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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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/NC_045512.2-160eed91/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/NC_045512.2-160eed91/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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -1443.882426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.882426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.527743 (E_RNA)
where:
Base-Base interactions energy: -947.186
where: short stacking energy: -391.638
Base-Backbone interact. energy: 2.196
local terms energy: -537.537772
where:
bonds (distance) C4'-P energy: -130.136
bonds (distance) P-C4' energy: -117.892
flat angles C4'-P-C4' energy: -142.935
flat angles P-C4'-P energy: -76.193
tors. eta vs tors. theta energy: -70.382
Dist. restrs. and SS energy: 38.645 (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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1373.662301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.662301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.358581 (E_RNA)
where:
Base-Base interactions energy: -943.966
where: short stacking energy: -394.812
Base-Backbone interact. energy: 2.637
local terms energy: -477.029314
where:
bonds (distance) C4'-P energy: -113.305
bonds (distance) P-C4' energy: -130.263
flat angles C4'-P-C4' energy: -125.808
flat angles P-C4'-P energy: -41.641
tors. eta vs tors. theta energy: -66.012
Dist. restrs. and SS energy: 44.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1579.579637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.579637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.348129 (E_RNA)
where:
Base-Base interactions energy: -1023.311
where: short stacking energy: -432.973
Base-Backbone interact. energy: 1.839
local terms energy: -585.876546
where:
bonds (distance) C4'-P energy: -135.249
bonds (distance) P-C4' energy: -146.866
flat angles C4'-P-C4' energy: -129.093
flat angles P-C4'-P energy: -83.647
tors. eta vs tors. theta energy: -91.023
Dist. restrs. and SS energy: 27.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1400.413242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.413242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.222043 (E_RNA)
where:
Base-Base interactions energy: -911.830
where: short stacking energy: -364.665
Base-Backbone interact. energy: -1.199
local terms energy: -528.192956
where:
bonds (distance) C4'-P energy: -130.580
bonds (distance) P-C4' energy: -121.900
flat angles C4'-P-C4' energy: -130.985
flat angles P-C4'-P energy: -77.003
tors. eta vs tors. theta energy: -67.726
Dist. restrs. and SS energy: 40.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1583.449587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.449587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.693511 (E_RNA)
where:
Base-Base interactions energy: -1065.734
where: short stacking energy: -450.609
Base-Backbone interact. energy: 0.392
local terms energy: -550.351707
where:
bonds (distance) C4'-P energy: -104.147
bonds (distance) P-C4' energy: -134.183
flat angles C4'-P-C4' energy: -122.283
flat angles P-C4'-P energy: -80.237
tors. eta vs tors. theta energy: -109.501
Dist. restrs. and SS energy: 32.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1516.574110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.574110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.703722 (E_RNA)
where:
Base-Base interactions energy: -1015.562
where: short stacking energy: -423.016
Base-Backbone interact. energy: 0.917
local terms energy: -523.058860
where:
bonds (distance) C4'-P energy: -131.669
bonds (distance) P-C4' energy: -139.650
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -65.190
tors. eta vs tors. theta energy: -81.348
Dist. restrs. and SS energy: 21.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1688.517272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.517272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.828976 (E_RNA)
where:
Base-Base interactions energy: -1112.372
where: short stacking energy: -465.914
Base-Backbone interact. energy: 3.327
local terms energy: -598.784749
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -143.731
flat angles C4'-P-C4' energy: -142.581
flat angles P-C4'-P energy: -82.214
tors. eta vs tors. theta energy: -94.390
Dist. restrs. and SS energy: 19.312 (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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1596.834256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.834256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.422169 (E_RNA)
where:
Base-Base interactions energy: -1110.293
where: short stacking energy: -452.606
Base-Backbone interact. energy: 7.962
local terms energy: -512.091552
where:
bonds (distance) C4'-P energy: -100.763
bonds (distance) P-C4' energy: -128.582
flat angles C4'-P-C4' energy: -112.165
flat angles P-C4'-P energy: -82.607
tors. eta vs tors. theta energy: -87.975
Dist. restrs. and SS energy: 17.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2116.996704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.025880 (E_RNA)
where:
Base-Base interactions energy: -1395.360
where: short stacking energy: -629.685
Base-Backbone interact. energy: 2.763
local terms energy: -748.429037
where:
bonds (distance) C4'-P energy: -158.771
bonds (distance) P-C4' energy: -154.748
flat angles C4'-P-C4' energy: -163.738
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -157.822
Dist. restrs. and SS energy: 24.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -2113.754562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.754562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.450491 (E_RNA)
where:
Base-Base interactions energy: -1383.969
where: short stacking energy: -627.994
Base-Backbone interact. energy: -2.557
local terms energy: -744.924805
where:
bonds (distance) C4'-P energy: -158.191
bonds (distance) P-C4' energy: -152.911
flat angles C4'-P-C4' energy: -160.736
flat angles P-C4'-P energy: -102.856
tors. eta vs tors. theta energy: -170.230
Dist. restrs. and SS energy: 17.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: -1688.963076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.963076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.577283 (E_RNA)
where:
Base-Base interactions energy: -1130.164
where: short stacking energy: -475.398
Base-Backbone interact. energy: -1.575
local terms energy: -570.838238
where:
bonds (distance) C4'-P energy: -134.806
bonds (distance) P-C4' energy: -126.089
flat angles C4'-P-C4' energy: -130.863
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -96.398
Dist. restrs. and SS energy: 13.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1603.124887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.124887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.960276 (E_RNA)
where:
Base-Base interactions energy: -1108.005
where: short stacking energy: -436.316
Base-Backbone interact. energy: -2.624
local terms energy: -503.332016
where:
bonds (distance) C4'-P energy: -104.233
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -121.405
flat angles P-C4'-P energy: -64.671
tors. eta vs tors. theta energy: -79.612
Dist. restrs. and SS energy: 10.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -2101.753987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.753987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.862338 (E_RNA)
where:
Base-Base interactions energy: -1378.351
where: short stacking energy: -640.080
Base-Backbone interact. energy: 8.796
local terms energy: -757.307111
where:
bonds (distance) C4'-P energy: -150.303
bonds (distance) P-C4' energy: -170.765
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -118.112
tors. eta vs tors. theta energy: -158.748
Dist. restrs. and SS energy: 25.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2160.903726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.903726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.582858 (E_RNA)
where:
Base-Base interactions energy: -1443.559
where: short stacking energy: -634.709
Base-Backbone interact. energy: -0.943
local terms energy: -729.081601
where:
bonds (distance) C4'-P energy: -152.575
bonds (distance) P-C4' energy: -157.190
flat angles C4'-P-C4' energy: -150.510
flat angles P-C4'-P energy: -96.128
tors. eta vs tors. theta energy: -172.679
Dist. restrs. and SS energy: 12.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -2099.092368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.092368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.541242 (E_RNA)
where:
Base-Base interactions energy: -1389.838
where: short stacking energy: -613.087
Base-Backbone interact. energy: -1.347
local terms energy: -715.356951
where:
bonds (distance) C4'-P energy: -158.252
bonds (distance) P-C4' energy: -139.850
flat angles C4'-P-C4' energy: -159.773
flat angles P-C4'-P energy: -91.739
tors. eta vs tors. theta energy: -165.743
Dist. restrs. and SS energy: 7.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: -1726.088821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.088821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.877362 (E_RNA)
where:
Base-Base interactions energy: -1182.532
where: short stacking energy: -476.226
Base-Backbone interact. energy: -1.219
local terms energy: -554.126994
where:
bonds (distance) C4'-P energy: -128.940
bonds (distance) P-C4' energy: -120.531
flat angles C4'-P-C4' energy: -129.570
flat angles P-C4'-P energy: -88.755
tors. eta vs tors. theta energy: -86.331
Dist. restrs. and SS energy: 11.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1588.804552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.804552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.646185 (E_RNA)
where:
Base-Base interactions energy: -1070.088
where: short stacking energy: -457.043
Base-Backbone interact. energy: 1.783
local terms energy: -544.341439
where:
bonds (distance) C4'-P energy: -109.474
bonds (distance) P-C4' energy: -140.629
flat angles C4'-P-C4' energy: -125.300
flat angles P-C4'-P energy: -79.576
tors. eta vs tors. theta energy: -89.362
Dist. restrs. and SS energy: 23.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -2206.953851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.953851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.550486 (E_RNA)
where:
Base-Base interactions energy: -1459.120
where: short stacking energy: -647.206
Base-Backbone interact. energy: -3.625
local terms energy: -759.805553
where:
bonds (distance) C4'-P energy: -156.215
bonds (distance) P-C4' energy: -162.057
flat angles C4'-P-C4' energy: -163.515
flat angles P-C4'-P energy: -108.923
tors. eta vs tors. theta energy: -169.095
Dist. restrs. and SS energy: 15.597 (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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2079.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.921998 (E_RNA)
where:
Base-Base interactions energy: -1355.062
where: short stacking energy: -613.842
Base-Backbone interact. energy: -0.938
local terms energy: -743.921484
where:
bonds (distance) C4'-P energy: -139.789
bonds (distance) P-C4' energy: -162.298
flat angles C4'-P-C4' energy: -170.594
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -169.531
Dist. restrs. and SS energy: 20.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -2036.864193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.864193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.460451 (E_RNA)
where:
Base-Base interactions energy: -1334.178
where: short stacking energy: -598.134
Base-Backbone interact. energy: -3.691
local terms energy: -707.591858
where:
bonds (distance) C4'-P energy: -126.291
bonds (distance) P-C4' energy: -148.193
flat angles C4'-P-C4' energy: -168.909
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -161.695
Dist. restrs. and SS energy: 8.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: -1745.128342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.128342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.846970 (E_RNA)
where:
Base-Base interactions energy: -1195.885
where: short stacking energy: -476.078
Base-Backbone interact. energy: 6.310
local terms energy: -564.272231
where:
bonds (distance) C4'-P energy: -114.835
bonds (distance) P-C4' energy: -129.308
flat angles C4'-P-C4' energy: -129.570
flat angles P-C4'-P energy: -78.308
tors. eta vs tors. theta energy: -112.251
Dist. restrs. and SS energy: 8.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1720.977660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.977660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.620255 (E_RNA)
where:
Base-Base interactions energy: -1185.278
where: short stacking energy: -501.460
Base-Backbone interact. energy: -0.054
local terms energy: -553.288672
where:
bonds (distance) C4'-P energy: -111.905
bonds (distance) P-C4' energy: -120.051
flat angles C4'-P-C4' energy: -128.101
flat angles P-C4'-P energy: -73.502
tors. eta vs tors. theta energy: -119.730
Dist. restrs. and SS energy: 17.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -2307.279194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.279194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.961337 (E_RNA)
where:
Base-Base interactions energy: -1513.384
where: short stacking energy: -690.165
Base-Backbone interact. energy: -3.379
local terms energy: -800.197861
where:
bonds (distance) C4'-P energy: -160.487
bonds (distance) P-C4' energy: -162.023
flat angles C4'-P-C4' energy: -174.673
flat angles P-C4'-P energy: -109.969
tors. eta vs tors. theta energy: -193.046
Dist. restrs. and SS energy: 9.682 (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: 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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2230.351196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.351196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.680535 (E_RNA)
where:
Base-Base interactions energy: -1453.820
where: short stacking energy: -663.224
Base-Backbone interact. energy: -3.682
local terms energy: -776.178057
where:
bonds (distance) C4'-P energy: -151.040
bonds (distance) P-C4' energy: -145.531
flat angles C4'-P-C4' energy: -188.605
flat angles P-C4'-P energy: -116.073
tors. eta vs tors. theta energy: -174.929
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2064.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.855254 (E_RNA)
where:
Base-Base interactions energy: -1379.090
where: short stacking energy: -606.663
Base-Backbone interact. energy: -0.456
local terms energy: -692.308855
where:
bonds (distance) C4'-P energy: -140.398
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -157.223
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -156.322
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2091.792700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.181596 (E_RNA)
where:
Base-Base interactions energy: -1406.217
where: short stacking energy: -612.954
Base-Backbone interact. energy: 3.113
local terms energy: -698.077504
where:
bonds (distance) C4'-P energy: -136.282
bonds (distance) P-C4' energy: -149.866
flat angles C4'-P-C4' energy: -150.678
flat angles P-C4'-P energy: -112.893
tors. eta vs tors. theta energy: -148.359
Dist. restrs. and SS energy: 9.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -1788.575249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.575249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.292925 (E_RNA)
where:
Base-Base interactions energy: -1222.847
where: short stacking energy: -511.299
Base-Backbone interact. energy: -3.382
local terms energy: -571.064524
where:
bonds (distance) C4'-P energy: -121.195
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -108.227
flat angles P-C4'-P energy: -85.733
tors. eta vs tors. theta energy: -109.050
Dist. restrs. and SS energy: 8.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: -1714.534582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.534582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.695539 (E_RNA)
where:
Base-Base interactions energy: -1152.497
where: short stacking energy: -502.378
Base-Backbone interact. energy: -2.307
local terms energy: -578.890695
where:
bonds (distance) C4'-P energy: -106.328
bonds (distance) P-C4' energy: -133.819
flat angles C4'-P-C4' energy: -128.442
flat angles P-C4'-P energy: -89.070
tors. eta vs tors. theta energy: -121.232
Dist. restrs. and SS energy: 19.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -2297.915225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.915225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.284600 (E_RNA)
where:
Base-Base interactions energy: -1511.775
where: short stacking energy: -698.562
Base-Backbone interact. energy: -3.850
local terms energy: -793.659919
where:
bonds (distance) C4'-P energy: -152.096
bonds (distance) P-C4' energy: -161.816
flat angles C4'-P-C4' energy: -175.501
flat angles P-C4'-P energy: -108.247
tors. eta vs tors. theta energy: -196.001
Dist. restrs. and SS energy: 11.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2301.947107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.947107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.171530 (E_RNA)
where:
Base-Base interactions energy: -1527.994
where: short stacking energy: -668.727
Base-Backbone interact. energy: -0.334
local terms energy: -781.843683
where:
bonds (distance) C4'-P energy: -139.757
bonds (distance) P-C4' energy: -172.852
flat angles C4'-P-C4' energy: -178.199
flat angles P-C4'-P energy: -109.411
tors. eta vs tors. theta energy: -181.624
Dist. restrs. and SS energy: 8.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2105.831078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.940378 (E_RNA)
where:
Base-Base interactions energy: -1430.954
where: short stacking energy: -622.112
Base-Backbone interact. energy: 1.580
local terms energy: -708.567054
where:
bonds (distance) C4'-P energy: -130.489
bonds (distance) P-C4' energy: -160.802
flat angles C4'-P-C4' energy: -163.453
flat angles P-C4'-P energy: -85.677
tors. eta vs tors. theta energy: -168.145
Dist. restrs. and SS energy: 32.109 (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: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2136.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.005640 (E_RNA)
where:
Base-Base interactions energy: -1452.236
where: short stacking energy: -615.669
Base-Backbone interact. energy: 4.875
local terms energy: -702.644276
where:
bonds (distance) C4'-P energy: -146.248
bonds (distance) P-C4' energy: -149.108
flat angles C4'-P-C4' energy: -157.431
flat angles P-C4'-P energy: -94.202
tors. eta vs tors. theta energy: -155.655
Dist. restrs. and SS energy: 13.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -2018.480481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.480481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.427604 (E_RNA)
where:
Base-Base interactions energy: -1353.398
where: short stacking energy: -612.292
Base-Backbone interact. energy: 1.226
local terms energy: -686.255233
where:
bonds (distance) C4'-P energy: -127.310
bonds (distance) P-C4' energy: -149.711
flat angles C4'-P-C4' energy: -174.308
flat angles P-C4'-P energy: -89.246
tors. eta vs tors. theta energy: -145.680
Dist. restrs. and SS energy: 19.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: -1840.212992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.212992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.297789 (E_RNA)
where:
Base-Base interactions energy: -1215.102
where: short stacking energy: -519.876
Base-Backbone interact. energy: -1.713
local terms energy: -635.482276
where:
bonds (distance) C4'-P energy: -118.949
bonds (distance) P-C4' energy: -147.961
flat angles C4'-P-C4' energy: -152.090
flat angles P-C4'-P energy: -94.467
tors. eta vs tors. theta energy: -122.015
Dist. restrs. and SS energy: 12.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1821.415484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.887709 (E_RNA)
where:
Base-Base interactions energy: -1193.336
where: short stacking energy: -501.657
Base-Backbone interact. energy: -3.056
local terms energy: -632.495302
where:
bonds (distance) C4'-P energy: -136.656
bonds (distance) P-C4' energy: -147.766
flat angles C4'-P-C4' energy: -135.929
flat angles P-C4'-P energy: -80.271
tors. eta vs tors. theta energy: -131.873
Dist. restrs. and SS energy: 7.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2424.103882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.103882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.670658 (E_RNA)
where:
Base-Base interactions energy: -1605.643
where: short stacking energy: -706.795
Base-Backbone interact. energy: -2.368
local terms energy: -818.660228
where:
bonds (distance) C4'-P energy: -161.705
bonds (distance) P-C4' energy: -159.801
flat angles C4'-P-C4' energy: -174.318
flat angles P-C4'-P energy: -113.866
tors. eta vs tors. theta energy: -208.970
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: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2272.091281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.091281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.150299 (E_RNA)
where:
Base-Base interactions energy: -1507.383
where: short stacking energy: -691.149
Base-Backbone interact. energy: 2.438
local terms energy: -776.205825
where:
bonds (distance) C4'-P energy: -141.307
bonds (distance) P-C4' energy: -156.281
flat angles C4'-P-C4' energy: -179.029
flat angles P-C4'-P energy: -105.667
tors. eta vs tors. theta energy: -193.922
Dist. restrs. and SS energy: 9.059 (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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2131.753077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.753077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.185529 (E_RNA)
where:
Base-Base interactions energy: -1404.241
where: short stacking energy: -660.469
Base-Backbone interact. energy: -1.761
local terms energy: -744.184367
where:
bonds (distance) C4'-P energy: -146.340
bonds (distance) P-C4' energy: -157.574
flat angles C4'-P-C4' energy: -155.856
flat angles P-C4'-P energy: -105.157
tors. eta vs tors. theta energy: -179.258
Dist. restrs. and SS energy: 18.432 (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: 15
Temperature: 1.100000
Total energy: -2183.101190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.101190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.879012 (E_RNA)
where:
Base-Base interactions energy: -1486.596
where: short stacking energy: -662.439
Base-Backbone interact. energy: 7.426
local terms energy: -716.709498
where:
bonds (distance) C4'-P energy: -133.548
bonds (distance) P-C4' energy: -143.544
flat angles C4'-P-C4' energy: -146.341
flat angles P-C4'-P energy: -107.989
tors. eta vs tors. theta energy: -185.288
Dist. restrs. and SS energy: 12.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -2011.488385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.488385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.312412 (E_RNA)
where:
Base-Base interactions energy: -1394.245
where: short stacking energy: -582.623
Base-Backbone interact. energy: -2.688
local terms energy: -630.379193
where:
bonds (distance) C4'-P energy: -134.684
bonds (distance) P-C4' energy: -145.751
flat angles C4'-P-C4' energy: -130.284
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -137.661
Dist. restrs. and SS energy: 15.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: -1880.413968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.413968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.482237 (E_RNA)
where:
Base-Base interactions energy: -1252.272
where: short stacking energy: -548.680
Base-Backbone interact. energy: 2.901
local terms energy: -635.112055
where:
bonds (distance) C4'-P energy: -149.079
bonds (distance) P-C4' energy: -136.340
flat angles C4'-P-C4' energy: -137.021
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -130.498
Dist. restrs. and SS energy: 4.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1850.136931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.136931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.478372 (E_RNA)
where:
Base-Base interactions energy: -1222.594
where: short stacking energy: -519.572
Base-Backbone interact. energy: -0.668
local terms energy: -637.216419
where:
bonds (distance) C4'-P energy: -132.796
bonds (distance) P-C4' energy: -144.454
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -87.659
tors. eta vs tors. theta energy: -130.551
Dist. restrs. and SS energy: 10.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2401.284650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.284650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.007038 (E_RNA)
where:
Base-Base interactions energy: -1606.454
where: short stacking energy: -691.945
Base-Backbone interact. energy: -2.663
local terms energy: -793.889997
where:
bonds (distance) C4'-P energy: -154.942
bonds (distance) P-C4' energy: -153.868
flat angles C4'-P-C4' energy: -177.790
flat angles P-C4'-P energy: -110.326
tors. eta vs tors. theta energy: -196.964
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: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2271.671104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.671104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.428533 (E_RNA)
where:
Base-Base interactions energy: -1505.144
where: short stacking energy: -689.172
Base-Backbone interact. energy: 0.869
local terms energy: -777.152914
where:
bonds (distance) C4'-P energy: -141.132
bonds (distance) P-C4' energy: -165.538
flat angles C4'-P-C4' energy: -173.644
flat angles P-C4'-P energy: -111.873
tors. eta vs tors. theta energy: -184.965
Dist. restrs. and SS energy: 9.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2090.819111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.819111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.322420 (E_RNA)
where:
Base-Base interactions energy: -1396.766
where: short stacking energy: -631.847
Base-Backbone interact. energy: 0.054
local terms energy: -717.610177
where:
bonds (distance) C4'-P energy: -122.714
bonds (distance) P-C4' energy: -160.192
flat angles C4'-P-C4' energy: -159.156
flat angles P-C4'-P energy: -106.740
tors. eta vs tors. theta energy: -168.808
Dist. restrs. and SS energy: 23.503 (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: 16
Temperature: 1.100000
Total energy: -2191.656685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.656685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.234045 (E_RNA)
where:
Base-Base interactions energy: -1500.055
where: short stacking energy: -623.746
Base-Backbone interact. energy: 3.745
local terms energy: -700.924074
where:
bonds (distance) C4'-P energy: -136.840
bonds (distance) P-C4' energy: -138.858
flat angles C4'-P-C4' energy: -152.192
flat angles P-C4'-P energy: -113.344
tors. eta vs tors. theta energy: -159.691
Dist. restrs. and SS energy: 5.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1958.588849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.588849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.458409 (E_RNA)
where:
Base-Base interactions energy: -1322.262
where: short stacking energy: -569.236
Base-Backbone interact. energy: 6.223
local terms energy: -653.419046
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -135.949
flat angles C4'-P-C4' energy: -141.289
flat angles P-C4'-P energy: -105.125
tors. eta vs tors. theta energy: -136.504
Dist. restrs. and SS energy: 10.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1959.952930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.952930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.488907 (E_RNA)
where:
Base-Base interactions energy: -1298.479
where: short stacking energy: -540.888
Base-Backbone interact. energy: -1.663
local terms energy: -663.347081
where:
bonds (distance) C4'-P energy: -136.461
bonds (distance) P-C4' energy: -135.231
flat angles C4'-P-C4' energy: -148.456
flat angles P-C4'-P energy: -100.993
tors. eta vs tors. theta energy: -142.206
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: 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: -1771.669873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.669873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.706425 (E_RNA)
where:
Base-Base interactions energy: -1216.897
where: short stacking energy: -512.099
Base-Backbone interact. energy: -1.691
local terms energy: -564.117730
where:
bonds (distance) C4'-P energy: -120.196
bonds (distance) P-C4' energy: -141.229
flat angles C4'-P-C4' energy: -108.816
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -125.127
Dist. restrs. and SS energy: 11.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2459.209989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.209989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.953486 (E_RNA)
where:
Base-Base interactions energy: -1631.486
where: short stacking energy: -734.780
Base-Backbone interact. energy: -2.350
local terms energy: -828.117240
where:
bonds (distance) C4'-P energy: -169.000
bonds (distance) P-C4' energy: -158.655
flat angles C4'-P-C4' energy: -185.720
flat angles P-C4'-P energy: -123.716
tors. eta vs tors. theta energy: -191.027
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: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2293.747338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.747338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.261151 (E_RNA)
where:
Base-Base interactions energy: -1518.814
where: short stacking energy: -718.558
Base-Backbone interact. energy: -0.138
local terms energy: -784.308886
where:
bonds (distance) C4'-P energy: -152.010
bonds (distance) P-C4' energy: -153.559
flat angles C4'-P-C4' energy: -171.451
flat angles P-C4'-P energy: -113.635
tors. eta vs tors. theta energy: -193.653
Dist. restrs. and SS energy: 9.514 (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: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2265.256191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.256191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.353847 (E_RNA)
where:
Base-Base interactions energy: -1502.120
where: short stacking energy: -667.205
Base-Backbone interact. energy: -3.340
local terms energy: -767.893622
where:
bonds (distance) C4'-P energy: -146.894
bonds (distance) P-C4' energy: -167.049
flat angles C4'-P-C4' energy: -169.193
flat angles P-C4'-P energy: -105.451
tors. eta vs tors. theta energy: -179.307
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2013.318780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.318780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.683034 (E_RNA)
where:
Base-Base interactions energy: -1353.200
where: short stacking energy: -605.640
Base-Backbone interact. energy: 0.665
local terms energy: -690.147896
where:
bonds (distance) C4'-P energy: -149.961
bonds (distance) P-C4' energy: -138.019
flat angles C4'-P-C4' energy: -159.251
flat angles P-C4'-P energy: -90.057
tors. eta vs tors. theta energy: -152.859
Dist. restrs. and SS energy: 29.364 (S_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: -2078.176245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.176245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.268744 (E_RNA)
where:
Base-Base interactions energy: -1402.088
where: short stacking energy: -611.278
Base-Backbone interact. energy: 1.831
local terms energy: -681.012069
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -142.640
flat angles C4'-P-C4' energy: -157.151
flat angles P-C4'-P energy: -100.567
tors. eta vs tors. theta energy: -159.362
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: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1942.579927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.579927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.610365 (E_RNA)
where:
Base-Base interactions energy: -1324.530
where: short stacking energy: -529.962
Base-Backbone interact. energy: -0.194
local terms energy: -622.886153
where:
bonds (distance) C4'-P energy: -125.788
bonds (distance) P-C4' energy: -136.467
flat angles C4'-P-C4' energy: -148.680
flat angles P-C4'-P energy: -82.253
tors. eta vs tors. theta energy: -129.699
Dist. restrs. and SS energy: 5.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: -1793.244785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.244785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.412431 (E_RNA)
where:
Base-Base interactions energy: -1229.047
where: short stacking energy: -506.149
Base-Backbone interact. energy: -5.207
local terms energy: -564.158921
where:
bonds (distance) C4'-P energy: -109.250
bonds (distance) P-C4' energy: -121.848
flat angles C4'-P-C4' energy: -143.514
flat angles P-C4'-P energy: -76.065
tors. eta vs tors. theta energy: -113.483
Dist. restrs. and SS energy: 5.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2494.670006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.670006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.744128 (E_RNA)
where:
Base-Base interactions energy: -1702.579
where: short stacking energy: -775.320
Base-Backbone interact. energy: 4.697
local terms energy: -800.862105
where:
bonds (distance) C4'-P energy: -148.370
bonds (distance) P-C4' energy: -157.943
flat angles C4'-P-C4' energy: -179.963
flat angles P-C4'-P energy: -111.643
tors. eta vs tors. theta energy: -202.942
Dist. restrs. and SS energy: 4.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2334.579967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.579967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.210862 (E_RNA)
where:
Base-Base interactions energy: -1561.461
where: short stacking energy: -686.712
Base-Backbone interact. energy: -1.790
local terms energy: -776.959867
where:
bonds (distance) C4'-P energy: -152.399
bonds (distance) P-C4' energy: -158.303
flat angles C4'-P-C4' energy: -160.879
flat angles P-C4'-P energy: -114.093
tors. eta vs tors. theta energy: -191.285
Dist. restrs. and SS energy: 5.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2344.672131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.672131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.184607 (E_RNA)
where:
Base-Base interactions energy: -1553.125
where: short stacking energy: -701.538
Base-Backbone interact. energy: 0.052
local terms energy: -799.112214
where:
bonds (distance) C4'-P energy: -150.249
bonds (distance) P-C4' energy: -149.549
flat angles C4'-P-C4' energy: -180.815
flat angles P-C4'-P energy: -104.842
tors. eta vs tors. theta energy: -213.657
Dist. restrs. and SS energy: 7.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2070.568221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.568221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.413402 (E_RNA)
where:
Base-Base interactions energy: -1370.232
where: short stacking energy: -610.364
Base-Backbone interact. energy: -0.652
local terms energy: -723.529613
where:
bonds (distance) C4'-P energy: -142.159
bonds (distance) P-C4' energy: -157.596
flat angles C4'-P-C4' energy: -162.368
flat angles P-C4'-P energy: -98.498
tors. eta vs tors. theta energy: -162.909
Dist. restrs. and SS energy: 23.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -2081.959228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.959228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.019772 (E_RNA)
where:
Base-Base interactions energy: -1385.397
where: short stacking energy: -588.068
Base-Backbone interact. energy: 2.397
local terms energy: -701.019345
where:
bonds (distance) C4'-P energy: -153.411
bonds (distance) P-C4' energy: -139.363
flat angles C4'-P-C4' energy: -153.564
flat angles P-C4'-P energy: -103.785
tors. eta vs tors. theta energy: -150.896
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: 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: -1872.491714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.491714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.093121 (E_RNA)
where:
Base-Base interactions energy: -1241.804
where: short stacking energy: -542.387
Base-Backbone interact. energy: -3.131
local terms energy: -636.158035
where:
bonds (distance) C4'-P energy: -141.945
bonds (distance) P-C4' energy: -140.090
flat angles C4'-P-C4' energy: -145.803
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -135.857
Dist. restrs. and SS energy: 8.601 (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: 18
Temperature: 1.300000
Total energy: -1863.823297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.823297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.261719 (E_RNA)
where:
Base-Base interactions energy: -1233.289
where: short stacking energy: -526.864
Base-Backbone interact. energy: 1.641
local terms energy: -642.614116
where:
bonds (distance) C4'-P energy: -135.705
bonds (distance) P-C4' energy: -143.042
flat angles C4'-P-C4' energy: -121.183
flat angles P-C4'-P energy: -101.652
tors. eta vs tors. theta energy: -141.033
Dist. restrs. and SS energy: 10.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1875.411114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.411114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.679747 (E_RNA)
where:
Base-Base interactions energy: -1268.328
where: short stacking energy: -551.919
Base-Backbone interact. energy: -0.241
local terms energy: -612.110623
where:
bonds (distance) C4'-P energy: -121.823
bonds (distance) P-C4' energy: -136.601
flat angles C4'-P-C4' energy: -143.744
flat angles P-C4'-P energy: -75.323
tors. eta vs tors. theta energy: -134.619
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: 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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2482.983608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.983608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.572441 (E_RNA)
where:
Base-Base interactions energy: -1663.328
where: short stacking energy: -754.585
Base-Backbone interact. energy: 1.076
local terms energy: -824.319979
where:
bonds (distance) C4'-P energy: -159.220
bonds (distance) P-C4' energy: -159.648
flat angles C4'-P-C4' energy: -175.418
flat angles P-C4'-P energy: -117.873
tors. eta vs tors. theta energy: -212.161
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2301.512653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.512653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.299158 (E_RNA)
where:
Base-Base interactions energy: -1538.451
where: short stacking energy: -678.240
Base-Backbone interact. energy: -0.667
local terms energy: -769.181013
where:
bonds (distance) C4'-P energy: -145.706
bonds (distance) P-C4' energy: -160.870
flat angles C4'-P-C4' energy: -160.996
flat angles P-C4'-P energy: -106.560
tors. eta vs tors. theta energy: -195.049
Dist. restrs. and SS energy: 6.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2328.816417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.816417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.787138 (E_RNA)
where:
Base-Base interactions energy: -1561.150
where: short stacking energy: -683.730
Base-Backbone interact. energy: -1.447
local terms energy: -772.190392
where:
bonds (distance) C4'-P energy: -139.864
bonds (distance) P-C4' energy: -146.929
flat angles C4'-P-C4' energy: -179.152
flat angles P-C4'-P energy: -107.221
tors. eta vs tors. theta energy: -199.024
Dist. restrs. and SS energy: 5.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2038.399546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.399546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.821337 (E_RNA)
where:
Base-Base interactions energy: -1347.272
where: short stacking energy: -574.365
Base-Backbone interact. energy: -2.146
local terms energy: -704.402888
where:
bonds (distance) C4'-P energy: -145.798
bonds (distance) P-C4' energy: -165.906
flat angles C4'-P-C4' energy: -150.779
flat angles P-C4'-P energy: -93.231
tors. eta vs tors. theta energy: -148.689
Dist. restrs. and SS energy: 15.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -2037.522639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.522639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.890106 (E_RNA)
where:
Base-Base interactions energy: -1367.083
where: short stacking energy: -570.221
Base-Backbone interact. energy: -1.511
local terms energy: -672.295671
where:
bonds (distance) C4'-P energy: -154.284
bonds (distance) P-C4' energy: -146.782
flat angles C4'-P-C4' energy: -126.106
flat angles P-C4'-P energy: -91.830
tors. eta vs tors. theta energy: -153.293
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: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1922.389068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.389068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.636529 (E_RNA)
where:
Base-Base interactions energy: -1293.432
where: short stacking energy: -555.819
Base-Backbone interact. energy: -3.131
local terms energy: -633.073690
where:
bonds (distance) C4'-P energy: -114.813
bonds (distance) P-C4' energy: -137.865
flat angles C4'-P-C4' energy: -132.110
flat angles P-C4'-P energy: -105.015
tors. eta vs tors. theta energy: -143.271
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: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1851.188950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.188950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.421554 (E_RNA)
where:
Base-Base interactions energy: -1251.961
where: short stacking energy: -552.062
Base-Backbone interact. energy: 0.034
local terms energy: -611.493738
where:
bonds (distance) C4'-P energy: -122.133
bonds (distance) P-C4' energy: -135.006
flat angles C4'-P-C4' energy: -139.661
flat angles P-C4'-P energy: -88.611
tors. eta vs tors. theta energy: -126.083
Dist. restrs. and SS energy: 12.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1846.265591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.265591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.686384 (E_RNA)
where:
Base-Base interactions energy: -1252.692
where: short stacking energy: -522.086
Base-Backbone interact. energy: 2.981
local terms energy: -599.975092
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -132.665
flat angles C4'-P-C4' energy: -138.477
flat angles P-C4'-P energy: -81.705
tors. eta vs tors. theta energy: -127.551
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: 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: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2444.735510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.735510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.704370 (E_RNA)
where:
Base-Base interactions energy: -1668.362
where: short stacking energy: -719.786
Base-Backbone interact. energy: -3.563
local terms energy: -775.779421
where:
bonds (distance) C4'-P energy: -151.233
bonds (distance) P-C4' energy: -145.608
flat angles C4'-P-C4' energy: -175.623
flat angles P-C4'-P energy: -109.200
tors. eta vs tors. theta energy: -194.116
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2307.080220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.080220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.465822 (E_RNA)
where:
Base-Base interactions energy: -1527.523
where: short stacking energy: -678.603
Base-Backbone interact. energy: -2.316
local terms energy: -783.627417
where:
bonds (distance) C4'-P energy: -153.056
bonds (distance) P-C4' energy: -162.924
flat angles C4'-P-C4' energy: -165.655
flat angles P-C4'-P energy: -107.258
tors. eta vs tors. theta energy: -194.734
Dist. restrs. and SS energy: 6.386 (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: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2332.919897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.919897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.538260 (E_RNA)
where:
Base-Base interactions energy: -1585.517
where: short stacking energy: -698.524
Base-Backbone interact. energy: 5.110
local terms energy: -760.131239
where:
bonds (distance) C4'-P energy: -146.035
bonds (distance) P-C4' energy: -165.523
flat angles C4'-P-C4' energy: -158.336
flat angles P-C4'-P energy: -94.391
tors. eta vs tors. theta energy: -195.847
Dist. restrs. and SS energy: 7.618 (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: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2152.461109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.461109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.445456 (E_RNA)
where:
Base-Base interactions energy: -1440.308
where: short stacking energy: -593.397
Base-Backbone interact. energy: -1.246
local terms energy: -715.891534
where:
bonds (distance) C4'-P energy: -146.899
bonds (distance) P-C4' energy: -155.196
flat angles C4'-P-C4' energy: -150.152
flat angles P-C4'-P energy: -102.524
tors. eta vs tors. theta energy: -161.120
Dist. restrs. and SS energy: 4.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1981.224325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.224325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.408972 (E_RNA)
where:
Base-Base interactions energy: -1290.294
where: short stacking energy: -572.103
Base-Backbone interact. energy: -3.113
local terms energy: -709.001646
where:
bonds (distance) C4'-P energy: -142.423
bonds (distance) P-C4' energy: -152.892
flat angles C4'-P-C4' energy: -152.610
flat angles P-C4'-P energy: -97.800
tors. eta vs tors. theta energy: -163.276
Dist. restrs. and SS energy: 21.185 (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: 20
Temperature: 1.200000
Total energy: -2055.696612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.696612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.253674 (E_RNA)
where:
Base-Base interactions energy: -1381.945
where: short stacking energy: -584.950
Base-Backbone interact. energy: -0.905
local terms energy: -675.403147
where:
bonds (distance) C4'-P energy: -137.802
bonds (distance) P-C4' energy: -144.444
flat angles C4'-P-C4' energy: -146.597
flat angles P-C4'-P energy: -81.624
tors. eta vs tors. theta energy: -164.936
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: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1942.608514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.608514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.122381 (E_RNA)
where:
Base-Base interactions energy: -1299.111
where: short stacking energy: -563.680
Base-Backbone interact. energy: 1.622
local terms energy: -653.633715
where:
bonds (distance) C4'-P energy: -151.482
bonds (distance) P-C4' energy: -123.336
flat angles C4'-P-C4' energy: -136.438
flat angles P-C4'-P energy: -99.881
tors. eta vs tors. theta energy: -142.496
Dist. restrs. and SS energy: 8.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1880.360806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.360806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.803164 (E_RNA)
where:
Base-Base interactions energy: -1271.426
where: short stacking energy: -548.611
Base-Backbone interact. energy: -0.883
local terms energy: -612.494792
where:
bonds (distance) C4'-P energy: -128.608
bonds (distance) P-C4' energy: -126.532
flat angles C4'-P-C4' energy: -138.998
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -133.051
Dist. restrs. and SS energy: 4.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1826.543270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.543270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.983286 (E_RNA)
where:
Base-Base interactions energy: -1228.406
where: short stacking energy: -522.912
Base-Backbone interact. energy: -0.670
local terms energy: -605.907009
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -150.265
flat angles C4'-P-C4' energy: -132.663
flat angles P-C4'-P energy: -77.082
tors. eta vs tors. theta energy: -126.521
Dist. restrs. and SS energy: 8.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2535.921827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.921827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.974001 (E_RNA)
where:
Base-Base interactions energy: -1711.777
where: short stacking energy: -759.768
Base-Backbone interact. energy: -2.576
local terms energy: -825.621416
where:
bonds (distance) C4'-P energy: -164.265
bonds (distance) P-C4' energy: -157.480
flat angles C4'-P-C4' energy: -172.599
flat angles P-C4'-P energy: -110.889
tors. eta vs tors. theta energy: -220.389
Dist. restrs. and SS energy: 4.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2342.926654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.926654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.704148 (E_RNA)
where:
Base-Base interactions energy: -1581.003
where: short stacking energy: -696.496
Base-Backbone interact. energy: -1.762
local terms energy: -768.939381
where:
bonds (distance) C4'-P energy: -148.224
bonds (distance) P-C4' energy: -147.564
flat angles C4'-P-C4' energy: -176.162
flat angles P-C4'-P energy: -103.898
tors. eta vs tors. theta energy: -193.091
Dist. restrs. and SS energy: 8.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2301.838509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.838509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.958972 (E_RNA)
where:
Base-Base interactions energy: -1520.577
where: short stacking energy: -680.740
Base-Backbone interact. energy: -0.415
local terms energy: -786.966659
where:
bonds (distance) C4'-P energy: -170.061
bonds (distance) P-C4' energy: -139.385
flat angles C4'-P-C4' energy: -174.062
flat angles P-C4'-P energy: -103.222
tors. eta vs tors. theta energy: -200.237
Dist. restrs. and SS energy: 6.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2163.381187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.381187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.770386 (E_RNA)
where:
Base-Base interactions energy: -1430.690
where: short stacking energy: -608.099
Base-Backbone interact. energy: -2.061
local terms energy: -735.019859
where:
bonds (distance) C4'-P energy: -146.067
bonds (distance) P-C4' energy: -158.151
flat angles C4'-P-C4' energy: -164.845
flat angles P-C4'-P energy: -102.436
tors. eta vs tors. theta energy: -163.521
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2151.903346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.903346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.857541 (E_RNA)
where:
Base-Base interactions energy: -1429.492
where: short stacking energy: -613.521
Base-Backbone interact. energy: 9.712
local terms energy: -734.077699
where:
bonds (distance) C4'-P energy: -148.948
bonds (distance) P-C4' energy: -144.913
flat angles C4'-P-C4' energy: -174.252
flat angles P-C4'-P energy: -105.429
tors. eta vs tors. theta energy: -160.536
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1968.497964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.497964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.270118 (E_RNA)
where:
Base-Base interactions energy: -1306.501
where: short stacking energy: -552.036
Base-Backbone interact. energy: -0.883
local terms energy: -672.885876
where:
bonds (distance) C4'-P energy: -140.471
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -157.896
flat angles P-C4'-P energy: -102.362
tors. eta vs tors. theta energy: -134.915
Dist. restrs. and SS energy: 11.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1955.636206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.636206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.498469 (E_RNA)
where:
Base-Base interactions energy: -1288.870
where: short stacking energy: -548.087
Base-Backbone interact. energy: 0.549
local terms energy: -672.177286
where:
bonds (distance) C4'-P energy: -127.471
bonds (distance) P-C4' energy: -139.731
flat angles C4'-P-C4' energy: -164.472
flat angles P-C4'-P energy: -107.529
tors. eta vs tors. theta energy: -132.976
Dist. restrs. and SS energy: 4.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1830.408849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.408849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.246436 (E_RNA)
where:
Base-Base interactions energy: -1245.210
where: short stacking energy: -509.093
Base-Backbone interact. energy: 2.115
local terms energy: -595.150938
where:
bonds (distance) C4'-P energy: -134.218
bonds (distance) P-C4' energy: -133.004
flat angles C4'-P-C4' energy: -127.398
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -124.299
Dist. restrs. and SS energy: 7.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1860.569663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.569663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.109560 (E_RNA)
where:
Base-Base interactions energy: -1250.915
where: short stacking energy: -544.551
Base-Backbone interact. energy: -1.601
local terms energy: -612.593375
where:
bonds (distance) C4'-P energy: -124.598
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -114.558
flat angles P-C4'-P energy: -82.317
tors. eta vs tors. theta energy: -156.241
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: 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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2506.985393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.985393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.569475 (E_RNA)
where:
Base-Base interactions energy: -1699.508
where: short stacking energy: -745.630
Base-Backbone interact. energy: 0.772
local terms energy: -811.832939
where:
bonds (distance) C4'-P energy: -161.804
bonds (distance) P-C4' energy: -158.041
flat angles C4'-P-C4' energy: -161.955
flat angles P-C4'-P energy: -110.444
tors. eta vs tors. theta energy: -219.588
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2369.126419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.126419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.586284 (E_RNA)
where:
Base-Base interactions energy: -1558.466
where: short stacking energy: -659.596
Base-Backbone interact. energy: -4.235
local terms energy: -812.885419
where:
bonds (distance) C4'-P energy: -171.553
bonds (distance) P-C4' energy: -158.299
flat angles C4'-P-C4' energy: -168.044
flat angles P-C4'-P energy: -120.200
tors. eta vs tors. theta energy: -194.789
Dist. restrs. and SS energy: 6.460 (S_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: 22
Temperature: 1.050000
Total energy: -2349.962314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.962314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.226180 (E_RNA)
where:
Base-Base interactions energy: -1561.386
where: short stacking energy: -672.017
Base-Backbone interact. energy: 3.080
local terms energy: -795.920033
where:
bonds (distance) C4'-P energy: -149.958
bonds (distance) P-C4' energy: -154.829
flat angles C4'-P-C4' energy: -178.321
flat angles P-C4'-P energy: -117.416
tors. eta vs tors. theta energy: -195.398
Dist. restrs. and SS energy: 4.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2198.700166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.700166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.152515 (E_RNA)
where:
Base-Base interactions energy: -1492.330
where: short stacking energy: -627.843
Base-Backbone interact. energy: -2.657
local terms energy: -715.166052
where:
bonds (distance) C4'-P energy: -126.007
bonds (distance) P-C4' energy: -148.056
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -116.806
tors. eta vs tors. theta energy: -172.148
Dist. restrs. and SS energy: 11.452 (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: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2155.692724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.692724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.186929 (E_RNA)
where:
Base-Base interactions energy: -1442.933
where: short stacking energy: -613.557
Base-Backbone interact. energy: -0.145
local terms energy: -714.108673
where:
bonds (distance) C4'-P energy: -136.055
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -160.589
flat angles P-C4'-P energy: -98.426
tors. eta vs tors. theta energy: -183.043
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: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2041.067184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.067184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.128771 (E_RNA)
where:
Base-Base interactions energy: -1360.030
where: short stacking energy: -571.939
Base-Backbone interact. energy: 0.739
local terms energy: -684.837714
where:
bonds (distance) C4'-P energy: -139.173
bonds (distance) P-C4' energy: -137.126
flat angles C4'-P-C4' energy: -140.700
flat angles P-C4'-P energy: -115.143
tors. eta vs tors. theta energy: -152.696
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: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1869.355822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.355822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.696391 (E_RNA)
where:
Base-Base interactions energy: -1244.863
where: short stacking energy: -543.639
Base-Backbone interact. energy: 1.155
local terms energy: -641.988203
where:
bonds (distance) C4'-P energy: -121.647
bonds (distance) P-C4' energy: -141.787
flat angles C4'-P-C4' energy: -156.570
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -137.174
Dist. restrs. and SS energy: 16.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1889.540793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.540793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.482191 (E_RNA)
where:
Base-Base interactions energy: -1264.607
where: short stacking energy: -551.359
Base-Backbone interact. energy: -2.423
local terms energy: -628.452177
where:
bonds (distance) C4'-P energy: -119.704
bonds (distance) P-C4' energy: -130.994
flat angles C4'-P-C4' energy: -148.308
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -140.476
Dist. restrs. and SS energy: 5.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1840.550504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.550504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.270252 (E_RNA)
where:
Base-Base interactions energy: -1223.643
where: short stacking energy: -515.692
Base-Backbone interact. energy: -3.851
local terms energy: -627.776571
where:
bonds (distance) C4'-P energy: -123.974
bonds (distance) P-C4' energy: -128.635
flat angles C4'-P-C4' energy: -153.101
flat angles P-C4'-P energy: -89.782
tors. eta vs tors. theta energy: -132.286
Dist. restrs. and SS energy: 14.720 (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: 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: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2511.160940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.160940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.500820 (E_RNA)
where:
Base-Base interactions energy: -1686.756
where: short stacking energy: -737.508
Base-Backbone interact. energy: -0.697
local terms energy: -825.048629
where:
bonds (distance) C4'-P energy: -163.656
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -176.401
flat angles P-C4'-P energy: -122.307
tors. eta vs tors. theta energy: -207.882
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: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2389.635082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.635082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.535490 (E_RNA)
where:
Base-Base interactions energy: -1607.960
where: short stacking energy: -715.223
Base-Backbone interact. energy: -2.824
local terms energy: -784.751779
where:
bonds (distance) C4'-P energy: -150.901
bonds (distance) P-C4' energy: -139.312
flat angles C4'-P-C4' energy: -170.181
flat angles P-C4'-P energy: -121.051
tors. eta vs tors. theta energy: -203.307
Dist. restrs. and SS energy: 5.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2314.862386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.862386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.709620 (E_RNA)
where:
Base-Base interactions energy: -1538.410
where: short stacking energy: -653.020
Base-Backbone interact. energy: -1.863
local terms energy: -780.436950
where:
bonds (distance) C4'-P energy: -155.206
bonds (distance) P-C4' energy: -145.083
flat angles C4'-P-C4' energy: -184.797
flat angles P-C4'-P energy: -113.104
tors. eta vs tors. theta energy: -182.247
Dist. restrs. and SS energy: 5.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2279.264493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.264493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.945372 (E_RNA)
where:
Base-Base interactions energy: -1517.196
where: short stacking energy: -644.589
Base-Backbone interact. energy: -1.733
local terms energy: -769.016942
where:
bonds (distance) C4'-P energy: -154.855
bonds (distance) P-C4' energy: -149.821
flat angles C4'-P-C4' energy: -174.229
flat angles P-C4'-P energy: -108.534
tors. eta vs tors. theta energy: -181.578
Dist. restrs. and SS energy: 8.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2184.397684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.397684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.248023 (E_RNA)
where:
Base-Base interactions energy: -1451.167
where: short stacking energy: -632.615
Base-Backbone interact. energy: -2.657
local terms energy: -733.423746
where:
bonds (distance) C4'-P energy: -115.305
bonds (distance) P-C4' energy: -153.378
flat angles C4'-P-C4' energy: -175.981
flat angles P-C4'-P energy: -115.679
tors. eta vs tors. theta energy: -173.081
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2053.130407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.130407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.830963 (E_RNA)
where:
Base-Base interactions energy: -1384.195
where: short stacking energy: -588.819
Base-Backbone interact. energy: 2.968
local terms energy: -674.604725
where:
bonds (distance) C4'-P energy: -131.753
bonds (distance) P-C4' energy: -143.904
flat angles C4'-P-C4' energy: -155.166
flat angles P-C4'-P energy: -98.002
tors. eta vs tors. theta energy: -145.778
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1989.520112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.520112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.295726 (E_RNA)
where:
Base-Base interactions energy: -1294.807
where: short stacking energy: -578.564
Base-Backbone interact. energy: 2.641
local terms energy: -703.129885
where:
bonds (distance) C4'-P energy: -149.680
bonds (distance) P-C4' energy: -140.505
flat angles C4'-P-C4' energy: -149.983
flat angles P-C4'-P energy: -110.313
tors. eta vs tors. theta energy: -152.649
Dist. restrs. and SS energy: 5.776 (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: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1774.080412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.080412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.433261 (E_RNA)
where:
Base-Base interactions energy: -1198.861
where: short stacking energy: -523.654
Base-Backbone interact. energy: 7.583
local terms energy: -613.155266
where:
bonds (distance) C4'-P energy: -131.844
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -133.011
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -131.385
Dist. restrs. and SS energy: 30.353 (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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1893.307560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.012521 (E_RNA)
where:
Base-Base interactions energy: -1295.495
where: short stacking energy: -536.041
Base-Backbone interact. energy: -3.225
local terms energy: -599.293151
where:
bonds (distance) C4'-P energy: -118.477
bonds (distance) P-C4' energy: -125.955
flat angles C4'-P-C4' energy: -141.222
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -139.193
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: 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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2556.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.342786 (E_RNA)
where:
Base-Base interactions energy: -1715.181
where: short stacking energy: -762.221
Base-Backbone interact. energy: -0.132
local terms energy: -844.029732
where:
bonds (distance) C4'-P energy: -154.383
bonds (distance) P-C4' energy: -166.084
flat angles C4'-P-C4' energy: -181.881
flat angles P-C4'-P energy: -126.391
tors. eta vs tors. theta energy: -215.290
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: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2364.316912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.316912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.083201 (E_RNA)
where:
Base-Base interactions energy: -1564.703
where: short stacking energy: -688.041
Base-Backbone interact. energy: -3.910
local terms energy: -800.470671
where:
bonds (distance) C4'-P energy: -157.919
bonds (distance) P-C4' energy: -150.962
flat angles C4'-P-C4' energy: -175.190
flat angles P-C4'-P energy: -112.799
tors. eta vs tors. theta energy: -203.600
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: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2295.941469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.941469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.671833 (E_RNA)
where:
Base-Base interactions energy: -1516.656
where: short stacking energy: -674.395
Base-Backbone interact. energy: 2.885
local terms energy: -784.901446
where:
bonds (distance) C4'-P energy: -151.046
bonds (distance) P-C4' energy: -161.266
flat angles C4'-P-C4' energy: -161.535
flat angles P-C4'-P energy: -122.636
tors. eta vs tors. theta energy: -188.418
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: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2260.059377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.059377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.806138 (E_RNA)
where:
Base-Base interactions energy: -1516.108
where: short stacking energy: -658.366
Base-Backbone interact. energy: -3.485
local terms energy: -752.213203
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -144.849
flat angles C4'-P-C4' energy: -162.475
flat angles P-C4'-P energy: -107.142
tors. eta vs tors. theta energy: -197.187
Dist. restrs. and SS energy: 11.747 (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: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2143.557464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.557464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.625763 (E_RNA)
where:
Base-Base interactions energy: -1411.863
where: short stacking energy: -622.068
Base-Backbone interact. energy: -1.298
local terms energy: -733.463983
where:
bonds (distance) C4'-P energy: -149.604
bonds (distance) P-C4' energy: -149.956
flat angles C4'-P-C4' energy: -165.370
flat angles P-C4'-P energy: -110.067
tors. eta vs tors. theta energy: -158.467
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: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2062.797787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.797787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.183913 (E_RNA)
where:
Base-Base interactions energy: -1391.742
where: short stacking energy: -602.172
Base-Backbone interact. energy: 1.130
local terms energy: -676.571334
where:
bonds (distance) C4'-P energy: -131.145
bonds (distance) P-C4' energy: -141.508
flat angles C4'-P-C4' energy: -153.598
flat angles P-C4'-P energy: -82.927
tors. eta vs tors. theta energy: -167.394
Dist. restrs. and SS energy: 4.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -2086.785934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.785934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.445512 (E_RNA)
where:
Base-Base interactions energy: -1418.056
where: short stacking energy: -621.394
Base-Backbone interact. energy: 0.206
local terms energy: -670.594853
where:
bonds (distance) C4'-P energy: -123.533
bonds (distance) P-C4' energy: -129.373
flat angles C4'-P-C4' energy: -154.565
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -167.454
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: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1929.400371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.400371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.490119 (E_RNA)
where:
Base-Base interactions energy: -1297.840
where: short stacking energy: -558.957
Base-Backbone interact. energy: 0.568
local terms energy: -637.217644
where:
bonds (distance) C4'-P energy: -124.072
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -156.767
flat angles P-C4'-P energy: -93.576
tors. eta vs tors. theta energy: -133.619
Dist. restrs. and SS energy: 5.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1719.289584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.289584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.009642 (E_RNA)
where:
Base-Base interactions energy: -1166.844
where: short stacking energy: -486.460
Base-Backbone interact. energy: -4.218
local terms energy: -567.947974
where:
bonds (distance) C4'-P energy: -123.019
bonds (distance) P-C4' energy: -125.596
flat angles C4'-P-C4' energy: -136.744
flat angles P-C4'-P energy: -60.233
tors. eta vs tors. theta energy: -122.356
Dist. restrs. and SS energy: 19.720 (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: 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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2527.265456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.265456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.546136 (E_RNA)
where:
Base-Base interactions energy: -1696.444
where: short stacking energy: -758.797
Base-Backbone interact. energy: -2.655
local terms energy: -829.446862
where:
bonds (distance) C4'-P energy: -138.822
bonds (distance) P-C4' energy: -174.378
flat angles C4'-P-C4' energy: -180.783
flat angles P-C4'-P energy: -127.232
tors. eta vs tors. theta energy: -208.231
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: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2405.255363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.255363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.271162 (E_RNA)
where:
Base-Base interactions energy: -1628.475
where: short stacking energy: -714.232
Base-Backbone interact. energy: -3.465
local terms energy: -780.330785
where:
bonds (distance) C4'-P energy: -136.390
bonds (distance) P-C4' energy: -156.332
flat angles C4'-P-C4' energy: -184.503
flat angles P-C4'-P energy: -93.048
tors. eta vs tors. theta energy: -210.057
Dist. restrs. and SS energy: 7.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2345.303577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.303577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.937360 (E_RNA)
where:
Base-Base interactions energy: -1563.348
where: short stacking energy: -679.181
Base-Backbone interact. energy: -0.591
local terms energy: -785.998139
where:
bonds (distance) C4'-P energy: -157.938
bonds (distance) P-C4' energy: -150.993
flat angles C4'-P-C4' energy: -161.480
flat angles P-C4'-P energy: -119.535
tors. eta vs tors. theta energy: -196.051
Dist. restrs. and SS energy: 4.634 (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: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2233.629343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.629343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.544663 (E_RNA)
where:
Base-Base interactions energy: -1496.274
where: short stacking energy: -649.555
Base-Backbone interact. energy: 5.252
local terms energy: -748.522572
where:
bonds (distance) C4'-P energy: -152.330
bonds (distance) P-C4' energy: -148.197
flat angles C4'-P-C4' energy: -166.831
flat angles P-C4'-P energy: -103.437
tors. eta vs tors. theta energy: -177.727
Dist. restrs. and SS energy: 5.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2144.954681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.954681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.252806 (E_RNA)
where:
Base-Base interactions energy: -1443.137
where: short stacking energy: -627.101
Base-Backbone interact. energy: 0.182
local terms energy: -704.297430
where:
bonds (distance) C4'-P energy: -152.767
bonds (distance) P-C4' energy: -149.310
flat angles C4'-P-C4' energy: -158.221
flat angles P-C4'-P energy: -97.242
tors. eta vs tors. theta energy: -146.757
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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2039.457232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.457232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.291610 (E_RNA)
where:
Base-Base interactions energy: -1387.726
where: short stacking energy: -588.299
Base-Backbone interact. energy: 0.793
local terms energy: -656.358469
where:
bonds (distance) C4'-P energy: -130.771
bonds (distance) P-C4' energy: -135.849
flat angles C4'-P-C4' energy: -151.925
flat angles P-C4'-P energy: -79.830
tors. eta vs tors. theta energy: -157.984
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -2065.522904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.522904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.750296 (E_RNA)
where:
Base-Base interactions energy: -1382.114
where: short stacking energy: -590.320
Base-Backbone interact. energy: 1.132
local terms energy: -687.768415
where:
bonds (distance) C4'-P energy: -120.443
bonds (distance) P-C4' energy: -155.904
flat angles C4'-P-C4' energy: -146.140
flat angles P-C4'-P energy: -96.075
tors. eta vs tors. theta energy: -169.206
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1907.789296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.789296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.874482 (E_RNA)
where:
Base-Base interactions energy: -1285.640
where: short stacking energy: -537.981
Base-Backbone interact. energy: -2.908
local terms energy: -623.326673
where:
bonds (distance) C4'-P energy: -127.041
bonds (distance) P-C4' energy: -135.417
flat angles C4'-P-C4' energy: -134.028
flat angles P-C4'-P energy: -97.021
tors. eta vs tors. theta energy: -129.820
Dist. restrs. and SS energy: 4.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1735.789990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.789990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.387178 (E_RNA)
where:
Base-Base interactions energy: -1166.654
where: short stacking energy: -509.959
Base-Backbone interact. energy: 5.605
local terms energy: -609.338214
where:
bonds (distance) C4'-P energy: -126.037
bonds (distance) P-C4' energy: -105.366
flat angles C4'-P-C4' energy: -136.554
flat angles P-C4'-P energy: -98.510
tors. eta vs tors. theta energy: -142.871
Dist. restrs. and SS energy: 34.597 (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: 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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2553.410343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.410343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.934431 (E_RNA)
where:
Base-Base interactions energy: -1720.991
where: short stacking energy: -753.870
Base-Backbone interact. energy: 0.321
local terms energy: -835.264112
where:
bonds (distance) C4'-P energy: -163.766
bonds (distance) P-C4' energy: -165.069
flat angles C4'-P-C4' energy: -171.331
flat angles P-C4'-P energy: -118.608
tors. eta vs tors. theta energy: -216.491
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: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2423.239861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.239861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.608250 (E_RNA)
where:
Base-Base interactions energy: -1656.383
where: short stacking energy: -748.171
Base-Backbone interact. energy: 1.515
local terms energy: -775.740080
where:
bonds (distance) C4'-P energy: -130.298
bonds (distance) P-C4' energy: -148.387
flat angles C4'-P-C4' energy: -181.786
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -212.715
Dist. restrs. and SS energy: 7.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2317.996911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.996911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.854406 (E_RNA)
where:
Base-Base interactions energy: -1566.162
where: short stacking energy: -681.420
Base-Backbone interact. energy: 2.364
local terms energy: -758.055819
where:
bonds (distance) C4'-P energy: -146.927
bonds (distance) P-C4' energy: -140.628
flat angles C4'-P-C4' energy: -183.689
flat angles P-C4'-P energy: -100.918
tors. eta vs tors. theta energy: -185.893
Dist. restrs. and SS energy: 3.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2200.902511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.902511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.246653 (E_RNA)
where:
Base-Base interactions energy: -1476.044
where: short stacking energy: -649.694
Base-Backbone interact. energy: -0.337
local terms energy: -728.866209
where:
bonds (distance) C4'-P energy: -145.663
bonds (distance) P-C4' energy: -141.804
flat angles C4'-P-C4' energy: -162.303
flat angles P-C4'-P energy: -103.505
tors. eta vs tors. theta energy: -175.591
Dist. restrs. and SS energy: 4.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2134.633019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.633019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.995655 (E_RNA)
where:
Base-Base interactions energy: -1421.290
where: short stacking energy: -604.506
Base-Backbone interact. energy: -1.358
local terms energy: -713.347126
where:
bonds (distance) C4'-P energy: -139.131
bonds (distance) P-C4' energy: -146.601
flat angles C4'-P-C4' energy: -168.776
flat angles P-C4'-P energy: -95.781
tors. eta vs tors. theta energy: -163.058
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2100.322982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.322982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.742837 (E_RNA)
where:
Base-Base interactions energy: -1416.619
where: short stacking energy: -627.129
Base-Backbone interact. energy: 5.766
local terms energy: -691.889559
where:
bonds (distance) C4'-P energy: -122.043
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -146.197
flat angles P-C4'-P energy: -104.000
tors. eta vs tors. theta energy: -182.659
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: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1957.998021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.998021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.731602 (E_RNA)
where:
Base-Base interactions energy: -1304.662
where: short stacking energy: -555.099
Base-Backbone interact. energy: 0.838
local terms energy: -658.907580
where:
bonds (distance) C4'-P energy: -122.609
bonds (distance) P-C4' energy: -153.505
flat angles C4'-P-C4' energy: -138.206
flat angles P-C4'-P energy: -96.529
tors. eta vs tors. theta energy: -148.059
Dist. restrs. and SS energy: 4.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1961.215349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.215349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.822789 (E_RNA)
where:
Base-Base interactions energy: -1312.737
where: short stacking energy: -552.428
Base-Backbone interact. energy: 1.470
local terms energy: -652.555376
where:
bonds (distance) C4'-P energy: -155.309
bonds (distance) P-C4' energy: -136.225
flat angles C4'-P-C4' energy: -135.655
flat angles P-C4'-P energy: -92.625
tors. eta vs tors. theta energy: -132.742
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: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1694.217132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.217132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.015416 (E_RNA)
where:
Base-Base interactions energy: -1134.188
where: short stacking energy: -486.345
Base-Backbone interact. energy: -1.389
local terms energy: -587.439267
where:
bonds (distance) C4'-P energy: -114.889
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -153.147
flat angles P-C4'-P energy: -86.869
tors. eta vs tors. theta energy: -107.379
Dist. restrs. and SS energy: 28.798 (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: 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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2523.554728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.554728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.217465 (E_RNA)
where:
Base-Base interactions energy: -1708.664
where: short stacking energy: -728.168
Base-Backbone interact. energy: 1.231
local terms energy: -817.784190
where:
bonds (distance) C4'-P energy: -141.731
bonds (distance) P-C4' energy: -152.901
flat angles C4'-P-C4' energy: -184.240
flat angles P-C4'-P energy: -130.607
tors. eta vs tors. theta energy: -208.305
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: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2462.281460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.281460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.416757 (E_RNA)
where:
Base-Base interactions energy: -1649.188
where: short stacking energy: -730.449
Base-Backbone interact. energy: -1.539
local terms energy: -815.689794
where:
bonds (distance) C4'-P energy: -167.412
bonds (distance) P-C4' energy: -153.289
flat angles C4'-P-C4' energy: -171.284
flat angles P-C4'-P energy: -105.768
tors. eta vs tors. theta energy: -217.936
Dist. restrs. and SS energy: 4.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2347.454824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.454824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.069757 (E_RNA)
where:
Base-Base interactions energy: -1589.174
where: short stacking energy: -729.228
Base-Backbone interact. energy: -0.788
local terms energy: -764.108058
where:
bonds (distance) C4'-P energy: -145.422
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -178.591
flat angles P-C4'-P energy: -99.030
tors. eta vs tors. theta energy: -199.596
Dist. restrs. and SS energy: 6.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2192.678443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.678443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.345585 (E_RNA)
where:
Base-Base interactions energy: -1450.457
where: short stacking energy: -632.859
Base-Backbone interact. energy: -2.101
local terms energy: -743.787313
where:
bonds (distance) C4'-P energy: -143.420
bonds (distance) P-C4' energy: -151.966
flat angles C4'-P-C4' energy: -150.983
flat angles P-C4'-P energy: -117.173
tors. eta vs tors. theta energy: -180.245
Dist. restrs. and SS energy: 3.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2177.741055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.897579 (E_RNA)
where:
Base-Base interactions energy: -1479.343
where: short stacking energy: -641.148
Base-Backbone interact. energy: -0.790
local terms energy: -699.764948
where:
bonds (distance) C4'-P energy: -147.414
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -152.128
flat angles P-C4'-P energy: -90.844
tors. eta vs tors. theta energy: -166.064
Dist. restrs. and SS energy: 2.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2086.617102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.617102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.444696 (E_RNA)
where:
Base-Base interactions energy: -1410.617
where: short stacking energy: -610.189
Base-Backbone interact. energy: -1.267
local terms energy: -676.560644
where:
bonds (distance) C4'-P energy: -152.436
bonds (distance) P-C4' energy: -134.701
flat angles C4'-P-C4' energy: -134.052
flat angles P-C4'-P energy: -86.519
tors. eta vs tors. theta energy: -168.853
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1952.651374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.651374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.950230 (E_RNA)
where:
Base-Base interactions energy: -1333.600
where: short stacking energy: -560.728
Base-Backbone interact. energy: 1.870
local terms energy: -624.219503
where:
bonds (distance) C4'-P energy: -127.891
bonds (distance) P-C4' energy: -127.034
flat angles C4'-P-C4' energy: -142.733
flat angles P-C4'-P energy: -86.503
tors. eta vs tors. theta energy: -140.060
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: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1864.076972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.076972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.697338 (E_RNA)
where:
Base-Base interactions energy: -1279.534
where: short stacking energy: -529.576
Base-Backbone interact. energy: 7.593
local terms energy: -596.756291
where:
bonds (distance) C4'-P energy: -126.978
bonds (distance) P-C4' energy: -119.447
flat angles C4'-P-C4' energy: -131.920
flat angles P-C4'-P energy: -93.322
tors. eta vs tors. theta energy: -125.089
Dist. restrs. and SS energy: 4.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1693.938539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.938539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.361966 (E_RNA)
where:
Base-Base interactions energy: -1156.837
where: short stacking energy: -492.680
Base-Backbone interact. energy: -1.585
local terms energy: -565.939682
where:
bonds (distance) C4'-P energy: -112.802
bonds (distance) P-C4' energy: -120.822
flat angles C4'-P-C4' energy: -142.837
flat angles P-C4'-P energy: -71.883
tors. eta vs tors. theta energy: -117.596
Dist. restrs. and SS energy: 30.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2521.662688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.662688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.083064 (E_RNA)
where:
Base-Base interactions energy: -1701.294
where: short stacking energy: -748.916
Base-Backbone interact. energy: -1.815
local terms energy: -820.974583
where:
bonds (distance) C4'-P energy: -152.255
bonds (distance) P-C4' energy: -161.404
flat angles C4'-P-C4' energy: -175.964
flat angles P-C4'-P energy: -118.561
tors. eta vs tors. theta energy: -212.790
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: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2482.078302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.078302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.993514 (E_RNA)
where:
Base-Base interactions energy: -1697.300
where: short stacking energy: -736.899
Base-Backbone interact. energy: -3.668
local terms energy: -784.025025
where:
bonds (distance) C4'-P energy: -139.516
bonds (distance) P-C4' energy: -158.548
flat angles C4'-P-C4' energy: -181.537
flat angles P-C4'-P energy: -108.063
tors. eta vs tors. theta energy: -196.361
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2348.874044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.874044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.137772 (E_RNA)
where:
Base-Base interactions energy: -1628.291
where: short stacking energy: -702.470
Base-Backbone interact. energy: -1.076
local terms energy: -730.771199
where:
bonds (distance) C4'-P energy: -122.377
bonds (distance) P-C4' energy: -145.082
flat angles C4'-P-C4' energy: -158.798
flat angles P-C4'-P energy: -116.790
tors. eta vs tors. theta energy: -187.723
Dist. restrs. and SS energy: 11.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2192.780847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.780847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.281950 (E_RNA)
where:
Base-Base interactions energy: -1474.403
where: short stacking energy: -665.830
Base-Backbone interact. energy: -1.541
local terms energy: -730.337521
where:
bonds (distance) C4'-P energy: -151.400
bonds (distance) P-C4' energy: -152.870
flat angles C4'-P-C4' energy: -158.503
flat angles P-C4'-P energy: -89.303
tors. eta vs tors. theta energy: -178.262
Dist. restrs. and SS energy: 13.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2176.777997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.777997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.056938 (E_RNA)
where:
Base-Base interactions energy: -1472.373
where: short stacking energy: -634.897
Base-Backbone interact. energy: -4.076
local terms energy: -703.608407
where:
bonds (distance) C4'-P energy: -134.319
bonds (distance) P-C4' energy: -146.857
flat angles C4'-P-C4' energy: -163.326
flat angles P-C4'-P energy: -101.310
tors. eta vs tors. theta energy: -157.796
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2080.737863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.737863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.554177 (E_RNA)
where:
Base-Base interactions energy: -1398.127
where: short stacking energy: -600.655
Base-Backbone interact. energy: 0.369
local terms energy: -685.796771
where:
bonds (distance) C4'-P energy: -141.845
bonds (distance) P-C4' energy: -138.949
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -156.862
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1993.938483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.938483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.332327 (E_RNA)
where:
Base-Base interactions energy: -1346.850
where: short stacking energy: -589.271
Base-Backbone interact. energy: 1.050
local terms energy: -650.532654
where:
bonds (distance) C4'-P energy: -126.486
bonds (distance) P-C4' energy: -118.322
flat angles C4'-P-C4' energy: -149.395
flat angles P-C4'-P energy: -102.297
tors. eta vs tors. theta energy: -154.034
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: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1907.141116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.141116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.540353 (E_RNA)
where:
Base-Base interactions energy: -1287.729
where: short stacking energy: -531.792
Base-Backbone interact. energy: 0.776
local terms energy: -623.587443
where:
bonds (distance) C4'-P energy: -116.149
bonds (distance) P-C4' energy: -149.490
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -81.646
tors. eta vs tors. theta energy: -141.689
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1770.607109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.607109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.651548 (E_RNA)
where:
Base-Base interactions energy: -1222.650
where: short stacking energy: -517.569
Base-Backbone interact. energy: -0.839
local terms energy: -559.162515
where:
bonds (distance) C4'-P energy: -110.515
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -79.696
tors. eta vs tors. theta energy: -125.075
Dist. restrs. and SS energy: 12.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2576.477260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.477260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.227450 (E_RNA)
where:
Base-Base interactions energy: -1807.264
where: short stacking energy: -775.975
Base-Backbone interact. energy: -5.010
local terms energy: -765.953290
where:
bonds (distance) C4'-P energy: -144.593
bonds (distance) P-C4' energy: -140.033
flat angles C4'-P-C4' energy: -164.113
flat angles P-C4'-P energy: -114.710
tors. eta vs tors. theta energy: -202.504
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: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2445.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.791313 (E_RNA)
where:
Base-Base interactions energy: -1641.239
where: short stacking energy: -750.071
Base-Backbone interact. energy: -2.846
local terms energy: -805.705770
where:
bonds (distance) C4'-P energy: -165.528
bonds (distance) P-C4' energy: -133.589
flat angles C4'-P-C4' energy: -181.531
flat angles P-C4'-P energy: -121.320
tors. eta vs tors. theta energy: -203.738
Dist. restrs. and SS energy: 4.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2337.876639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.876639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.565704 (E_RNA)
where:
Base-Base interactions energy: -1589.819
where: short stacking energy: -675.221
Base-Backbone interact. energy: -3.965
local terms energy: -749.782037
where:
bonds (distance) C4'-P energy: -145.321
bonds (distance) P-C4' energy: -156.164
flat angles C4'-P-C4' energy: -157.962
flat angles P-C4'-P energy: -105.647
tors. eta vs tors. theta energy: -184.688
Dist. restrs. and SS energy: 5.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2239.381844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.381844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.784604 (E_RNA)
where:
Base-Base interactions energy: -1502.407
where: short stacking energy: -665.927
Base-Backbone interact. energy: -3.243
local terms energy: -747.133707
where:
bonds (distance) C4'-P energy: -151.598
bonds (distance) P-C4' energy: -147.893
flat angles C4'-P-C4' energy: -168.926
flat angles P-C4'-P energy: -93.817
tors. eta vs tors. theta energy: -184.900
Dist. restrs. and SS energy: 13.403 (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: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2188.188646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.188646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.433023 (E_RNA)
where:
Base-Base interactions energy: -1458.352
where: short stacking energy: -615.530
Base-Backbone interact. energy: -0.871
local terms energy: -730.210190
where:
bonds (distance) C4'-P energy: -126.515
bonds (distance) P-C4' energy: -150.924
flat angles C4'-P-C4' energy: -160.368
flat angles P-C4'-P energy: -123.353
tors. eta vs tors. theta energy: -169.050
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: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2107.263055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.263055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.640707 (E_RNA)
where:
Base-Base interactions energy: -1431.605
where: short stacking energy: -630.670
Base-Backbone interact. energy: -2.854
local terms energy: -675.182310
where:
bonds (distance) C4'-P energy: -140.333
bonds (distance) P-C4' energy: -127.400
flat angles C4'-P-C4' energy: -153.697
flat angles P-C4'-P energy: -93.074
tors. eta vs tors. theta energy: -160.679
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: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1974.471382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.471382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.379347 (E_RNA)
where:
Base-Base interactions energy: -1358.553
where: short stacking energy: -549.384
Base-Backbone interact. energy: -1.892
local terms energy: -615.934431
where:
bonds (distance) C4'-P energy: -121.791
bonds (distance) P-C4' energy: -132.353
flat angles C4'-P-C4' energy: -141.711
flat angles P-C4'-P energy: -84.842
tors. eta vs tors. theta energy: -135.237
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: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1934.381550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.381550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.029197 (E_RNA)
where:
Base-Base interactions energy: -1348.307
where: short stacking energy: -544.091
Base-Backbone interact. energy: -2.262
local terms energy: -585.460527
where:
bonds (distance) C4'-P energy: -116.012
bonds (distance) P-C4' energy: -115.904
flat angles C4'-P-C4' energy: -140.720
flat angles P-C4'-P energy: -84.180
tors. eta vs tors. theta energy: -128.645
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: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1788.329151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.329151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.706163 (E_RNA)
where:
Base-Base interactions energy: -1183.224
where: short stacking energy: -496.585
Base-Backbone interact. energy: 1.276
local terms energy: -616.758372
where:
bonds (distance) C4'-P energy: -118.282
bonds (distance) P-C4' energy: -132.790
flat angles C4'-P-C4' energy: -136.304
flat angles P-C4'-P energy: -99.537
tors. eta vs tors. theta energy: -129.845
Dist. restrs. and SS energy: 10.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2636.677214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.677214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.455953 (E_RNA)
where:
Base-Base interactions energy: -1823.856
where: short stacking energy: -783.752
Base-Backbone interact. energy: -3.735
local terms energy: -810.864723
where:
bonds (distance) C4'-P energy: -153.580
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -187.621
flat angles P-C4'-P energy: -113.532
tors. eta vs tors. theta energy: -212.804
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2473.561461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.561461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.809543 (E_RNA)
where:
Base-Base interactions energy: -1694.394
where: short stacking energy: -725.571
Base-Backbone interact. energy: -1.932
local terms energy: -779.482774
where:
bonds (distance) C4'-P energy: -151.008
bonds (distance) P-C4' energy: -155.561
flat angles C4'-P-C4' energy: -179.562
flat angles P-C4'-P energy: -93.465
tors. eta vs tors. theta energy: -199.887
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: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2372.020522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.020522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.817068 (E_RNA)
where:
Base-Base interactions energy: -1562.378
where: short stacking energy: -690.449
Base-Backbone interact. energy: -2.660
local terms energy: -815.779176
where:
bonds (distance) C4'-P energy: -158.905
bonds (distance) P-C4' energy: -163.405
flat angles C4'-P-C4' energy: -175.518
flat angles P-C4'-P energy: -125.186
tors. eta vs tors. theta energy: -192.764
Dist. restrs. and SS energy: 8.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2240.698296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.698296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.077148 (E_RNA)
where:
Base-Base interactions energy: -1516.665
where: short stacking energy: -633.488
Base-Backbone interact. energy: 3.971
local terms energy: -732.382729
where:
bonds (distance) C4'-P energy: -145.882
bonds (distance) P-C4' energy: -143.888
flat angles C4'-P-C4' energy: -167.734
flat angles P-C4'-P energy: -102.971
tors. eta vs tors. theta energy: -171.908
Dist. restrs. and SS energy: 4.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2124.436158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.436158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.971027 (E_RNA)
where:
Base-Base interactions energy: -1441.682
where: short stacking energy: -603.074
Base-Backbone interact. energy: 4.330
local terms energy: -689.618520
where:
bonds (distance) C4'-P energy: -144.527
bonds (distance) P-C4' energy: -139.526
flat angles C4'-P-C4' energy: -148.940
flat angles P-C4'-P energy: -111.398
tors. eta vs tors. theta energy: -145.227
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: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2060.304807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.304807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.354435 (E_RNA)
where:
Base-Base interactions energy: -1382.837
where: short stacking energy: -593.823
Base-Backbone interact. energy: -2.808
local terms energy: -676.708598
where:
bonds (distance) C4'-P energy: -151.234
bonds (distance) P-C4' energy: -138.511
flat angles C4'-P-C4' energy: -139.776
flat angles P-C4'-P energy: -86.933
tors. eta vs tors. theta energy: -160.255
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: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1955.824695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.824695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.593552 (E_RNA)
where:
Base-Base interactions energy: -1341.989
where: short stacking energy: -558.438
Base-Backbone interact. energy: -1.022
local terms energy: -620.583166
where:
bonds (distance) C4'-P energy: -121.915
bonds (distance) P-C4' energy: -126.802
flat angles C4'-P-C4' energy: -152.290
flat angles P-C4'-P energy: -61.774
tors. eta vs tors. theta energy: -157.803
Dist. restrs. and SS energy: 7.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1924.641411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.641411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.695652 (E_RNA)
where:
Base-Base interactions energy: -1325.032
where: short stacking energy: -566.531
Base-Backbone interact. energy: -4.643
local terms energy: -598.021119
where:
bonds (distance) C4'-P energy: -106.927
bonds (distance) P-C4' energy: -130.813
flat angles C4'-P-C4' energy: -139.534
flat angles P-C4'-P energy: -76.008
tors. eta vs tors. theta energy: -144.739
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: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1841.542610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.542610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.034163 (E_RNA)
where:
Base-Base interactions energy: -1233.078
where: short stacking energy: -517.641
Base-Backbone interact. energy: -1.126
local terms energy: -611.829933
where:
bonds (distance) C4'-P energy: -119.756
bonds (distance) P-C4' energy: -119.585
flat angles C4'-P-C4' energy: -141.321
flat angles P-C4'-P energy: -94.794
tors. eta vs tors. theta energy: -136.375
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -2640.964714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.964714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.455933 (E_RNA)
where:
Base-Base interactions energy: -1814.245
where: short stacking energy: -790.119
Base-Backbone interact. energy: -3.556
local terms energy: -824.655378
where:
bonds (distance) C4'-P energy: -145.043
bonds (distance) P-C4' energy: -165.282
flat angles C4'-P-C4' energy: -186.653
flat angles P-C4'-P energy: -117.067
tors. eta vs tors. theta energy: -210.610
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: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2466.841595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.841595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.652823 (E_RNA)
where:
Base-Base interactions energy: -1679.672
where: short stacking energy: -706.423
Base-Backbone interact. energy: -5.051
local terms energy: -783.930255
where:
bonds (distance) C4'-P energy: -153.644
bonds (distance) P-C4' energy: -152.855
flat angles C4'-P-C4' energy: -171.771
flat angles P-C4'-P energy: -109.318
tors. eta vs tors. theta energy: -196.343
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2316.985187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.985187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.187690 (E_RNA)
where:
Base-Base interactions energy: -1561.865
where: short stacking energy: -693.933
Base-Backbone interact. energy: -3.680
local terms energy: -760.642031
where:
bonds (distance) C4'-P energy: -136.981
bonds (distance) P-C4' energy: -149.979
flat angles C4'-P-C4' energy: -168.958
flat angles P-C4'-P energy: -114.685
tors. eta vs tors. theta energy: -190.039
Dist. restrs. and SS energy: 9.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2188.055530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.055530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.171602 (E_RNA)
where:
Base-Base interactions energy: -1483.146
where: short stacking energy: -648.083
Base-Backbone interact. energy: -0.355
local terms energy: -712.670907
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -162.163
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -177.376
Dist. restrs. and SS energy: 8.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2165.629787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.629787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.243359 (E_RNA)
where:
Base-Base interactions energy: -1436.889
where: short stacking energy: -629.872
Base-Backbone interact. energy: -2.751
local terms energy: -728.603932
where:
bonds (distance) C4'-P energy: -158.492
bonds (distance) P-C4' energy: -141.281
flat angles C4'-P-C4' energy: -160.831
flat angles P-C4'-P energy: -116.195
tors. eta vs tors. theta energy: -151.806
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: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2066.394986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.394986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.333970 (E_RNA)
where:
Base-Base interactions energy: -1362.666
where: short stacking energy: -613.516
Base-Backbone interact. energy: -1.243
local terms energy: -705.424608
where:
bonds (distance) C4'-P energy: -131.773
bonds (distance) P-C4' energy: -143.241
flat angles C4'-P-C4' energy: -167.528
flat angles P-C4'-P energy: -87.782
tors. eta vs tors. theta energy: -175.101
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1977.523486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.523486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.726103 (E_RNA)
where:
Base-Base interactions energy: -1308.360
where: short stacking energy: -564.138
Base-Backbone interact. energy: -3.174
local terms energy: -669.192260
where:
bonds (distance) C4'-P energy: -147.779
bonds (distance) P-C4' energy: -143.594
flat angles C4'-P-C4' energy: -157.863
flat angles P-C4'-P energy: -81.217
tors. eta vs tors. theta energy: -138.740
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1918.726358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.726358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.517842 (E_RNA)
where:
Base-Base interactions energy: -1333.820
where: short stacking energy: -614.001
Base-Backbone interact. energy: 2.749
local terms energy: -594.446535
where:
bonds (distance) C4'-P energy: -108.911
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -134.680
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -158.631
Dist. restrs. and SS energy: 6.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1833.710744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.710744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.213171 (E_RNA)
where:
Base-Base interactions energy: -1227.019
where: short stacking energy: -526.800
Base-Backbone interact. energy: 2.141
local terms energy: -614.335083
where:
bonds (distance) C4'-P energy: -123.805
bonds (distance) P-C4' energy: -125.709
flat angles C4'-P-C4' energy: -140.106
flat angles P-C4'-P energy: -88.763
tors. eta vs tors. theta energy: -135.952
Dist. restrs. and SS energy: 5.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2692.531381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.531381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.142832 (E_RNA)
where:
Base-Base interactions energy: -1848.237
where: short stacking energy: -831.713
Base-Backbone interact. energy: -2.658
local terms energy: -843.247556
where:
bonds (distance) C4'-P energy: -153.097
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -186.605
flat angles P-C4'-P energy: -120.476
tors. eta vs tors. theta energy: -236.825
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: 2, replica: 9
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2663.168080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.168080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.707398 (E_RNA)
where:
Base-Base interactions energy: -1827.981
where: short stacking energy: -777.461
Base-Backbone interact. energy: -2.250
local terms energy: -834.475908
where:
bonds (distance) C4'-P energy: -138.173
bonds (distance) P-C4' energy: -175.674
flat angles C4'-P-C4' energy: -177.051
flat angles P-C4'-P energy: -114.402
tors. eta vs tors. theta energy: -229.175
Dist. restrs. and SS energy: 1.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2460.418413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.846524 (E_RNA)
where:
Base-Base interactions energy: -1650.709
where: short stacking energy: -726.929
Base-Backbone interact. energy: 0.297
local terms energy: -811.434690
where:
bonds (distance) C4'-P energy: -150.339
bonds (distance) P-C4' energy: -163.733
flat angles C4'-P-C4' energy: -182.790
flat angles P-C4'-P energy: -117.494
tors. eta vs tors. theta energy: -197.079
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: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2351.308710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.308710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.061617 (E_RNA)
where:
Base-Base interactions energy: -1566.603
where: short stacking energy: -692.483
Base-Backbone interact. energy: -4.785
local terms energy: -784.673610
where:
bonds (distance) C4'-P energy: -145.550
bonds (distance) P-C4' energy: -160.880
flat angles C4'-P-C4' energy: -159.869
flat angles P-C4'-P energy: -122.693
tors. eta vs tors. theta energy: -195.681
Dist. restrs. and SS energy: 4.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2165.246848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.246848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.670031 (E_RNA)
where:
Base-Base interactions energy: -1434.511
where: short stacking energy: -612.222
Base-Backbone interact. energy: -1.796
local terms energy: -735.363390
where:
bonds (distance) C4'-P energy: -146.130
bonds (distance) P-C4' energy: -148.356
flat angles C4'-P-C4' energy: -159.293
flat angles P-C4'-P energy: -108.805
tors. eta vs tors. theta energy: -172.779
Dist. restrs. and SS energy: 6.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2137.152895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.152895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.495414 (E_RNA)
where:
Base-Base interactions energy: -1464.342
where: short stacking energy: -633.862
Base-Backbone interact. energy: 3.386
local terms energy: -679.539999
where:
bonds (distance) C4'-P energy: -127.015
bonds (distance) P-C4' energy: -144.364
flat angles C4'-P-C4' energy: -160.781
flat angles P-C4'-P energy: -85.218
tors. eta vs tors. theta energy: -162.162
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: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2016.453796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.453796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.674261 (E_RNA)
where:
Base-Base interactions energy: -1365.985
where: short stacking energy: -568.625
Base-Backbone interact. energy: -2.231
local terms energy: -650.458658
where:
bonds (distance) C4'-P energy: -120.201
bonds (distance) P-C4' energy: -147.777
flat angles C4'-P-C4' energy: -151.413
flat angles P-C4'-P energy: -89.688
tors. eta vs tors. theta energy: -141.381
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: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -2000.804150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.804150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.493718 (E_RNA)
where:
Base-Base interactions energy: -1352.620
where: short stacking energy: -600.647
Base-Backbone interact. energy: 9.267
local terms energy: -660.140886
where:
bonds (distance) C4'-P energy: -126.052
bonds (distance) P-C4' energy: -122.668
flat angles C4'-P-C4' energy: -161.072
flat angles P-C4'-P energy: -79.467
tors. eta vs tors. theta energy: -170.882
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: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1870.724857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.724857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.863329 (E_RNA)
where:
Base-Base interactions energy: -1279.410
where: short stacking energy: -551.081
Base-Backbone interact. energy: -2.718
local terms energy: -591.734441
where:
bonds (distance) C4'-P energy: -120.662
bonds (distance) P-C4' energy: -133.402
flat angles C4'-P-C4' energy: -120.678
flat angles P-C4'-P energy: -98.531
tors. eta vs tors. theta energy: -118.462
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1831.910013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.910013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.881698 (E_RNA)
where:
Base-Base interactions energy: -1212.625
where: short stacking energy: -496.049
Base-Backbone interact. energy: -4.209
local terms energy: -622.046854
where:
bonds (distance) C4'-P energy: -117.672
bonds (distance) P-C4' energy: -143.680
flat angles C4'-P-C4' energy: -136.231
flat angles P-C4'-P energy: -84.193
tors. eta vs tors. theta energy: -140.270
Dist. restrs. and SS energy: 6.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2705.018714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.018714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.963571 (E_RNA)
where:
Base-Base interactions energy: -1859.736
where: short stacking energy: -796.259
Base-Backbone interact. energy: -3.707
local terms energy: -842.520995
where:
bonds (distance) C4'-P energy: -164.596
bonds (distance) P-C4' energy: -154.264
flat angles C4'-P-C4' energy: -179.243
flat angles P-C4'-P energy: -125.485
tors. eta vs tors. theta energy: -218.933
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: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2647.487112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.487112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.761070 (E_RNA)
where:
Base-Base interactions energy: -1837.342
where: short stacking energy: -785.131
Base-Backbone interact. energy: -2.115
local terms energy: -809.303764
where:
bonds (distance) C4'-P energy: -149.699
bonds (distance) P-C4' energy: -157.136
flat angles C4'-P-C4' energy: -172.361
flat angles P-C4'-P energy: -99.383
tors. eta vs tors. theta energy: -230.724
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2416.548885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.548885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.441493 (E_RNA)
where:
Base-Base interactions energy: -1621.205
where: short stacking energy: -704.863
Base-Backbone interact. energy: -4.683
local terms energy: -792.553903
where:
bonds (distance) C4'-P energy: -147.427
bonds (distance) P-C4' energy: -160.294
flat angles C4'-P-C4' energy: -171.454
flat angles P-C4'-P energy: -115.191
tors. eta vs tors. theta energy: -198.187
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: 4, replica: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2349.760555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.760555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.581776 (E_RNA)
where:
Base-Base interactions energy: -1612.596
where: short stacking energy: -706.847
Base-Backbone interact. energy: -0.881
local terms energy: -742.105139
where:
bonds (distance) C4'-P energy: -150.948
bonds (distance) P-C4' energy: -144.231
flat angles C4'-P-C4' energy: -159.124
flat angles P-C4'-P energy: -85.487
tors. eta vs tors. theta energy: -202.315
Dist. restrs. and SS energy: 5.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2237.056500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.056500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.345648 (E_RNA)
where:
Base-Base interactions energy: -1500.134
where: short stacking energy: -645.778
Base-Backbone interact. energy: 1.650
local terms energy: -740.862365
where:
bonds (distance) C4'-P energy: -126.651
bonds (distance) P-C4' energy: -148.492
flat angles C4'-P-C4' energy: -169.431
flat angles P-C4'-P energy: -105.840
tors. eta vs tors. theta energy: -190.449
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2156.367104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.367104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.965571 (E_RNA)
where:
Base-Base interactions energy: -1467.733
where: short stacking energy: -638.469
Base-Backbone interact. energy: -3.922
local terms energy: -687.310412
where:
bonds (distance) C4'-P energy: -128.789
bonds (distance) P-C4' energy: -123.029
flat angles C4'-P-C4' energy: -157.437
flat angles P-C4'-P energy: -102.468
tors. eta vs tors. theta energy: -175.587
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: 33
Temperature: 1.200000
Total energy: -2075.226464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.226464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.824766 (E_RNA)
where:
Base-Base interactions energy: -1420.381
where: short stacking energy: -590.659
Base-Backbone interact. energy: -0.690
local terms energy: -656.753095
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -135.244
flat angles C4'-P-C4' energy: -151.076
flat angles P-C4'-P energy: -97.713
tors. eta vs tors. theta energy: -153.080
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: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -2009.356756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.356756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.192369 (E_RNA)
where:
Base-Base interactions energy: -1359.793
where: short stacking energy: -603.765
Base-Backbone interact. energy: 4.814
local terms energy: -658.213288
where:
bonds (distance) C4'-P energy: -114.914
bonds (distance) P-C4' energy: -127.575
flat angles C4'-P-C4' energy: -152.957
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -169.512
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: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1858.580219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.580219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.361071 (E_RNA)
where:
Base-Base interactions energy: -1273.113
where: short stacking energy: -550.452
Base-Backbone interact. energy: -4.176
local terms energy: -584.072021
where:
bonds (distance) C4'-P energy: -127.766
bonds (distance) P-C4' energy: -140.882
flat angles C4'-P-C4' energy: -121.800
flat angles P-C4'-P energy: -60.304
tors. eta vs tors. theta energy: -133.320
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1855.471534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.471534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.428372 (E_RNA)
where:
Base-Base interactions energy: -1314.249
where: short stacking energy: -560.447
Base-Backbone interact. energy: 19.636
local terms energy: -562.814738
where:
bonds (distance) C4'-P energy: -108.425
bonds (distance) P-C4' energy: -98.826
flat angles C4'-P-C4' energy: -133.021
flat angles P-C4'-P energy: -88.737
tors. eta vs tors. theta energy: -133.805
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2696.771542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.771542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.836784 (E_RNA)
where:
Base-Base interactions energy: -1835.383
where: short stacking energy: -819.603
Base-Backbone interact. energy: 0.234
local terms energy: -862.688162
where:
bonds (distance) C4'-P energy: -165.816
bonds (distance) P-C4' energy: -163.964
flat angles C4'-P-C4' energy: -181.804
flat angles P-C4'-P energy: -120.561
tors. eta vs tors. theta energy: -230.543
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: 34
Temperature: 0.950000
Total energy: -2674.313897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.313897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.815541 (E_RNA)
where:
Base-Base interactions energy: -1869.338
where: short stacking energy: -779.262
Base-Backbone interact. energy: -1.399
local terms energy: -805.078022
where:
bonds (distance) C4'-P energy: -163.462
bonds (distance) P-C4' energy: -139.052
flat angles C4'-P-C4' energy: -161.400
flat angles P-C4'-P energy: -120.939
tors. eta vs tors. theta energy: -220.225
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: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2450.663885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.663885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.936087 (E_RNA)
where:
Base-Base interactions energy: -1633.457
where: short stacking energy: -720.568
Base-Backbone interact. energy: -1.009
local terms energy: -817.470416
where:
bonds (distance) C4'-P energy: -165.537
bonds (distance) P-C4' energy: -159.287
flat angles C4'-P-C4' energy: -177.482
flat angles P-C4'-P energy: -108.687
tors. eta vs tors. theta energy: -206.478
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: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2343.061427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.061427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.701417 (E_RNA)
where:
Base-Base interactions energy: -1556.960
where: short stacking energy: -690.320
Base-Backbone interact. energy: 3.198
local terms energy: -796.939109
where:
bonds (distance) C4'-P energy: -149.631
bonds (distance) P-C4' energy: -159.954
flat angles C4'-P-C4' energy: -160.524
flat angles P-C4'-P energy: -110.679
tors. eta vs tors. theta energy: -216.151
Dist. restrs. and SS energy: 7.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2235.310534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.310534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.796458 (E_RNA)
where:
Base-Base interactions energy: -1486.983
where: short stacking energy: -643.818
Base-Backbone interact. energy: 0.312
local terms energy: -750.125804
where:
bonds (distance) C4'-P energy: -144.005
bonds (distance) P-C4' energy: -161.281
flat angles C4'-P-C4' energy: -173.202
flat angles P-C4'-P energy: -97.910
tors. eta vs tors. theta energy: -173.728
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2139.689711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.689711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.444323 (E_RNA)
where:
Base-Base interactions energy: -1419.543
where: short stacking energy: -621.670
Base-Backbone interact. energy: -3.348
local terms energy: -720.552611
where:
bonds (distance) C4'-P energy: -129.083
bonds (distance) P-C4' energy: -166.531
flat angles C4'-P-C4' energy: -150.918
flat angles P-C4'-P energy: -103.112
tors. eta vs tors. theta energy: -170.909
Dist. restrs. and SS energy: 3.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2087.801003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.801003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.966265 (E_RNA)
where:
Base-Base interactions energy: -1402.385
where: short stacking energy: -602.118
Base-Backbone interact. energy: -0.283
local terms energy: -686.297864
where:
bonds (distance) C4'-P energy: -132.786
bonds (distance) P-C4' energy: -148.122
flat angles C4'-P-C4' energy: -133.459
flat angles P-C4'-P energy: -116.400
tors. eta vs tors. theta energy: -155.532
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1993.904386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.904386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.306553 (E_RNA)
where:
Base-Base interactions energy: -1343.898
where: short stacking energy: -564.077
Base-Backbone interact. energy: 6.778
local terms energy: -658.186971
where:
bonds (distance) C4'-P energy: -125.872
bonds (distance) P-C4' energy: -144.168
flat angles C4'-P-C4' energy: -155.398
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -148.033
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: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1904.121286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.121286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.378316 (E_RNA)
where:
Base-Base interactions energy: -1262.909
where: short stacking energy: -532.287
Base-Backbone interact. energy: -1.216
local terms energy: -642.253664
where:
bonds (distance) C4'-P energy: -129.073
bonds (distance) P-C4' energy: -127.496
flat angles C4'-P-C4' energy: -147.070
flat angles P-C4'-P energy: -102.887
tors. eta vs tors. theta energy: -135.728
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: 10, replica: 3
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1843.858945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.858945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.317302 (E_RNA)
where:
Base-Base interactions energy: -1245.817
where: short stacking energy: -533.021
Base-Backbone interact. energy: 7.372
local terms energy: -608.872326
where:
bonds (distance) C4'-P energy: -121.143
bonds (distance) P-C4' energy: -117.095
flat angles C4'-P-C4' energy: -142.856
flat angles P-C4'-P energy: -74.255
tors. eta vs tors. theta energy: -153.522
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2715.776970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.776970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.277387 (E_RNA)
where:
Base-Base interactions energy: -1825.545
where: short stacking energy: -800.085
Base-Backbone interact. energy: -0.829
local terms energy: -890.902571
where:
bonds (distance) C4'-P energy: -171.406
bonds (distance) P-C4' energy: -169.749
flat angles C4'-P-C4' energy: -189.088
flat angles P-C4'-P energy: -134.258
tors. eta vs tors. theta energy: -226.402
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: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2670.226317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.226317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.167015 (E_RNA)
where:
Base-Base interactions energy: -1821.815
where: short stacking energy: -774.272
Base-Backbone interact. energy: -3.154
local terms energy: -847.197592
where:
bonds (distance) C4'-P energy: -154.109
bonds (distance) P-C4' energy: -168.169
flat angles C4'-P-C4' energy: -182.092
flat angles P-C4'-P energy: -111.125
tors. eta vs tors. theta energy: -231.702
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: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2422.092273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.092273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.827569 (E_RNA)
where:
Base-Base interactions energy: -1619.880
where: short stacking energy: -756.642
Base-Backbone interact. energy: -1.018
local terms energy: -803.929691
where:
bonds (distance) C4'-P energy: -162.039
bonds (distance) P-C4' energy: -148.750
flat angles C4'-P-C4' energy: -175.751
flat angles P-C4'-P energy: -104.219
tors. eta vs tors. theta energy: -213.171
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2312.982049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.982049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.440519 (E_RNA)
where:
Base-Base interactions energy: -1541.770
where: short stacking energy: -653.028
Base-Backbone interact. energy: 1.651
local terms energy: -777.321641
where:
bonds (distance) C4'-P energy: -152.343
bonds (distance) P-C4' energy: -144.574
flat angles C4'-P-C4' energy: -157.483
flat angles P-C4'-P energy: -128.740
tors. eta vs tors. theta energy: -194.182
Dist. restrs. and SS energy: 4.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2266.930525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.930525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.380411 (E_RNA)
where:
Base-Base interactions energy: -1522.107
where: short stacking energy: -681.267
Base-Backbone interact. energy: 0.104
local terms energy: -747.377398
where:
bonds (distance) C4'-P energy: -143.696
bonds (distance) P-C4' energy: -138.569
flat angles C4'-P-C4' energy: -164.457
flat angles P-C4'-P energy: -113.642
tors. eta vs tors. theta energy: -187.012
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: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2123.012920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.012920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.396895 (E_RNA)
where:
Base-Base interactions energy: -1392.742
where: short stacking energy: -605.633
Base-Backbone interact. energy: -1.644
local terms energy: -731.010723
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -127.833
flat angles C4'-P-C4' energy: -159.882
flat angles P-C4'-P energy: -127.162
tors. eta vs tors. theta energy: -168.593
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: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2101.548270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.548270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.959124 (E_RNA)
where:
Base-Base interactions energy: -1399.157
where: short stacking energy: -582.018
Base-Backbone interact. energy: 1.158
local terms energy: -705.959460
where:
bonds (distance) C4'-P energy: -151.295
bonds (distance) P-C4' energy: -123.396
flat angles C4'-P-C4' energy: -153.700
flat angles P-C4'-P energy: -107.914
tors. eta vs tors. theta energy: -169.654
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1971.557978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.557978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.547589 (E_RNA)
where:
Base-Base interactions energy: -1324.791
where: short stacking energy: -548.771
Base-Backbone interact. energy: 0.699
local terms energy: -649.456307
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -151.169
flat angles C4'-P-C4' energy: -138.970
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -151.258
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1948.417123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.417123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.781328 (E_RNA)
where:
Base-Base interactions energy: -1340.824
where: short stacking energy: -602.270
Base-Backbone interact. energy: -0.346
local terms energy: -611.611219
where:
bonds (distance) C4'-P energy: -125.387
bonds (distance) P-C4' energy: -107.849
flat angles C4'-P-C4' energy: -125.188
flat angles P-C4'-P energy: -103.609
tors. eta vs tors. theta energy: -149.579
Dist. restrs. and SS energy: 4.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1778.581701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.581701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.269338 (E_RNA)
where:
Base-Base interactions energy: -1213.505
where: short stacking energy: -495.373
Base-Backbone interact. energy: -1.457
local terms energy: -566.307957
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -137.793
flat angles C4'-P-C4' energy: -126.435
flat angles P-C4'-P energy: -84.575
tors. eta vs tors. theta energy: -118.870
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: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2739.266576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.266576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.084010 (E_RNA)
where:
Base-Base interactions energy: -1861.779
where: short stacking energy: -816.505
Base-Backbone interact. energy: -0.271
local terms energy: -880.034402
where:
bonds (distance) C4'-P energy: -155.997
bonds (distance) P-C4' energy: -169.964
flat angles C4'-P-C4' energy: -177.576
flat angles P-C4'-P energy: -139.405
tors. eta vs tors. theta energy: -237.092
Dist. restrs. and SS energy: 2.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2731.075464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.075464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.400804 (E_RNA)
where:
Base-Base interactions energy: -1899.868
where: short stacking energy: -819.004
Base-Backbone interact. energy: -6.652
local terms energy: -825.880664
where:
bonds (distance) C4'-P energy: -150.180
bonds (distance) P-C4' energy: -148.929
flat angles C4'-P-C4' energy: -181.048
flat angles P-C4'-P energy: -103.182
tors. eta vs tors. theta energy: -242.541
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: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2439.056152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.056152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.599570 (E_RNA)
where:
Base-Base interactions energy: -1613.271
where: short stacking energy: -707.312
Base-Backbone interact. energy: -1.682
local terms energy: -826.646829
where:
bonds (distance) C4'-P energy: -158.670
bonds (distance) P-C4' energy: -156.140
flat angles C4'-P-C4' energy: -181.838
flat angles P-C4'-P energy: -117.626
tors. eta vs tors. theta energy: -212.372
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2349.441964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.441964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.738353 (E_RNA)
where:
Base-Base interactions energy: -1612.814
where: short stacking energy: -699.389
Base-Backbone interact. energy: -3.011
local terms energy: -739.913305
where:
bonds (distance) C4'-P energy: -122.444
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -159.848
flat angles P-C4'-P energy: -121.311
tors. eta vs tors. theta energy: -185.611
Dist. restrs. and SS energy: 6.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2325.439510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.439510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.060534 (E_RNA)
where:
Base-Base interactions energy: -1560.250
where: short stacking energy: -682.630
Base-Backbone interact. energy: 0.802
local terms energy: -767.612521
where:
bonds (distance) C4'-P energy: -158.442
bonds (distance) P-C4' energy: -159.647
flat angles C4'-P-C4' energy: -158.495
flat angles P-C4'-P energy: -93.397
tors. eta vs tors. theta energy: -197.632
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: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2178.481216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.481216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.179169 (E_RNA)
where:
Base-Base interactions energy: -1478.610
where: short stacking energy: -644.013
Base-Backbone interact. energy: -1.163
local terms energy: -700.406791
where:
bonds (distance) C4'-P energy: -127.201
bonds (distance) P-C4' energy: -138.835
flat angles C4'-P-C4' energy: -160.656
flat angles P-C4'-P energy: -101.740
tors. eta vs tors. theta energy: -171.975
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2090.555202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.555202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.622844 (E_RNA)
where:
Base-Base interactions energy: -1435.040
where: short stacking energy: -610.827
Base-Backbone interact. energy: 2.861
local terms energy: -661.443361
where:
bonds (distance) C4'-P energy: -124.211
bonds (distance) P-C4' energy: -132.830
flat angles C4'-P-C4' energy: -151.273
flat angles P-C4'-P energy: -97.704
tors. eta vs tors. theta energy: -155.426
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1945.951262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.951262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.474221 (E_RNA)
where:
Base-Base interactions energy: -1310.843
where: short stacking energy: -563.829
Base-Backbone interact. energy: -1.905
local terms energy: -634.726634
where:
bonds (distance) C4'-P energy: -125.911
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -88.483
tors. eta vs tors. theta energy: -158.464
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: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1904.838708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.838708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.157349 (E_RNA)
where:
Base-Base interactions energy: -1279.934
where: short stacking energy: -531.991
Base-Backbone interact. energy: -3.523
local terms energy: -624.699708
where:
bonds (distance) C4'-P energy: -106.207
bonds (distance) P-C4' energy: -145.848
flat angles C4'-P-C4' energy: -148.084
flat angles P-C4'-P energy: -88.453
tors. eta vs tors. theta energy: -136.109
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: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1844.779487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.779487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.431712 (E_RNA)
where:
Base-Base interactions energy: -1235.567
where: short stacking energy: -543.371
Base-Backbone interact. energy: 4.354
local terms energy: -624.218339
where:
bonds (distance) C4'-P energy: -113.591
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -141.959
flat angles P-C4'-P energy: -90.578
tors. eta vs tors. theta energy: -149.318
Dist. restrs. and SS energy: 10.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2723.769025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.769025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.516055 (E_RNA)
where:
Base-Base interactions energy: -1869.335
where: short stacking energy: -819.504
Base-Backbone interact. energy: 3.130
local terms energy: -860.311029
where:
bonds (distance) C4'-P energy: -151.611
bonds (distance) P-C4' energy: -164.832
flat angles C4'-P-C4' energy: -184.227
flat angles P-C4'-P energy: -123.928
tors. eta vs tors. theta energy: -235.713
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: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2719.797056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.797056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.900965 (E_RNA)
where:
Base-Base interactions energy: -1885.340
where: short stacking energy: -784.617
Base-Backbone interact. energy: -3.610
local terms energy: -831.951506
where:
bonds (distance) C4'-P energy: -155.332
bonds (distance) P-C4' energy: -154.663
flat angles C4'-P-C4' energy: -178.612
flat angles P-C4'-P energy: -110.805
tors. eta vs tors. theta energy: -232.540
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: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2450.931006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.931006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.241996 (E_RNA)
where:
Base-Base interactions energy: -1646.321
where: short stacking energy: -750.350
Base-Backbone interact. energy: 1.916
local terms energy: -808.836982
where:
bonds (distance) C4'-P energy: -148.765
bonds (distance) P-C4' energy: -164.749
flat angles C4'-P-C4' energy: -176.721
flat angles P-C4'-P energy: -110.196
tors. eta vs tors. theta energy: -208.406
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: 4, replica: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2372.483807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.483807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.164931 (E_RNA)
where:
Base-Base interactions energy: -1622.980
where: short stacking energy: -707.050
Base-Backbone interact. energy: 3.716
local terms energy: -754.901056
where:
bonds (distance) C4'-P energy: -142.868
bonds (distance) P-C4' energy: -149.486
flat angles C4'-P-C4' energy: -168.140
flat angles P-C4'-P energy: -110.840
tors. eta vs tors. theta energy: -183.568
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2272.061990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.061990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.665802 (E_RNA)
where:
Base-Base interactions energy: -1518.244
where: short stacking energy: -659.216
Base-Backbone interact. energy: -4.434
local terms energy: -753.988208
where:
bonds (distance) C4'-P energy: -154.814
bonds (distance) P-C4' energy: -141.895
flat angles C4'-P-C4' energy: -157.036
flat angles P-C4'-P energy: -108.244
tors. eta vs tors. theta energy: -191.999
Dist. restrs. and SS energy: 4.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2224.620294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.620294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.953460 (E_RNA)
where:
Base-Base interactions energy: -1517.087
where: short stacking energy: -628.265
Base-Backbone interact. energy: -0.733
local terms energy: -709.133988
where:
bonds (distance) C4'-P energy: -135.275
bonds (distance) P-C4' energy: -138.283
flat angles C4'-P-C4' energy: -161.436
flat angles P-C4'-P energy: -105.492
tors. eta vs tors. theta energy: -168.648
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: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2092.672893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.672893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.792950 (E_RNA)
where:
Base-Base interactions energy: -1428.381
where: short stacking energy: -611.337
Base-Backbone interact. energy: 1.075
local terms energy: -667.487414
where:
bonds (distance) C4'-P energy: -123.228
bonds (distance) P-C4' energy: -131.490
flat angles C4'-P-C4' energy: -149.330
flat angles P-C4'-P energy: -100.370
tors. eta vs tors. theta energy: -163.068
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: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1973.369311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.369311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.509082 (E_RNA)
where:
Base-Base interactions energy: -1342.180
where: short stacking energy: -555.579
Base-Backbone interact. energy: -1.014
local terms energy: -634.314438
where:
bonds (distance) C4'-P energy: -130.411
bonds (distance) P-C4' energy: -133.323
flat angles C4'-P-C4' energy: -133.736
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -146.255
Dist. restrs. and SS energy: 4.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1907.503756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.503756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.183321 (E_RNA)
where:
Base-Base interactions energy: -1287.611
where: short stacking energy: -561.903
Base-Backbone interact. energy: -2.410
local terms energy: -620.162071
where:
bonds (distance) C4'-P energy: -107.638
bonds (distance) P-C4' energy: -143.439
flat angles C4'-P-C4' energy: -140.053
flat angles P-C4'-P energy: -88.602
tors. eta vs tors. theta energy: -140.430
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: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1861.718683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.718683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.354473 (E_RNA)
where:
Base-Base interactions energy: -1290.792
where: short stacking energy: -533.656
Base-Backbone interact. energy: 4.478
local terms energy: -579.040591
where:
bonds (distance) C4'-P energy: -124.942
bonds (distance) P-C4' energy: -118.337
flat angles C4'-P-C4' energy: -136.365
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -128.792
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2706.282831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.282831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.881544 (E_RNA)
where:
Base-Base interactions energy: -1851.492
where: short stacking energy: -795.241
Base-Backbone interact. energy: 8.818
local terms energy: -866.208055
where:
bonds (distance) C4'-P energy: -161.456
bonds (distance) P-C4' energy: -161.355
flat angles C4'-P-C4' energy: -180.999
flat angles P-C4'-P energy: -131.798
tors. eta vs tors. theta energy: -230.600
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: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2732.273493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.273493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.596103 (E_RNA)
where:
Base-Base interactions energy: -1890.936
where: short stacking energy: -794.941
Base-Backbone interact. energy: -2.184
local terms energy: -840.476192
where:
bonds (distance) C4'-P energy: -163.480
bonds (distance) P-C4' energy: -155.969
flat angles C4'-P-C4' energy: -182.961
flat angles P-C4'-P energy: -117.581
tors. eta vs tors. theta energy: -220.486
Dist. restrs. and SS energy: 1.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2418.663492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.663492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.776360 (E_RNA)
where:
Base-Base interactions energy: -1640.066
where: short stacking energy: -718.299
Base-Backbone interact. energy: 2.130
local terms energy: -783.840472
where:
bonds (distance) C4'-P energy: -149.215
bonds (distance) P-C4' energy: -144.317
flat angles C4'-P-C4' energy: -175.787
flat angles P-C4'-P energy: -123.150
tors. eta vs tors. theta energy: -191.371
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2390.171623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.171623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.827667 (E_RNA)
where:
Base-Base interactions energy: -1586.658
where: short stacking energy: -686.520
Base-Backbone interact. energy: -2.863
local terms energy: -803.307323
where:
bonds (distance) C4'-P energy: -151.888
bonds (distance) P-C4' energy: -170.571
flat angles C4'-P-C4' energy: -162.856
flat angles P-C4'-P energy: -114.857
tors. eta vs tors. theta energy: -203.136
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: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2315.597184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.597184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.114335 (E_RNA)
where:
Base-Base interactions energy: -1560.698
where: short stacking energy: -683.336
Base-Backbone interact. energy: -1.568
local terms energy: -759.848711
where:
bonds (distance) C4'-P energy: -152.586
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -162.144
flat angles P-C4'-P energy: -105.955
tors. eta vs tors. theta energy: -193.672
Dist. restrs. and SS energy: 6.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2184.890807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.890807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.919059 (E_RNA)
where:
Base-Base interactions energy: -1464.184
where: short stacking energy: -629.786
Base-Backbone interact. energy: -2.165
local terms energy: -720.569871
where:
bonds (distance) C4'-P energy: -144.435
bonds (distance) P-C4' energy: -148.082
flat angles C4'-P-C4' energy: -161.774
flat angles P-C4'-P energy: -96.230
tors. eta vs tors. theta energy: -170.049
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: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2059.140971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.140971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.666543 (E_RNA)
where:
Base-Base interactions energy: -1371.544
where: short stacking energy: -583.096
Base-Backbone interact. energy: 2.437
local terms energy: -692.559670
where:
bonds (distance) C4'-P energy: -124.417
bonds (distance) P-C4' energy: -153.744
flat angles C4'-P-C4' energy: -159.982
flat angles P-C4'-P energy: -111.120
tors. eta vs tors. theta energy: -143.296
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: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2001.812089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.812089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.901281 (E_RNA)
where:
Base-Base interactions energy: -1355.444
where: short stacking energy: -567.241
Base-Backbone interact. energy: -0.719
local terms energy: -647.738499
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -143.347
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -147.934
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: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1950.539330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.539330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.632158 (E_RNA)
where:
Base-Base interactions energy: -1321.654
where: short stacking energy: -536.866
Base-Backbone interact. energy: -1.815
local terms energy: -629.163081
where:
bonds (distance) C4'-P energy: -141.096
bonds (distance) P-C4' energy: -125.111
flat angles C4'-P-C4' energy: -145.848
flat angles P-C4'-P energy: -76.795
tors. eta vs tors. theta energy: -140.313
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1824.148164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.148164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.455273 (E_RNA)
where:
Base-Base interactions energy: -1267.000
where: short stacking energy: -522.305
Base-Backbone interact. energy: -0.508
local terms energy: -566.946843
where:
bonds (distance) C4'-P energy: -115.398
bonds (distance) P-C4' energy: -124.278
flat angles C4'-P-C4' energy: -109.042
flat angles P-C4'-P energy: -76.667
tors. eta vs tors. theta energy: -141.561
Dist. restrs. and SS energy: 10.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2692.442271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.442271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.839065 (E_RNA)
where:
Base-Base interactions energy: -1849.068
where: short stacking energy: -790.528
Base-Backbone interact. energy: 2.910
local terms energy: -847.681317
where:
bonds (distance) C4'-P energy: -156.977
bonds (distance) P-C4' energy: -160.717
flat angles C4'-P-C4' energy: -182.371
flat angles P-C4'-P energy: -121.645
tors. eta vs tors. theta energy: -225.972
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: 39
Temperature: 0.950000
Total energy: -2726.167912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.167912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.559753 (E_RNA)
where:
Base-Base interactions energy: -1891.903
where: short stacking energy: -814.022
Base-Backbone interact. energy: -1.744
local terms energy: -833.913060
where:
bonds (distance) C4'-P energy: -145.774
bonds (distance) P-C4' energy: -152.375
flat angles C4'-P-C4' energy: -175.059
flat angles P-C4'-P energy: -124.243
tors. eta vs tors. theta energy: -236.462
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: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2451.989334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.989334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.062814 (E_RNA)
where:
Base-Base interactions energy: -1651.370
where: short stacking energy: -730.898
Base-Backbone interact. energy: -1.032
local terms energy: -803.660115
where:
bonds (distance) C4'-P energy: -161.133
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -178.996
flat angles P-C4'-P energy: -108.059
tors. eta vs tors. theta energy: -201.510
Dist. restrs. and SS energy: 4.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2362.952029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.952029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.105289 (E_RNA)
where:
Base-Base interactions energy: -1605.049
where: short stacking energy: -709.798
Base-Backbone interact. energy: 4.826
local terms energy: -764.882221
where:
bonds (distance) C4'-P energy: -150.402
bonds (distance) P-C4' energy: -126.424
flat angles C4'-P-C4' energy: -163.267
flat angles P-C4'-P energy: -120.569
tors. eta vs tors. theta energy: -204.220
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2273.291119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.291119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.004788 (E_RNA)
where:
Base-Base interactions energy: -1525.365
where: short stacking energy: -659.306
Base-Backbone interact. energy: -1.218
local terms energy: -754.421932
where:
bonds (distance) C4'-P energy: -147.482
bonds (distance) P-C4' energy: -147.083
flat angles C4'-P-C4' energy: -164.340
flat angles P-C4'-P energy: -106.321
tors. eta vs tors. theta energy: -189.196
Dist. restrs. and SS energy: 7.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2182.286190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.286190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.723320 (E_RNA)
where:
Base-Base interactions energy: -1468.539
where: short stacking energy: -647.590
Base-Backbone interact. energy: 3.306
local terms energy: -718.491069
where:
bonds (distance) C4'-P energy: -135.253
bonds (distance) P-C4' energy: -148.506
flat angles C4'-P-C4' energy: -164.678
flat angles P-C4'-P energy: -91.215
tors. eta vs tors. theta energy: -178.840
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: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2080.167196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.167196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.028606 (E_RNA)
where:
Base-Base interactions energy: -1403.711
where: short stacking energy: -590.842
Base-Backbone interact. energy: 2.620
local terms energy: -680.937987
where:
bonds (distance) C4'-P energy: -132.138
bonds (distance) P-C4' energy: -148.325
flat angles C4'-P-C4' energy: -154.564
flat angles P-C4'-P energy: -88.072
tors. eta vs tors. theta energy: -157.838
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: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2018.147786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.147786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.539577 (E_RNA)
where:
Base-Base interactions energy: -1404.042
where: short stacking energy: -573.580
Base-Backbone interact. energy: 0.266
local terms energy: -615.763478
where:
bonds (distance) C4'-P energy: -133.960
bonds (distance) P-C4' energy: -103.018
flat angles C4'-P-C4' energy: -143.586
flat angles P-C4'-P energy: -98.751
tors. eta vs tors. theta energy: -136.448
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -2008.620695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.620695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.005843 (E_RNA)
where:
Base-Base interactions energy: -1370.407
where: short stacking energy: -574.090
Base-Backbone interact. energy: -4.261
local terms energy: -635.337378
where:
bonds (distance) C4'-P energy: -124.105
bonds (distance) P-C4' energy: -151.773
flat angles C4'-P-C4' energy: -128.082
flat angles P-C4'-P energy: -82.806
tors. eta vs tors. theta energy: -148.572
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: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1904.820771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.820771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.642877 (E_RNA)
where:
Base-Base interactions energy: -1296.437
where: short stacking energy: -536.711
Base-Backbone interact. energy: -2.301
local terms energy: -610.905521
where:
bonds (distance) C4'-P energy: -120.507
bonds (distance) P-C4' energy: -141.624
flat angles C4'-P-C4' energy: -140.824
flat angles P-C4'-P energy: -74.532
tors. eta vs tors. theta energy: -133.419
Dist. restrs. and SS energy: 4.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2750.163021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.163021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.033712 (E_RNA)
where:
Base-Base interactions energy: -1892.163
where: short stacking energy: -804.547
Base-Backbone interact. energy: -2.912
local terms energy: -856.959049
where:
bonds (distance) C4'-P energy: -152.590
bonds (distance) P-C4' energy: -153.323
flat angles C4'-P-C4' energy: -193.230
flat angles P-C4'-P energy: -129.893
tors. eta vs tors. theta energy: -227.924
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2598.775125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.775125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.857013 (E_RNA)
where:
Base-Base interactions energy: -1794.867
where: short stacking energy: -768.970
Base-Backbone interact. energy: 3.164
local terms energy: -808.154124
where:
bonds (distance) C4'-P energy: -161.780
bonds (distance) P-C4' energy: -153.131
flat angles C4'-P-C4' energy: -172.577
flat angles P-C4'-P energy: -110.437
tors. eta vs tors. theta energy: -210.229
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2436.307012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.307012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.182166 (E_RNA)
where:
Base-Base interactions energy: -1646.219
where: short stacking energy: -719.561
Base-Backbone interact. energy: -2.353
local terms energy: -790.609853
where:
bonds (distance) C4'-P energy: -150.887
bonds (distance) P-C4' energy: -159.343
flat angles C4'-P-C4' energy: -166.847
flat angles P-C4'-P energy: -118.543
tors. eta vs tors. theta energy: -194.989
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: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2327.883886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.883886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.152664 (E_RNA)
where:
Base-Base interactions energy: -1576.513
where: short stacking energy: -671.260
Base-Backbone interact. energy: 0.347
local terms energy: -753.986656
where:
bonds (distance) C4'-P energy: -130.710
bonds (distance) P-C4' energy: -154.233
flat angles C4'-P-C4' energy: -173.404
flat angles P-C4'-P energy: -105.888
tors. eta vs tors. theta energy: -189.752
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: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2269.207649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.207649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.032514 (E_RNA)
where:
Base-Base interactions energy: -1538.783
where: short stacking energy: -685.574
Base-Backbone interact. energy: -1.957
local terms energy: -736.293157
where:
bonds (distance) C4'-P energy: -158.276
bonds (distance) P-C4' energy: -129.594
flat angles C4'-P-C4' energy: -151.216
flat angles P-C4'-P energy: -93.039
tors. eta vs tors. theta energy: -204.168
Dist. restrs. and SS energy: 7.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2143.131629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.131629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.898606 (E_RNA)
where:
Base-Base interactions energy: -1445.272
where: short stacking energy: -627.529
Base-Backbone interact. energy: -5.552
local terms energy: -694.074807
where:
bonds (distance) C4'-P energy: -121.888
bonds (distance) P-C4' energy: -150.472
flat angles C4'-P-C4' energy: -153.806
flat angles P-C4'-P energy: -101.697
tors. eta vs tors. theta energy: -166.213
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2095.358461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.358461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.718502 (E_RNA)
where:
Base-Base interactions energy: -1436.775
where: short stacking energy: -624.059
Base-Backbone interact. energy: -0.952
local terms energy: -659.991869
where:
bonds (distance) C4'-P energy: -123.438
bonds (distance) P-C4' energy: -133.791
flat angles C4'-P-C4' energy: -145.581
flat angles P-C4'-P energy: -89.132
tors. eta vs tors. theta energy: -168.050
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: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2048.225556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.225556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.049243 (E_RNA)
where:
Base-Base interactions energy: -1397.934
where: short stacking energy: -596.577
Base-Backbone interact. energy: -0.595
local terms energy: -652.520136
where:
bonds (distance) C4'-P energy: -139.403
bonds (distance) P-C4' energy: -115.564
flat angles C4'-P-C4' energy: -147.580
flat angles P-C4'-P energy: -84.997
tors. eta vs tors. theta energy: -164.977
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: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1966.680079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.680079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.976335 (E_RNA)
where:
Base-Base interactions energy: -1326.822
where: short stacking energy: -552.287
Base-Backbone interact. energy: -1.189
local terms energy: -640.964804
where:
bonds (distance) C4'-P energy: -118.627
bonds (distance) P-C4' energy: -141.915
flat angles C4'-P-C4' energy: -141.894
flat angles P-C4'-P energy: -88.464
tors. eta vs tors. theta energy: -150.065
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1844.546820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.546820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.507380 (E_RNA)
where:
Base-Base interactions energy: -1268.642
where: short stacking energy: -525.831
Base-Backbone interact. energy: 3.305
local terms energy: -582.170023
where:
bonds (distance) C4'-P energy: -98.484
bonds (distance) P-C4' energy: -134.204
flat angles C4'-P-C4' energy: -139.834
flat angles P-C4'-P energy: -68.384
tors. eta vs tors. theta energy: -141.265
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: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2790.593787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.593787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.625922 (E_RNA)
where:
Base-Base interactions energy: -1930.581
where: short stacking energy: -801.688
Base-Backbone interact. energy: -6.784
local terms energy: -854.261168
where:
bonds (distance) C4'-P energy: -171.788
bonds (distance) P-C4' energy: -147.287
flat angles C4'-P-C4' energy: -182.307
flat angles P-C4'-P energy: -118.359
tors. eta vs tors. theta energy: -234.520
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2640.560310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.560310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.013816 (E_RNA)
where:
Base-Base interactions energy: -1807.944
where: short stacking energy: -773.730
Base-Backbone interact. energy: 6.596
local terms energy: -842.665968
where:
bonds (distance) C4'-P energy: -164.286
bonds (distance) P-C4' energy: -150.667
flat angles C4'-P-C4' energy: -192.740
flat angles P-C4'-P energy: -120.442
tors. eta vs tors. theta energy: -214.532
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2422.087459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.087459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.980795 (E_RNA)
where:
Base-Base interactions energy: -1632.082
where: short stacking energy: -714.261
Base-Backbone interact. energy: -1.782
local terms energy: -791.116919
where:
bonds (distance) C4'-P energy: -144.961
bonds (distance) P-C4' energy: -139.097
flat angles C4'-P-C4' energy: -190.753
flat angles P-C4'-P energy: -120.695
tors. eta vs tors. theta energy: -195.610
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2382.527844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.527844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.425761 (E_RNA)
where:
Base-Base interactions energy: -1571.629
where: short stacking energy: -678.511
Base-Backbone interact. energy: -1.757
local terms energy: -812.039378
where:
bonds (distance) C4'-P energy: -162.318
bonds (distance) P-C4' energy: -166.859
flat angles C4'-P-C4' energy: -169.098
flat angles P-C4'-P energy: -116.270
tors. eta vs tors. theta energy: -197.495
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: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2239.504630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.504630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.517283 (E_RNA)
where:
Base-Base interactions energy: -1527.603
where: short stacking energy: -624.117
Base-Backbone interact. energy: 1.199
local terms energy: -720.113655
where:
bonds (distance) C4'-P energy: -152.214
bonds (distance) P-C4' energy: -133.215
flat angles C4'-P-C4' energy: -161.414
flat angles P-C4'-P energy: -108.133
tors. eta vs tors. theta energy: -165.138
Dist. restrs. and SS energy: 7.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2169.071987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.071987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.533464 (E_RNA)
where:
Base-Base interactions energy: -1451.901
where: short stacking energy: -633.809
Base-Backbone interact. energy: 1.135
local terms energy: -721.767709
where:
bonds (distance) C4'-P energy: -144.671
bonds (distance) P-C4' energy: -145.681
flat angles C4'-P-C4' energy: -159.121
flat angles P-C4'-P energy: -99.823
tors. eta vs tors. theta energy: -172.472
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: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2130.750755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.750755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.083897 (E_RNA)
where:
Base-Base interactions energy: -1436.599
where: short stacking energy: -641.332
Base-Backbone interact. energy: -0.492
local terms energy: -695.992657
where:
bonds (distance) C4'-P energy: -124.435
bonds (distance) P-C4' energy: -141.820
flat angles C4'-P-C4' energy: -159.297
flat angles P-C4'-P energy: -92.004
tors. eta vs tors. theta energy: -178.437
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: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2092.715388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.715388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.350414 (E_RNA)
where:
Base-Base interactions energy: -1433.056
where: short stacking energy: -591.829
Base-Backbone interact. energy: 1.263
local terms energy: -663.557586
where:
bonds (distance) C4'-P energy: -130.446
bonds (distance) P-C4' energy: -133.528
flat angles C4'-P-C4' energy: -149.454
flat angles P-C4'-P energy: -91.253
tors. eta vs tors. theta energy: -158.876
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: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1948.843717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.843717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.927897 (E_RNA)
where:
Base-Base interactions energy: -1329.202
where: short stacking energy: -574.615
Base-Backbone interact. energy: -1.649
local terms energy: -621.076716
where:
bonds (distance) C4'-P energy: -118.758
bonds (distance) P-C4' energy: -139.481
flat angles C4'-P-C4' energy: -128.394
flat angles P-C4'-P energy: -90.274
tors. eta vs tors. theta energy: -144.171
Dist. restrs. and SS energy: 3.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1819.822067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.822067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.775479 (E_RNA)
where:
Base-Base interactions energy: -1229.211
where: short stacking energy: -495.010
Base-Backbone interact. energy: -0.632
local terms energy: -594.931813
where:
bonds (distance) C4'-P energy: -144.933
bonds (distance) P-C4' energy: -138.243
flat angles C4'-P-C4' energy: -123.539
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -119.074
Dist. restrs. and SS energy: 4.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2807.446783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.446783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.951064 (E_RNA)
where:
Base-Base interactions energy: -1925.800
where: short stacking energy: -816.851
Base-Backbone interact. energy: -1.594
local terms energy: -881.556834
where:
bonds (distance) C4'-P energy: -171.667
bonds (distance) P-C4' energy: -163.800
flat angles C4'-P-C4' energy: -185.105
flat angles P-C4'-P energy: -127.545
tors. eta vs tors. theta energy: -233.439
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: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2657.318051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.318051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.389698 (E_RNA)
where:
Base-Base interactions energy: -1830.814
where: short stacking energy: -767.085
Base-Backbone interact. energy: 4.795
local terms energy: -834.370811
where:
bonds (distance) C4'-P energy: -149.622
bonds (distance) P-C4' energy: -171.453
flat angles C4'-P-C4' energy: -164.357
flat angles P-C4'-P energy: -128.544
tors. eta vs tors. theta energy: -220.396
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: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2444.507402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.507402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.732890 (E_RNA)
where:
Base-Base interactions energy: -1623.399
where: short stacking energy: -741.901
Base-Backbone interact. energy: 0.040
local terms energy: -824.374277
where:
bonds (distance) C4'-P energy: -153.442
bonds (distance) P-C4' energy: -161.262
flat angles C4'-P-C4' energy: -176.857
flat angles P-C4'-P energy: -128.620
tors. eta vs tors. theta energy: -204.193
Dist. restrs. and SS energy: 3.225 (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: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2430.740143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.740143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.933374 (E_RNA)
where:
Base-Base interactions energy: -1603.566
where: short stacking energy: -719.509
Base-Backbone interact. energy: 0.294
local terms energy: -829.660985
where:
bonds (distance) C4'-P energy: -164.780
bonds (distance) P-C4' energy: -152.519
flat angles C4'-P-C4' energy: -178.648
flat angles P-C4'-P energy: -121.255
tors. eta vs tors. theta energy: -212.459
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2261.942127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.942127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.499060 (E_RNA)
where:
Base-Base interactions energy: -1520.108
where: short stacking energy: -649.869
Base-Backbone interact. energy: 5.189
local terms energy: -751.580181
where:
bonds (distance) C4'-P energy: -141.185
bonds (distance) P-C4' energy: -158.285
flat angles C4'-P-C4' energy: -165.876
flat angles P-C4'-P energy: -109.254
tors. eta vs tors. theta energy: -176.980
Dist. restrs. and SS energy: 4.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2174.522306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.522306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.647325 (E_RNA)
where:
Base-Base interactions energy: -1461.132
where: short stacking energy: -648.330
Base-Backbone interact. energy: 2.178
local terms energy: -717.693092
where:
bonds (distance) C4'-P energy: -138.712
bonds (distance) P-C4' energy: -139.513
flat angles C4'-P-C4' energy: -166.354
flat angles P-C4'-P energy: -93.102
tors. eta vs tors. theta energy: -180.012
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2154.279844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.279844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.780595 (E_RNA)
where:
Base-Base interactions energy: -1440.475
where: short stacking energy: -627.547
Base-Backbone interact. energy: -1.942
local terms energy: -715.363309
where:
bonds (distance) C4'-P energy: -132.616
bonds (distance) P-C4' energy: -141.970
flat angles C4'-P-C4' energy: -154.732
flat angles P-C4'-P energy: -101.868
tors. eta vs tors. theta energy: -184.178
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: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1988.029122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.029122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.918103 (E_RNA)
where:
Base-Base interactions energy: -1317.769
where: short stacking energy: -560.762
Base-Backbone interact. energy: 0.844
local terms energy: -673.993644
where:
bonds (distance) C4'-P energy: -132.907
bonds (distance) P-C4' energy: -133.790
flat angles C4'-P-C4' energy: -148.880
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -159.936
Dist. restrs. and SS energy: 2.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1946.411815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.411815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.112686 (E_RNA)
where:
Base-Base interactions energy: -1312.539
where: short stacking energy: -584.972
Base-Backbone interact. energy: -0.524
local terms energy: -636.050190
where:
bonds (distance) C4'-P energy: -115.200
bonds (distance) P-C4' energy: -145.664
flat angles C4'-P-C4' energy: -145.310
flat angles P-C4'-P energy: -75.786
tors. eta vs tors. theta energy: -154.090
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1905.326992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.326992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.771476 (E_RNA)
where:
Base-Base interactions energy: -1307.722
where: short stacking energy: -539.031
Base-Backbone interact. energy: 2.799
local terms energy: -604.847749
where:
bonds (distance) C4'-P energy: -124.927
bonds (distance) P-C4' energy: -128.302
flat angles C4'-P-C4' energy: -133.883
flat angles P-C4'-P energy: -72.350
tors. eta vs tors. theta energy: -145.385
Dist. restrs. and SS energy: 4.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2784.773373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.773373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.765572 (E_RNA)
where:
Base-Base interactions energy: -1947.842
where: short stacking energy: -798.799
Base-Backbone interact. energy: -3.052
local terms energy: -834.871964
where:
bonds (distance) C4'-P energy: -172.087
bonds (distance) P-C4' energy: -151.428
flat angles C4'-P-C4' energy: -179.181
flat angles P-C4'-P energy: -115.734
tors. eta vs tors. theta energy: -216.442
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: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2645.154524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.977750 (E_RNA)
where:
Base-Base interactions energy: -1791.335
where: short stacking energy: -784.777
Base-Backbone interact. energy: -3.864
local terms energy: -852.778976
where:
bonds (distance) C4'-P energy: -152.395
bonds (distance) P-C4' energy: -156.799
flat angles C4'-P-C4' energy: -184.785
flat angles P-C4'-P energy: -136.143
tors. eta vs tors. theta energy: -222.656
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2411.666984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.666984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.916854 (E_RNA)
where:
Base-Base interactions energy: -1628.932
where: short stacking energy: -726.765
Base-Backbone interact. energy: 4.058
local terms energy: -791.043252
where:
bonds (distance) C4'-P energy: -155.849
bonds (distance) P-C4' energy: -155.959
flat angles C4'-P-C4' energy: -152.771
flat angles P-C4'-P energy: -110.187
tors. eta vs tors. theta energy: -216.277
Dist. restrs. and SS energy: 4.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2353.985759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.985759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.016460 (E_RNA)
where:
Base-Base interactions energy: -1573.773
where: short stacking energy: -689.204
Base-Backbone interact. energy: -2.826
local terms energy: -780.418075
where:
bonds (distance) C4'-P energy: -124.382
bonds (distance) P-C4' energy: -158.758
flat angles C4'-P-C4' energy: -175.670
flat angles P-C4'-P energy: -116.879
tors. eta vs tors. theta energy: -204.729
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2231.371771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.371771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.227112 (E_RNA)
where:
Base-Base interactions energy: -1510.935
where: short stacking energy: -658.458
Base-Backbone interact. energy: -3.496
local terms energy: -725.795627
where:
bonds (distance) C4'-P energy: -131.529
bonds (distance) P-C4' energy: -139.017
flat angles C4'-P-C4' energy: -160.187
flat angles P-C4'-P energy: -104.071
tors. eta vs tors. theta energy: -190.992
Dist. restrs. and SS energy: 8.855 (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: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2080.547029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.547029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.541500 (E_RNA)
where:
Base-Base interactions energy: -1392.446
where: short stacking energy: -614.277
Base-Backbone interact. energy: 1.670
local terms energy: -692.765242
where:
bonds (distance) C4'-P energy: -141.697
bonds (distance) P-C4' energy: -129.830
flat angles C4'-P-C4' energy: -169.023
flat angles P-C4'-P energy: -87.202
tors. eta vs tors. theta energy: -165.013
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: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2088.312361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.312361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.141995 (E_RNA)
where:
Base-Base interactions energy: -1403.103
where: short stacking energy: -595.924
Base-Backbone interact. energy: -0.953
local terms energy: -687.086076
where:
bonds (distance) C4'-P energy: -147.172
bonds (distance) P-C4' energy: -136.204
flat angles C4'-P-C4' energy: -151.181
flat angles P-C4'-P energy: -92.975
tors. eta vs tors. theta energy: -159.554
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: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2028.494579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.494579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.452990 (E_RNA)
where:
Base-Base interactions energy: -1363.932
where: short stacking energy: -570.882
Base-Backbone interact. energy: -5.686
local terms energy: -660.835043
where:
bonds (distance) C4'-P energy: -140.789
bonds (distance) P-C4' energy: -129.712
flat angles C4'-P-C4' energy: -151.179
flat angles P-C4'-P energy: -77.438
tors. eta vs tors. theta energy: -161.718
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: 9, replica: 3
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1972.472458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.472458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.412796 (E_RNA)
where:
Base-Base interactions energy: -1319.989
where: short stacking energy: -539.427
Base-Backbone interact. energy: -2.118
local terms energy: -652.305416
where:
bonds (distance) C4'-P energy: -126.511
bonds (distance) P-C4' energy: -136.523
flat angles C4'-P-C4' energy: -134.818
flat angles P-C4'-P energy: -115.460
tors. eta vs tors. theta energy: -138.994
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: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1899.971485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.971485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.559057 (E_RNA)
where:
Base-Base interactions energy: -1278.274
where: short stacking energy: -569.775
Base-Backbone interact. energy: 6.885
local terms energy: -632.169684
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -128.492
flat angles C4'-P-C4' energy: -132.405
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -160.244
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2775.688285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.688285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.802524 (E_RNA)
where:
Base-Base interactions energy: -1892.266
where: short stacking energy: -838.960
Base-Backbone interact. energy: 0.042
local terms energy: -884.579323
where:
bonds (distance) C4'-P energy: -165.572
bonds (distance) P-C4' energy: -168.267
flat angles C4'-P-C4' energy: -187.169
flat angles P-C4'-P energy: -121.193
tors. eta vs tors. theta energy: -242.377
Dist. restrs. and SS energy: 1.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2625.312024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.312024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.143003 (E_RNA)
where:
Base-Base interactions energy: -1796.014
where: short stacking energy: -772.073
Base-Backbone interact. energy: -1.850
local terms energy: -830.279091
where:
bonds (distance) C4'-P energy: -144.864
bonds (distance) P-C4' energy: -158.842
flat angles C4'-P-C4' energy: -173.825
flat angles P-C4'-P energy: -131.411
tors. eta vs tors. theta energy: -221.337
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: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2428.577077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.577077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.897978 (E_RNA)
where:
Base-Base interactions energy: -1578.748
where: short stacking energy: -700.054
Base-Backbone interact. energy: 6.364
local terms energy: -858.514418
where:
bonds (distance) C4'-P energy: -163.058
bonds (distance) P-C4' energy: -161.070
flat angles C4'-P-C4' energy: -196.372
flat angles P-C4'-P energy: -121.140
tors. eta vs tors. theta energy: -216.874
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2363.353448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.416412 (E_RNA)
where:
Base-Base interactions energy: -1619.804
where: short stacking energy: -702.203
Base-Backbone interact. energy: 1.506
local terms energy: -748.118418
where:
bonds (distance) C4'-P energy: -124.181
bonds (distance) P-C4' energy: -156.760
flat angles C4'-P-C4' energy: -156.091
flat angles P-C4'-P energy: -108.196
tors. eta vs tors. theta energy: -202.891
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: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2222.042122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.042122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.716866 (E_RNA)
where:
Base-Base interactions energy: -1521.762
where: short stacking energy: -682.481
Base-Backbone interact. energy: -2.723
local terms energy: -702.232068
where:
bonds (distance) C4'-P energy: -127.972
bonds (distance) P-C4' energy: -136.826
flat angles C4'-P-C4' energy: -157.641
flat angles P-C4'-P energy: -87.068
tors. eta vs tors. theta energy: -192.725
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2150.542205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.542205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.041678 (E_RNA)
where:
Base-Base interactions energy: -1457.651
where: short stacking energy: -643.057
Base-Backbone interact. energy: -0.731
local terms energy: -693.659546
where:
bonds (distance) C4'-P energy: -125.932
bonds (distance) P-C4' energy: -146.084
flat angles C4'-P-C4' energy: -156.597
flat angles P-C4'-P energy: -107.836
tors. eta vs tors. theta energy: -157.211
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2128.293409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.293409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.051749 (E_RNA)
where:
Base-Base interactions energy: -1410.879
where: short stacking energy: -597.094
Base-Backbone interact. energy: 0.697
local terms energy: -720.869681
where:
bonds (distance) C4'-P energy: -132.734
bonds (distance) P-C4' energy: -146.817
flat angles C4'-P-C4' energy: -169.804
flat angles P-C4'-P energy: -112.390
tors. eta vs tors. theta energy: -159.125
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: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2054.378177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.378177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.908368 (E_RNA)
where:
Base-Base interactions energy: -1408.194
where: short stacking energy: -594.666
Base-Backbone interact. energy: 4.808
local terms energy: -652.522161
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -136.031
flat angles C4'-P-C4' energy: -158.722
flat angles P-C4'-P energy: -94.729
tors. eta vs tors. theta energy: -149.184
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: 9, replica: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1926.850531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.850531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.757775 (E_RNA)
where:
Base-Base interactions energy: -1296.518
where: short stacking energy: -559.057
Base-Backbone interact. energy: -5.116
local terms energy: -628.123718
where:
bonds (distance) C4'-P energy: -124.208
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -132.611
flat angles P-C4'-P energy: -90.157
tors. eta vs tors. theta energy: -149.256
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1907.337917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.337917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.200717 (E_RNA)
where:
Base-Base interactions energy: -1271.781
where: short stacking energy: -538.123
Base-Backbone interact. energy: -3.923
local terms energy: -634.495932
where:
bonds (distance) C4'-P energy: -126.405
bonds (distance) P-C4' energy: -131.792
flat angles C4'-P-C4' energy: -147.346
flat angles P-C4'-P energy: -81.653
tors. eta vs tors. theta energy: -147.300
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: 45
Temperature: 0.900000
Total energy: -2762.489891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.489891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.451142 (E_RNA)
where:
Base-Base interactions energy: -1902.373
where: short stacking energy: -810.567
Base-Backbone interact. energy: -0.626
local terms energy: -861.451765
where:
bonds (distance) C4'-P energy: -143.859
bonds (distance) P-C4' energy: -169.424
flat angles C4'-P-C4' energy: -181.739
flat angles P-C4'-P energy: -125.015
tors. eta vs tors. theta energy: -241.415
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2682.437230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.437230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.030247 (E_RNA)
where:
Base-Base interactions energy: -1807.664
where: short stacking energy: -789.826
Base-Backbone interact. energy: -0.682
local terms energy: -876.684788
where:
bonds (distance) C4'-P energy: -175.425
bonds (distance) P-C4' energy: -158.429
flat angles C4'-P-C4' energy: -186.605
flat angles P-C4'-P energy: -128.937
tors. eta vs tors. theta energy: -227.289
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: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2435.829802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.829802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.560512 (E_RNA)
where:
Base-Base interactions energy: -1652.502
where: short stacking energy: -737.473
Base-Backbone interact. energy: -2.338
local terms energy: -782.720767
where:
bonds (distance) C4'-P energy: -134.213
bonds (distance) P-C4' energy: -148.669
flat angles C4'-P-C4' energy: -165.563
flat angles P-C4'-P energy: -122.237
tors. eta vs tors. theta energy: -212.039
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: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2394.742533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.742533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.612106 (E_RNA)
where:
Base-Base interactions energy: -1618.475
where: short stacking energy: -703.884
Base-Backbone interact. energy: -3.107
local terms energy: -777.029982
where:
bonds (distance) C4'-P energy: -152.747
bonds (distance) P-C4' energy: -148.775
flat angles C4'-P-C4' energy: -167.110
flat angles P-C4'-P energy: -115.199
tors. eta vs tors. theta energy: -193.199
Dist. restrs. and SS energy: 3.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2218.195980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.195980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.041755 (E_RNA)
where:
Base-Base interactions energy: -1484.430
where: short stacking energy: -646.488
Base-Backbone interact. energy: -2.612
local terms energy: -735.999534
where:
bonds (distance) C4'-P energy: -142.269
bonds (distance) P-C4' energy: -141.144
flat angles C4'-P-C4' energy: -169.933
flat angles P-C4'-P energy: -109.339
tors. eta vs tors. theta energy: -173.315
Dist. restrs. and SS energy: 4.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2168.059359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.059359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.421248 (E_RNA)
where:
Base-Base interactions energy: -1461.757
where: short stacking energy: -632.714
Base-Backbone interact. energy: -2.246
local terms energy: -706.418398
where:
bonds (distance) C4'-P energy: -144.714
bonds (distance) P-C4' energy: -137.794
flat angles C4'-P-C4' energy: -161.967
flat angles P-C4'-P energy: -105.907
tors. eta vs tors. theta energy: -156.037
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: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2053.067611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.067611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.754836 (E_RNA)
where:
Base-Base interactions energy: -1380.539
where: short stacking energy: -578.999
Base-Backbone interact. energy: 1.872
local terms energy: -676.088149
where:
bonds (distance) C4'-P energy: -141.504
bonds (distance) P-C4' energy: -143.479
flat angles C4'-P-C4' energy: -145.256
flat angles P-C4'-P energy: -93.087
tors. eta vs tors. theta energy: -152.762
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: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2026.425921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.425921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.720385 (E_RNA)
where:
Base-Base interactions energy: -1390.476
where: short stacking energy: -611.618
Base-Backbone interact. energy: -1.780
local terms energy: -637.465057
where:
bonds (distance) C4'-P energy: -112.615
bonds (distance) P-C4' energy: -129.141
flat angles C4'-P-C4' energy: -148.754
flat angles P-C4'-P energy: -89.538
tors. eta vs tors. theta energy: -157.416
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: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1968.830830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.830830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.526372 (E_RNA)
where:
Base-Base interactions energy: -1358.770
where: short stacking energy: -563.818
Base-Backbone interact. energy: 7.305
local terms energy: -620.060574
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -126.977
flat angles C4'-P-C4' energy: -130.948
flat angles P-C4'-P energy: -72.688
tors. eta vs tors. theta energy: -150.750
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1886.017023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.017023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.037585 (E_RNA)
where:
Base-Base interactions energy: -1260.216
where: short stacking energy: -506.883
Base-Backbone interact. energy: 0.773
local terms energy: -629.594601
where:
bonds (distance) C4'-P energy: -124.768
bonds (distance) P-C4' energy: -133.227
flat angles C4'-P-C4' energy: -134.908
flat angles P-C4'-P energy: -82.164
tors. eta vs tors. theta energy: -154.528
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: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2708.051041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.051041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.534101 (E_RNA)
where:
Base-Base interactions energy: -1846.531
where: short stacking energy: -776.547
Base-Backbone interact. energy: -0.542
local terms energy: -862.460464
where:
bonds (distance) C4'-P energy: -165.920
bonds (distance) P-C4' energy: -168.617
flat angles C4'-P-C4' energy: -193.917
flat angles P-C4'-P energy: -112.043
tors. eta vs tors. theta energy: -221.964
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: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2687.227945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.227945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.631936 (E_RNA)
where:
Base-Base interactions energy: -1846.884
where: short stacking energy: -818.229
Base-Backbone interact. energy: -3.686
local terms energy: -838.062029
where:
bonds (distance) C4'-P energy: -146.704
bonds (distance) P-C4' energy: -153.597
flat angles C4'-P-C4' energy: -179.733
flat angles P-C4'-P energy: -126.947
tors. eta vs tors. theta energy: -231.081
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2456.499390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.499390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.640956 (E_RNA)
where:
Base-Base interactions energy: -1656.760
where: short stacking energy: -743.944
Base-Backbone interact. energy: -2.359
local terms energy: -798.521702
where:
bonds (distance) C4'-P energy: -158.180
bonds (distance) P-C4' energy: -148.302
flat angles C4'-P-C4' energy: -179.561
flat angles P-C4'-P energy: -119.275
tors. eta vs tors. theta energy: -193.204
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: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2361.591213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.591213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.776091 (E_RNA)
where:
Base-Base interactions energy: -1586.467
where: short stacking energy: -694.018
Base-Backbone interact. energy: -2.600
local terms energy: -775.709096
where:
bonds (distance) C4'-P energy: -148.166
bonds (distance) P-C4' energy: -159.141
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -109.460
tors. eta vs tors. theta energy: -194.323
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2247.371613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.371613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.939841 (E_RNA)
where:
Base-Base interactions energy: -1464.963
where: short stacking energy: -631.953
Base-Backbone interact. energy: 1.134
local terms energy: -789.111372
where:
bonds (distance) C4'-P energy: -164.655
bonds (distance) P-C4' energy: -148.084
flat angles C4'-P-C4' energy: -178.484
flat angles P-C4'-P energy: -118.199
tors. eta vs tors. theta energy: -179.690
Dist. restrs. and SS energy: 5.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2191.392551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.392551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.023819 (E_RNA)
where:
Base-Base interactions energy: -1475.157
where: short stacking energy: -661.896
Base-Backbone interact. energy: -5.080
local terms energy: -716.787110
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -150.188
flat angles C4'-P-C4' energy: -167.561
flat angles P-C4'-P energy: -86.621
tors. eta vs tors. theta energy: -175.837
Dist. restrs. and SS energy: 5.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2057.457531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.457531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.114123 (E_RNA)
where:
Base-Base interactions energy: -1380.024
where: short stacking energy: -610.655
Base-Backbone interact. energy: -1.294
local terms energy: -678.796758
where:
bonds (distance) C4'-P energy: -136.687
bonds (distance) P-C4' energy: -139.347
flat angles C4'-P-C4' energy: -153.983
flat angles P-C4'-P energy: -93.752
tors. eta vs tors. theta energy: -155.027
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1974.229301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.229301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.869766 (E_RNA)
where:
Base-Base interactions energy: -1331.263
where: short stacking energy: -570.802
Base-Backbone interact. energy: -2.517
local terms energy: -644.089434
where:
bonds (distance) C4'-P energy: -116.463
bonds (distance) P-C4' energy: -130.877
flat angles C4'-P-C4' energy: -149.100
flat angles P-C4'-P energy: -94.275
tors. eta vs tors. theta energy: -153.375
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: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1954.881103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.881103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.720986 (E_RNA)
where:
Base-Base interactions energy: -1320.874
where: short stacking energy: -560.312
Base-Backbone interact. energy: 0.962
local terms energy: -640.808922
where:
bonds (distance) C4'-P energy: -126.019
bonds (distance) P-C4' energy: -136.675
flat angles C4'-P-C4' energy: -142.264
flat angles P-C4'-P energy: -83.279
tors. eta vs tors. theta energy: -152.572
Dist. restrs. and SS energy: 5.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1859.937895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.937895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.843811 (E_RNA)
where:
Base-Base interactions energy: -1271.217
where: short stacking energy: -511.862
Base-Backbone interact. energy: -2.447
local terms energy: -590.179905
where:
bonds (distance) C4'-P energy: -127.112
bonds (distance) P-C4' energy: -126.270
flat angles C4'-P-C4' energy: -131.660
flat angles P-C4'-P energy: -77.879
tors. eta vs tors. theta energy: -127.259
Dist. restrs. and SS energy: 3.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2746.892507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.892507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.220261 (E_RNA)
where:
Base-Base interactions energy: -1879.303
where: short stacking energy: -805.373
Base-Backbone interact. energy: -6.679
local terms energy: -862.238283
where:
bonds (distance) C4'-P energy: -151.223
bonds (distance) P-C4' energy: -179.376
flat angles C4'-P-C4' energy: -189.122
flat angles P-C4'-P energy: -110.114
tors. eta vs tors. theta energy: -232.403
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2677.689218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.689218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.755875 (E_RNA)
where:
Base-Base interactions energy: -1850.033
where: short stacking energy: -810.529
Base-Backbone interact. energy: -3.323
local terms energy: -825.399383
where:
bonds (distance) C4'-P energy: -138.372
bonds (distance) P-C4' energy: -150.685
flat angles C4'-P-C4' energy: -196.103
flat angles P-C4'-P energy: -116.223
tors. eta vs tors. theta energy: -224.016
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: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2464.771173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.771173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.052723 (E_RNA)
where:
Base-Base interactions energy: -1668.200
where: short stacking energy: -760.018
Base-Backbone interact. energy: -0.337
local terms energy: -797.515733
where:
bonds (distance) C4'-P energy: -160.016
bonds (distance) P-C4' energy: -139.346
flat angles C4'-P-C4' energy: -156.645
flat angles P-C4'-P energy: -117.264
tors. eta vs tors. theta energy: -224.245
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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2361.778348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.778348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.118279 (E_RNA)
where:
Base-Base interactions energy: -1584.799
where: short stacking energy: -681.320
Base-Backbone interact. energy: -2.986
local terms energy: -777.332962
where:
bonds (distance) C4'-P energy: -154.688
bonds (distance) P-C4' energy: -142.629
flat angles C4'-P-C4' energy: -174.531
flat angles P-C4'-P energy: -113.823
tors. eta vs tors. theta energy: -191.662
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2270.094782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.094782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.084778 (E_RNA)
where:
Base-Base interactions energy: -1564.948
where: short stacking energy: -665.860
Base-Backbone interact. energy: -0.073
local terms energy: -714.064128
where:
bonds (distance) C4'-P energy: -135.653
bonds (distance) P-C4' energy: -120.002
flat angles C4'-P-C4' energy: -166.921
flat angles P-C4'-P energy: -103.670
tors. eta vs tors. theta energy: -187.818
Dist. restrs. and SS energy: 8.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2225.629521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.629521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.568994 (E_RNA)
where:
Base-Base interactions energy: -1504.114
where: short stacking energy: -654.282
Base-Backbone interact. energy: -2.425
local terms energy: -720.030156
where:
bonds (distance) C4'-P energy: -125.332
bonds (distance) P-C4' energy: -144.119
flat angles C4'-P-C4' energy: -152.848
flat angles P-C4'-P energy: -97.634
tors. eta vs tors. theta energy: -200.098
Dist. restrs. and SS energy: 0.939 (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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2110.780064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.780064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.053352 (E_RNA)
where:
Base-Base interactions energy: -1455.987
where: short stacking energy: -609.259
Base-Backbone interact. energy: -2.460
local terms energy: -653.606620
where:
bonds (distance) C4'-P energy: -108.825
bonds (distance) P-C4' energy: -123.711
flat angles C4'-P-C4' energy: -157.504
flat angles P-C4'-P energy: -89.958
tors. eta vs tors. theta energy: -173.608
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: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1987.968260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.968260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.257573 (E_RNA)
where:
Base-Base interactions energy: -1339.925
where: short stacking energy: -561.204
Base-Backbone interact. energy: -1.410
local terms energy: -648.922464
where:
bonds (distance) C4'-P energy: -120.108
bonds (distance) P-C4' energy: -144.479
flat angles C4'-P-C4' energy: -153.574
flat angles P-C4'-P energy: -94.568
tors. eta vs tors. theta energy: -136.194
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1925.417864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.417864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.169405 (E_RNA)
where:
Base-Base interactions energy: -1300.621
where: short stacking energy: -557.929
Base-Backbone interact. energy: 1.212
local terms energy: -628.760076
where:
bonds (distance) C4'-P energy: -128.750
bonds (distance) P-C4' energy: -129.149
flat angles C4'-P-C4' energy: -147.123
flat angles P-C4'-P energy: -77.008
tors. eta vs tors. theta energy: -146.730
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: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1857.936670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.936670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.708111 (E_RNA)
where:
Base-Base interactions energy: -1275.757
where: short stacking energy: -541.546
Base-Backbone interact. energy: 0.689
local terms energy: -587.640097
where:
bonds (distance) C4'-P energy: -121.207
bonds (distance) P-C4' energy: -113.548
flat angles C4'-P-C4' energy: -133.124
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -137.537
Dist. restrs. and SS energy: 4.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2740.943448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.943448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.506303 (E_RNA)
where:
Base-Base interactions energy: -1918.603
where: short stacking energy: -829.716
Base-Backbone interact. energy: -3.427
local terms energy: -820.475589
where:
bonds (distance) C4'-P energy: -143.144
bonds (distance) P-C4' energy: -161.146
flat angles C4'-P-C4' energy: -171.429
flat angles P-C4'-P energy: -107.963
tors. eta vs tors. theta energy: -236.794
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: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2675.715366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.715366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.344930 (E_RNA)
where:
Base-Base interactions energy: -1841.520
where: short stacking energy: -804.280
Base-Backbone interact. energy: -0.439
local terms energy: -835.385739
where:
bonds (distance) C4'-P energy: -172.540
bonds (distance) P-C4' energy: -148.995
flat angles C4'-P-C4' energy: -175.600
flat angles P-C4'-P energy: -121.501
tors. eta vs tors. theta energy: -216.751
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: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2527.859694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.859694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.580010 (E_RNA)
where:
Base-Base interactions energy: -1717.395
where: short stacking energy: -788.089
Base-Backbone interact. energy: -1.489
local terms energy: -810.696935
where:
bonds (distance) C4'-P energy: -147.677
bonds (distance) P-C4' energy: -145.596
flat angles C4'-P-C4' energy: -173.888
flat angles P-C4'-P energy: -112.191
tors. eta vs tors. theta energy: -231.344
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2352.511676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.511676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.629230 (E_RNA)
where:
Base-Base interactions energy: -1568.845
where: short stacking energy: -682.598
Base-Backbone interact. energy: -2.437
local terms energy: -782.347208
where:
bonds (distance) C4'-P energy: -153.000
bonds (distance) P-C4' energy: -163.076
flat angles C4'-P-C4' energy: -164.676
flat angles P-C4'-P energy: -106.562
tors. eta vs tors. theta energy: -195.034
Dist. restrs. and SS energy: 1.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2217.087665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.087665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.431665 (E_RNA)
where:
Base-Base interactions energy: -1488.109
where: short stacking energy: -642.146
Base-Backbone interact. energy: 5.998
local terms energy: -742.320837
where:
bonds (distance) C4'-P energy: -131.428
bonds (distance) P-C4' energy: -139.067
flat angles C4'-P-C4' energy: -184.811
flat angles P-C4'-P energy: -98.650
tors. eta vs tors. theta energy: -188.365
Dist. restrs. and SS energy: 7.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2209.828353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.828353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.857829 (E_RNA)
where:
Base-Base interactions energy: -1502.154
where: short stacking energy: -642.788
Base-Backbone interact. energy: 0.292
local terms energy: -709.995665
where:
bonds (distance) C4'-P energy: -119.943
bonds (distance) P-C4' energy: -159.007
flat angles C4'-P-C4' energy: -155.966
flat angles P-C4'-P energy: -102.313
tors. eta vs tors. theta energy: -172.767
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2127.289900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.289900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.512172 (E_RNA)
where:
Base-Base interactions energy: -1456.173
where: short stacking energy: -636.090
Base-Backbone interact. energy: 2.246
local terms energy: -676.585439
where:
bonds (distance) C4'-P energy: -127.693
bonds (distance) P-C4' energy: -142.454
flat angles C4'-P-C4' energy: -135.469
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -179.234
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: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1992.618664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.618664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.418879 (E_RNA)
where:
Base-Base interactions energy: -1373.694
where: short stacking energy: -539.396
Base-Backbone interact. energy: -2.059
local terms energy: -620.665078
where:
bonds (distance) C4'-P energy: -134.272
bonds (distance) P-C4' energy: -113.201
flat angles C4'-P-C4' energy: -141.962
flat angles P-C4'-P energy: -99.695
tors. eta vs tors. theta energy: -131.535
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: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1965.649738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.649738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.351384 (E_RNA)
where:
Base-Base interactions energy: -1327.635
where: short stacking energy: -552.915
Base-Backbone interact. energy: -1.709
local terms energy: -640.006554
where:
bonds (distance) C4'-P energy: -132.519
bonds (distance) P-C4' energy: -125.531
flat angles C4'-P-C4' energy: -141.451
flat angles P-C4'-P energy: -93.407
tors. eta vs tors. theta energy: -147.098
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: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1874.008132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.008132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.411941 (E_RNA)
where:
Base-Base interactions energy: -1276.669
where: short stacking energy: -532.516
Base-Backbone interact. energy: 2.775
local terms energy: -602.518005
where:
bonds (distance) C4'-P energy: -125.100
bonds (distance) P-C4' energy: -124.938
flat angles C4'-P-C4' energy: -132.263
flat angles P-C4'-P energy: -85.565
tors. eta vs tors. theta energy: -134.651
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: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2735.546239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.546239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.347659 (E_RNA)
where:
Base-Base interactions energy: -1867.569
where: short stacking energy: -825.999
Base-Backbone interact. energy: -0.933
local terms energy: -868.845507
where:
bonds (distance) C4'-P energy: -159.892
bonds (distance) P-C4' energy: -183.718
flat angles C4'-P-C4' energy: -182.169
flat angles P-C4'-P energy: -111.960
tors. eta vs tors. theta energy: -231.106
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: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2683.980333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.980333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.505083 (E_RNA)
where:
Base-Base interactions energy: -1837.537
where: short stacking energy: -763.868
Base-Backbone interact. energy: 2.454
local terms energy: -850.422132
where:
bonds (distance) C4'-P energy: -164.211
bonds (distance) P-C4' energy: -158.523
flat angles C4'-P-C4' energy: -174.266
flat angles P-C4'-P energy: -128.683
tors. eta vs tors. theta energy: -224.741
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2535.608571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.608571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.906050 (E_RNA)
where:
Base-Base interactions energy: -1721.086
where: short stacking energy: -793.071
Base-Backbone interact. energy: -4.271
local terms energy: -812.549151
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -166.931
flat angles C4'-P-C4' energy: -159.725
flat angles P-C4'-P energy: -118.168
tors. eta vs tors. theta energy: -234.077
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2356.444889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.444889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.978630 (E_RNA)
where:
Base-Base interactions energy: -1564.606
where: short stacking energy: -691.612
Base-Backbone interact. energy: -2.979
local terms energy: -794.393582
where:
bonds (distance) C4'-P energy: -161.442
bonds (distance) P-C4' energy: -156.477
flat angles C4'-P-C4' energy: -183.167
flat angles P-C4'-P energy: -101.539
tors. eta vs tors. theta energy: -191.767
Dist. restrs. and SS energy: 5.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2245.291452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.291452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.161400 (E_RNA)
where:
Base-Base interactions energy: -1506.665
where: short stacking energy: -654.285
Base-Backbone interact. energy: -1.059
local terms energy: -745.436963
where:
bonds (distance) C4'-P energy: -157.433
bonds (distance) P-C4' energy: -143.305
flat angles C4'-P-C4' energy: -159.550
flat angles P-C4'-P energy: -110.233
tors. eta vs tors. theta energy: -174.917
Dist. restrs. and SS energy: 7.870 (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: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2223.044023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.044023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.266621 (E_RNA)
where:
Base-Base interactions energy: -1514.426
where: short stacking energy: -603.721
Base-Backbone interact. energy: -4.436
local terms energy: -706.404514
where:
bonds (distance) C4'-P energy: -154.647
bonds (distance) P-C4' energy: -138.350
flat angles C4'-P-C4' energy: -157.139
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -172.839
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2161.559895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.559895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.909989 (E_RNA)
where:
Base-Base interactions energy: -1441.878
where: short stacking energy: -604.830
Base-Backbone interact. energy: -1.610
local terms energy: -720.422567
where:
bonds (distance) C4'-P energy: -144.510
bonds (distance) P-C4' energy: -148.544
flat angles C4'-P-C4' energy: -149.969
flat angles P-C4'-P energy: -112.067
tors. eta vs tors. theta energy: -165.332
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: 49
Temperature: 1.250000
Total energy: -1996.736693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.736693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.978175 (E_RNA)
where:
Base-Base interactions energy: -1356.882
where: short stacking energy: -551.970
Base-Backbone interact. energy: 4.093
local terms energy: -646.188574
where:
bonds (distance) C4'-P energy: -130.485
bonds (distance) P-C4' energy: -145.865
flat angles C4'-P-C4' energy: -147.126
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -137.049
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: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1936.244052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.244052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.743055 (E_RNA)
where:
Base-Base interactions energy: -1315.681
where: short stacking energy: -561.110
Base-Backbone interact. energy: 1.793
local terms energy: -627.855257
where:
bonds (distance) C4'-P energy: -135.998
bonds (distance) P-C4' energy: -127.939
flat angles C4'-P-C4' energy: -142.714
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -143.362
Dist. restrs. and SS energy: 5.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -1963.219298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.219298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.691505 (E_RNA)
where:
Base-Base interactions energy: -1307.318
where: short stacking energy: -539.026
Base-Backbone interact. energy: -0.059
local terms energy: -658.315222
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -132.133
flat angles C4'-P-C4' energy: -137.861
flat angles P-C4'-P energy: -92.517
tors. eta vs tors. theta energy: -160.681
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: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2741.952638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.952638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.362370 (E_RNA)
where:
Base-Base interactions energy: -1860.182
where: short stacking energy: -796.523
Base-Backbone interact. energy: -4.407
local terms energy: -878.773400
where:
bonds (distance) C4'-P energy: -157.616
bonds (distance) P-C4' energy: -178.123
flat angles C4'-P-C4' energy: -181.889
flat angles P-C4'-P energy: -125.069
tors. eta vs tors. theta energy: -236.076
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: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2665.134702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.134702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.919998 (E_RNA)
where:
Base-Base interactions energy: -1803.739
where: short stacking energy: -791.360
Base-Backbone interact. energy: -6.612
local terms energy: -856.568779
where:
bonds (distance) C4'-P energy: -156.914
bonds (distance) P-C4' energy: -172.082
flat angles C4'-P-C4' energy: -177.359
flat angles P-C4'-P energy: -125.037
tors. eta vs tors. theta energy: -225.177
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2453.297464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.297464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.081441 (E_RNA)
where:
Base-Base interactions energy: -1616.295
where: short stacking energy: -736.292
Base-Backbone interact. energy: 4.841
local terms energy: -844.626974
where:
bonds (distance) C4'-P energy: -172.742
bonds (distance) P-C4' energy: -158.967
flat angles C4'-P-C4' energy: -168.679
flat angles P-C4'-P energy: -119.280
tors. eta vs tors. theta energy: -224.959
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2314.219474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.219474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.617012 (E_RNA)
where:
Base-Base interactions energy: -1556.365
where: short stacking energy: -700.913
Base-Backbone interact. energy: -3.672
local terms energy: -759.580630
where:
bonds (distance) C4'-P energy: -140.910
bonds (distance) P-C4' energy: -144.982
flat angles C4'-P-C4' energy: -181.531
flat angles P-C4'-P energy: -98.583
tors. eta vs tors. theta energy: -193.575
Dist. restrs. and SS energy: 5.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2245.140092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.140092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.389986 (E_RNA)
where:
Base-Base interactions energy: -1518.378
where: short stacking energy: -669.615
Base-Backbone interact. energy: -0.360
local terms energy: -734.652047
where:
bonds (distance) C4'-P energy: -136.283
bonds (distance) P-C4' energy: -147.616
flat angles C4'-P-C4' energy: -158.584
flat angles P-C4'-P energy: -107.107
tors. eta vs tors. theta energy: -185.062
Dist. restrs. and SS energy: 8.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2241.056905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.056905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.442140 (E_RNA)
where:
Base-Base interactions energy: -1508.791
where: short stacking energy: -662.525
Base-Backbone interact. energy: 0.208
local terms energy: -733.859535
where:
bonds (distance) C4'-P energy: -138.612
bonds (distance) P-C4' energy: -138.665
flat angles C4'-P-C4' energy: -159.515
flat angles P-C4'-P energy: -104.451
tors. eta vs tors. theta energy: -192.618
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2146.733098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.733098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.629355 (E_RNA)
where:
Base-Base interactions energy: -1430.781
where: short stacking energy: -606.419
Base-Backbone interact. energy: 0.661
local terms energy: -720.509446
where:
bonds (distance) C4'-P energy: -128.639
bonds (distance) P-C4' energy: -145.230
flat angles C4'-P-C4' energy: -159.999
flat angles P-C4'-P energy: -118.196
tors. eta vs tors. theta energy: -168.445
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1988.705225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.705225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.077061 (E_RNA)
where:
Base-Base interactions energy: -1343.283
where: short stacking energy: -574.214
Base-Backbone interact. energy: 1.627
local terms energy: -649.421202
where:
bonds (distance) C4'-P energy: -125.003
bonds (distance) P-C4' energy: -134.516
flat angles C4'-P-C4' energy: -150.492
flat angles P-C4'-P energy: -91.261
tors. eta vs tors. theta energy: -148.149
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: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1915.989392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.989392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.884721 (E_RNA)
where:
Base-Base interactions energy: -1299.883
where: short stacking energy: -540.150
Base-Backbone interact. energy: 0.470
local terms energy: -625.472308
where:
bonds (distance) C4'-P energy: -106.854
bonds (distance) P-C4' energy: -145.968
flat angles C4'-P-C4' energy: -158.894
flat angles P-C4'-P energy: -75.168
tors. eta vs tors. theta energy: -138.587
Dist. restrs. and SS energy: 8.895 (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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1859.171390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.171390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.582383 (E_RNA)
where:
Base-Base interactions energy: -1271.322
where: short stacking energy: -521.962
Base-Backbone interact. energy: -0.567
local terms energy: -589.692726
where:
bonds (distance) C4'-P energy: -127.028
bonds (distance) P-C4' energy: -130.726
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -83.607
tors. eta vs tors. theta energy: -119.947
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2742.032077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.032077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.844602 (E_RNA)
where:
Base-Base interactions energy: -1876.463
where: short stacking energy: -808.427
Base-Backbone interact. energy: -2.653
local terms energy: -863.728185
where:
bonds (distance) C4'-P energy: -165.203
bonds (distance) P-C4' energy: -162.183
flat angles C4'-P-C4' energy: -174.814
flat angles P-C4'-P energy: -123.146
tors. eta vs tors. theta energy: -238.383
Dist. restrs. and SS energy: 0.813 (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: 51
Temperature: 0.950000
Total energy: -2680.740661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.740661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.793946 (E_RNA)
where:
Base-Base interactions energy: -1846.669
where: short stacking energy: -783.774
Base-Backbone interact. energy: -2.593
local terms energy: -832.532385
where:
bonds (distance) C4'-P energy: -154.694
bonds (distance) P-C4' energy: -159.201
flat angles C4'-P-C4' energy: -172.017
flat angles P-C4'-P energy: -111.664
tors. eta vs tors. theta energy: -234.957
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2468.915671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.915671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.149445 (E_RNA)
where:
Base-Base interactions energy: -1644.134
where: short stacking energy: -745.901
Base-Backbone interact. energy: 0.998
local terms energy: -828.012769
where:
bonds (distance) C4'-P energy: -154.320
bonds (distance) P-C4' energy: -153.407
flat angles C4'-P-C4' energy: -178.415
flat angles P-C4'-P energy: -131.096
tors. eta vs tors. theta energy: -210.775
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: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2384.098244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.098244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.246539 (E_RNA)
where:
Base-Base interactions energy: -1593.343
where: short stacking energy: -723.059
Base-Backbone interact. energy: -2.273
local terms energy: -794.630921
where:
bonds (distance) C4'-P energy: -150.381
bonds (distance) P-C4' energy: -158.839
flat angles C4'-P-C4' energy: -158.265
flat angles P-C4'-P energy: -125.599
tors. eta vs tors. theta energy: -201.546
Dist. restrs. and SS energy: 6.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2256.618499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.618499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.869217 (E_RNA)
where:
Base-Base interactions energy: -1505.928
where: short stacking energy: -668.557
Base-Backbone interact. energy: -2.546
local terms energy: -750.395367
where:
bonds (distance) C4'-P energy: -142.269
bonds (distance) P-C4' energy: -144.146
flat angles C4'-P-C4' energy: -159.923
flat angles P-C4'-P energy: -115.441
tors. eta vs tors. theta energy: -188.615
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: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2283.261014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.261014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.643660 (E_RNA)
where:
Base-Base interactions energy: -1542.274
where: short stacking energy: -655.832
Base-Backbone interact. energy: -2.693
local terms energy: -739.677050
where:
bonds (distance) C4'-P energy: -155.780
bonds (distance) P-C4' energy: -153.556
flat angles C4'-P-C4' energy: -138.955
flat angles P-C4'-P energy: -105.182
tors. eta vs tors. theta energy: -186.203
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2073.655887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.655887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.215493 (E_RNA)
where:
Base-Base interactions energy: -1398.867
where: short stacking energy: -595.580
Base-Backbone interact. energy: 4.883
local terms energy: -682.231508
where:
bonds (distance) C4'-P energy: -123.187
bonds (distance) P-C4' energy: -150.582
flat angles C4'-P-C4' energy: -153.726
flat angles P-C4'-P energy: -90.933
tors. eta vs tors. theta energy: -163.804
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: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1986.152163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.152163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.961504 (E_RNA)
where:
Base-Base interactions energy: -1345.620
where: short stacking energy: -559.747
Base-Backbone interact. energy: 10.904
local terms energy: -653.246320
where:
bonds (distance) C4'-P energy: -139.529
bonds (distance) P-C4' energy: -148.063
flat angles C4'-P-C4' energy: -121.724
flat angles P-C4'-P energy: -100.459
tors. eta vs tors. theta energy: -143.471
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1916.973107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.973107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.629158 (E_RNA)
where:
Base-Base interactions energy: -1294.145
where: short stacking energy: -551.996
Base-Backbone interact. energy: -2.454
local terms energy: -624.029465
where:
bonds (distance) C4'-P energy: -136.449
bonds (distance) P-C4' energy: -126.978
flat angles C4'-P-C4' energy: -138.581
flat angles P-C4'-P energy: -87.404
tors. eta vs tors. theta energy: -134.617
Dist. restrs. and SS energy: 3.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1891.435306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.435306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.771433 (E_RNA)
where:
Base-Base interactions energy: -1277.918
where: short stacking energy: -547.723
Base-Backbone interact. energy: 3.028
local terms energy: -619.881569
where:
bonds (distance) C4'-P energy: -129.992
bonds (distance) P-C4' energy: -118.392
flat angles C4'-P-C4' energy: -138.371
flat angles P-C4'-P energy: -91.169
tors. eta vs tors. theta energy: -141.958
Dist. restrs. and SS energy: 3.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2714.670170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.670170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.778645 (E_RNA)
where:
Base-Base interactions energy: -1864.565
where: short stacking energy: -801.227
Base-Backbone interact. energy: -3.078
local terms energy: -848.135716
where:
bonds (distance) C4'-P energy: -160.364
bonds (distance) P-C4' energy: -156.403
flat angles C4'-P-C4' energy: -187.841
flat angles P-C4'-P energy: -110.295
tors. eta vs tors. theta energy: -233.232
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2652.282182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.282182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.140609 (E_RNA)
where:
Base-Base interactions energy: -1815.154
where: short stacking energy: -764.037
Base-Backbone interact. energy: -1.923
local terms energy: -837.063824
where:
bonds (distance) C4'-P energy: -149.154
bonds (distance) P-C4' energy: -164.163
flat angles C4'-P-C4' energy: -180.341
flat angles P-C4'-P energy: -120.601
tors. eta vs tors. theta energy: -222.805
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: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2451.950465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.950465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.919398 (E_RNA)
where:
Base-Base interactions energy: -1635.354
where: short stacking energy: -714.165
Base-Backbone interact. energy: -1.057
local terms energy: -818.508160
where:
bonds (distance) C4'-P energy: -167.659
bonds (distance) P-C4' energy: -142.846
flat angles C4'-P-C4' energy: -182.199
flat angles P-C4'-P energy: -113.555
tors. eta vs tors. theta energy: -212.249
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: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2331.213501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.213501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.165269 (E_RNA)
where:
Base-Base interactions energy: -1570.133
where: short stacking energy: -686.124
Base-Backbone interact. energy: -2.947
local terms energy: -763.085738
where:
bonds (distance) C4'-P energy: -148.583
bonds (distance) P-C4' energy: -147.197
flat angles C4'-P-C4' energy: -162.328
flat angles P-C4'-P energy: -112.217
tors. eta vs tors. theta energy: -192.761
Dist. restrs. and SS energy: 4.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2278.360700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.360700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.882932 (E_RNA)
where:
Base-Base interactions energy: -1553.203
where: short stacking energy: -654.076
Base-Backbone interact. energy: -5.432
local terms energy: -722.248462
where:
bonds (distance) C4'-P energy: -143.514
bonds (distance) P-C4' energy: -146.507
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -105.226
tors. eta vs tors. theta energy: -168.074
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: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2186.925531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.925531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.254165 (E_RNA)
where:
Base-Base interactions energy: -1446.841
where: short stacking energy: -633.801
Base-Backbone interact. energy: 4.881
local terms energy: -747.293477
where:
bonds (distance) C4'-P energy: -135.259
bonds (distance) P-C4' energy: -159.583
flat angles C4'-P-C4' energy: -170.433
flat angles P-C4'-P energy: -102.712
tors. eta vs tors. theta energy: -179.306
Dist. restrs. and SS energy: 2.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2063.798461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.798461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.540407 (E_RNA)
where:
Base-Base interactions energy: -1380.314
where: short stacking energy: -591.236
Base-Backbone interact. energy: 3.706
local terms energy: -689.932404
where:
bonds (distance) C4'-P energy: -143.916
bonds (distance) P-C4' energy: -134.547
flat angles C4'-P-C4' energy: -160.967
flat angles P-C4'-P energy: -103.862
tors. eta vs tors. theta energy: -146.641
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: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2000.887897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.887897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.232164 (E_RNA)
where:
Base-Base interactions energy: -1376.715
where: short stacking energy: -593.601
Base-Backbone interact. energy: 4.154
local terms energy: -629.671051
where:
bonds (distance) C4'-P energy: -132.231
bonds (distance) P-C4' energy: -107.053
flat angles C4'-P-C4' energy: -132.654
flat angles P-C4'-P energy: -117.013
tors. eta vs tors. theta energy: -140.721
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1927.007081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.007081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.418682 (E_RNA)
where:
Base-Base interactions energy: -1290.539
where: short stacking energy: -541.014
Base-Backbone interact. energy: -1.318
local terms energy: -638.562378
where:
bonds (distance) C4'-P energy: -154.141
bonds (distance) P-C4' energy: -118.917
flat angles C4'-P-C4' energy: -140.943
flat angles P-C4'-P energy: -90.333
tors. eta vs tors. theta energy: -134.229
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1863.292568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.292568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.839444 (E_RNA)
where:
Base-Base interactions energy: -1271.266
where: short stacking energy: -510.146
Base-Backbone interact. energy: -0.691
local terms energy: -593.882254
where:
bonds (distance) C4'-P energy: -121.768
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -88.967
tors. eta vs tors. theta energy: -131.192
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2728.391743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.391743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.419191 (E_RNA)
where:
Base-Base interactions energy: -1855.152
where: short stacking energy: -803.979
Base-Backbone interact. energy: 0.528
local terms energy: -876.794863
where:
bonds (distance) C4'-P energy: -150.971
bonds (distance) P-C4' energy: -168.080
flat angles C4'-P-C4' energy: -185.363
flat angles P-C4'-P energy: -128.185
tors. eta vs tors. theta energy: -244.195
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2644.775491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.775491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.298108 (E_RNA)
where:
Base-Base interactions energy: -1806.771
where: short stacking energy: -762.193
Base-Backbone interact. energy: 0.334
local terms energy: -839.860413
where:
bonds (distance) C4'-P energy: -171.761
bonds (distance) P-C4' energy: -146.134
flat angles C4'-P-C4' energy: -179.773
flat angles P-C4'-P energy: -112.638
tors. eta vs tors. theta energy: -229.555
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: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2455.807872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.807872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.911974 (E_RNA)
where:
Base-Base interactions energy: -1611.496
where: short stacking energy: -726.096
Base-Backbone interact. energy: -2.805
local terms energy: -842.610873
where:
bonds (distance) C4'-P energy: -165.038
bonds (distance) P-C4' energy: -153.074
flat angles C4'-P-C4' energy: -187.026
flat angles P-C4'-P energy: -131.070
tors. eta vs tors. theta energy: -206.403
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2367.821089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.821089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.307439 (E_RNA)
where:
Base-Base interactions energy: -1596.219
where: short stacking energy: -723.992
Base-Backbone interact. energy: -4.735
local terms energy: -775.353919
where:
bonds (distance) C4'-P energy: -148.041
bonds (distance) P-C4' energy: -141.469
flat angles C4'-P-C4' energy: -173.919
flat angles P-C4'-P energy: -102.553
tors. eta vs tors. theta energy: -209.372
Dist. restrs. and SS energy: 8.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2279.695284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.695284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.274669 (E_RNA)
where:
Base-Base interactions energy: -1587.250
where: short stacking energy: -680.832
Base-Backbone interact. energy: 2.278
local terms energy: -697.303004
where:
bonds (distance) C4'-P energy: -113.604
bonds (distance) P-C4' energy: -142.213
flat angles C4'-P-C4' energy: -148.989
flat angles P-C4'-P energy: -100.165
tors. eta vs tors. theta energy: -192.332
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: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2162.888833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.888833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.477442 (E_RNA)
where:
Base-Base interactions energy: -1470.756
where: short stacking energy: -606.295
Base-Backbone interact. energy: -1.542
local terms energy: -694.178700
where:
bonds (distance) C4'-P energy: -138.666
bonds (distance) P-C4' energy: -134.290
flat angles C4'-P-C4' energy: -152.446
flat angles P-C4'-P energy: -108.184
tors. eta vs tors. theta energy: -160.592
Dist. restrs. and SS energy: 3.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2092.095471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.095471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.287858 (E_RNA)
where:
Base-Base interactions energy: -1420.758
where: short stacking energy: -632.295
Base-Backbone interact. energy: -2.350
local terms energy: -672.180465
where:
bonds (distance) C4'-P energy: -150.542
bonds (distance) P-C4' energy: -103.840
flat angles C4'-P-C4' energy: -149.777
flat angles P-C4'-P energy: -100.053
tors. eta vs tors. theta energy: -167.968
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: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2041.345292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.345292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.269085 (E_RNA)
where:
Base-Base interactions energy: -1381.214
where: short stacking energy: -600.654
Base-Backbone interact. energy: 0.901
local terms energy: -664.956813
where:
bonds (distance) C4'-P energy: -119.222
bonds (distance) P-C4' energy: -146.795
flat angles C4'-P-C4' energy: -151.353
flat angles P-C4'-P energy: -93.920
tors. eta vs tors. theta energy: -153.666
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: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1964.180159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.180159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.966629 (E_RNA)
where:
Base-Base interactions energy: -1311.008
where: short stacking energy: -549.009
Base-Backbone interact. energy: 1.116
local terms energy: -657.074546
where:
bonds (distance) C4'-P energy: -124.265
bonds (distance) P-C4' energy: -141.907
flat angles C4'-P-C4' energy: -147.734
flat angles P-C4'-P energy: -99.624
tors. eta vs tors. theta energy: -143.544
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: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1893.457565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.457565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.413557 (E_RNA)
where:
Base-Base interactions energy: -1302.049
where: short stacking energy: -555.790
Base-Backbone interact. energy: -1.905
local terms energy: -591.459692
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -115.406
flat angles C4'-P-C4' energy: -130.613
flat angles P-C4'-P energy: -98.813
tors. eta vs tors. theta energy: -132.263
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: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2759.428036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.428036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.163845 (E_RNA)
where:
Base-Base interactions energy: -1877.614
where: short stacking energy: -803.281
Base-Backbone interact. energy: -3.852
local terms energy: -878.698307
where:
bonds (distance) C4'-P energy: -158.028
bonds (distance) P-C4' energy: -165.133
flat angles C4'-P-C4' energy: -193.196
flat angles P-C4'-P energy: -127.414
tors. eta vs tors. theta energy: -234.928
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2668.652277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.652277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.612608 (E_RNA)
where:
Base-Base interactions energy: -1824.326
where: short stacking energy: -779.205
Base-Backbone interact. energy: -4.552
local terms energy: -841.734875
where:
bonds (distance) C4'-P energy: -151.911
bonds (distance) P-C4' energy: -159.728
flat angles C4'-P-C4' energy: -174.815
flat angles P-C4'-P energy: -123.319
tors. eta vs tors. theta energy: -231.962
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2486.791952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.791952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.371214 (E_RNA)
where:
Base-Base interactions energy: -1686.384
where: short stacking energy: -741.469
Base-Backbone interact. energy: -2.958
local terms energy: -799.029127
where:
bonds (distance) C4'-P energy: -151.899
bonds (distance) P-C4' energy: -155.119
flat angles C4'-P-C4' energy: -172.093
flat angles P-C4'-P energy: -109.667
tors. eta vs tors. theta energy: -210.251
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: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2358.719753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.719753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.006710 (E_RNA)
where:
Base-Base interactions energy: -1592.209
where: short stacking energy: -715.291
Base-Backbone interact. energy: 0.033
local terms energy: -777.830024
where:
bonds (distance) C4'-P energy: -146.814
bonds (distance) P-C4' energy: -152.169
flat angles C4'-P-C4' energy: -169.454
flat angles P-C4'-P energy: -106.165
tors. eta vs tors. theta energy: -203.228
Dist. restrs. and SS energy: 11.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2309.148300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.148300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.106293 (E_RNA)
where:
Base-Base interactions energy: -1573.839
where: short stacking energy: -682.536
Base-Backbone interact. energy: 0.940
local terms energy: -738.208034
where:
bonds (distance) C4'-P energy: -136.604
bonds (distance) P-C4' energy: -146.436
flat angles C4'-P-C4' energy: -160.752
flat angles P-C4'-P energy: -109.521
tors. eta vs tors. theta energy: -184.895
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2215.818591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.818591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.110878 (E_RNA)
where:
Base-Base interactions energy: -1505.632
where: short stacking energy: -644.480
Base-Backbone interact. energy: -0.389
local terms energy: -715.090095
where:
bonds (distance) C4'-P energy: -145.802
bonds (distance) P-C4' energy: -138.836
flat angles C4'-P-C4' energy: -151.993
flat angles P-C4'-P energy: -98.057
tors. eta vs tors. theta energy: -180.402
Dist. restrs. and SS energy: 5.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2092.040927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.040927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.408609 (E_RNA)
where:
Base-Base interactions energy: -1428.810
where: short stacking energy: -609.172
Base-Backbone interact. energy: 0.989
local terms energy: -665.587384
where:
bonds (distance) C4'-P energy: -137.580
bonds (distance) P-C4' energy: -122.573
flat angles C4'-P-C4' energy: -143.831
flat angles P-C4'-P energy: -95.310
tors. eta vs tors. theta energy: -166.293
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: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2020.638503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.638503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.480900 (E_RNA)
where:
Base-Base interactions energy: -1394.561
where: short stacking energy: -578.696
Base-Backbone interact. energy: 3.548
local terms energy: -632.467699
where:
bonds (distance) C4'-P energy: -149.829
bonds (distance) P-C4' energy: -119.892
flat angles C4'-P-C4' energy: -132.522
flat angles P-C4'-P energy: -82.908
tors. eta vs tors. theta energy: -147.317
Dist. restrs. and SS energy: 2.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1968.423245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.423245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.744649 (E_RNA)
where:
Base-Base interactions energy: -1351.588
where: short stacking energy: -554.762
Base-Backbone interact. energy: 0.085
local terms energy: -621.241189
where:
bonds (distance) C4'-P energy: -109.914
bonds (distance) P-C4' energy: -142.466
flat angles C4'-P-C4' energy: -148.778
flat angles P-C4'-P energy: -74.648
tors. eta vs tors. theta energy: -145.435
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1872.783390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.783390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.883632 (E_RNA)
where:
Base-Base interactions energy: -1269.928
where: short stacking energy: -530.135
Base-Backbone interact. energy: -4.123
local terms energy: -601.833353
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -126.221
flat angles C4'-P-C4' energy: -142.128
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -140.227
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: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2759.101182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.101182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.594044 (E_RNA)
where:
Base-Base interactions energy: -1868.665
where: short stacking energy: -820.683
Base-Backbone interact. energy: 1.010
local terms energy: -892.939418
where:
bonds (distance) C4'-P energy: -153.127
bonds (distance) P-C4' energy: -175.915
flat angles C4'-P-C4' energy: -186.287
flat angles P-C4'-P energy: -135.517
tors. eta vs tors. theta energy: -242.093
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2682.907863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.907863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.961033 (E_RNA)
where:
Base-Base interactions energy: -1819.205
where: short stacking energy: -792.241
Base-Backbone interact. energy: -1.548
local terms energy: -864.208365
where:
bonds (distance) C4'-P energy: -163.718
bonds (distance) P-C4' energy: -154.388
flat angles C4'-P-C4' energy: -179.828
flat angles P-C4'-P energy: -127.095
tors. eta vs tors. theta energy: -239.180
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2519.976361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.976361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.414535 (E_RNA)
where:
Base-Base interactions energy: -1724.147
where: short stacking energy: -758.318
Base-Backbone interact. energy: 0.983
local terms energy: -798.251509
where:
bonds (distance) C4'-P energy: -146.709
bonds (distance) P-C4' energy: -133.765
flat angles C4'-P-C4' energy: -177.287
flat angles P-C4'-P energy: -117.493
tors. eta vs tors. theta energy: -222.998
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: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2332.033737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.033737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.802837 (E_RNA)
where:
Base-Base interactions energy: -1555.616
where: short stacking energy: -706.394
Base-Backbone interact. energy: -1.626
local terms energy: -780.561128
where:
bonds (distance) C4'-P energy: -148.148
bonds (distance) P-C4' energy: -165.473
flat angles C4'-P-C4' energy: -161.639
flat angles P-C4'-P energy: -97.641
tors. eta vs tors. theta energy: -207.660
Dist. restrs. and SS energy: 5.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2351.661184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.661184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.599372 (E_RNA)
where:
Base-Base interactions energy: -1585.148
where: short stacking energy: -689.842
Base-Backbone interact. energy: 0.003
local terms energy: -768.454802
where:
bonds (distance) C4'-P energy: -146.190
bonds (distance) P-C4' energy: -129.352
flat angles C4'-P-C4' energy: -180.257
flat angles P-C4'-P energy: -116.113
tors. eta vs tors. theta energy: -196.543
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2180.367906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.367906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.573765 (E_RNA)
where:
Base-Base interactions energy: -1478.882
where: short stacking energy: -650.676
Base-Backbone interact. energy: -4.591
local terms energy: -702.100105
where:
bonds (distance) C4'-P energy: -129.656
bonds (distance) P-C4' energy: -140.316
flat angles C4'-P-C4' energy: -171.494
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -163.734
Dist. restrs. and SS energy: 5.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2123.553301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.553301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.132003 (E_RNA)
where:
Base-Base interactions energy: -1429.464
where: short stacking energy: -619.301
Base-Backbone interact. energy: -1.562
local terms energy: -695.105609
where:
bonds (distance) C4'-P energy: -138.720
bonds (distance) P-C4' energy: -131.727
flat angles C4'-P-C4' energy: -160.456
flat angles P-C4'-P energy: -103.835
tors. eta vs tors. theta energy: -160.366
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: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2085.153243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.153243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.326833 (E_RNA)
where:
Base-Base interactions energy: -1425.765
where: short stacking energy: -617.420
Base-Backbone interact. energy: 8.060
local terms energy: -670.622136
where:
bonds (distance) C4'-P energy: -124.122
bonds (distance) P-C4' energy: -137.696
flat angles C4'-P-C4' energy: -141.459
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -178.330
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: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1936.238218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.238218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.140496 (E_RNA)
where:
Base-Base interactions energy: -1332.943
where: short stacking energy: -573.004
Base-Backbone interact. energy: -4.646
local terms energy: -603.551508
where:
bonds (distance) C4'-P energy: -102.984
bonds (distance) P-C4' energy: -129.876
flat angles C4'-P-C4' energy: -158.819
flat angles P-C4'-P energy: -66.829
tors. eta vs tors. theta energy: -145.045
Dist. restrs. and SS energy: 4.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1880.547264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.547264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.463286 (E_RNA)
where:
Base-Base interactions energy: -1291.060
where: short stacking energy: -561.872
Base-Backbone interact. energy: -3.313
local terms energy: -597.090580
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -126.036
flat angles C4'-P-C4' energy: -149.970
flat angles P-C4'-P energy: -100.312
tors. eta vs tors. theta energy: -141.173
Dist. restrs. and SS energy: 10.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2770.387594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.387594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.376938 (E_RNA)
where:
Base-Base interactions energy: -1910.640
where: short stacking energy: -807.810
Base-Backbone interact. energy: -5.227
local terms energy: -855.509311
where:
bonds (distance) C4'-P energy: -157.400
bonds (distance) P-C4' energy: -158.765
flat angles C4'-P-C4' energy: -188.697
flat angles P-C4'-P energy: -119.290
tors. eta vs tors. theta energy: -231.358
Dist. restrs. and SS energy: 0.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2698.631711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.631711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.205282 (E_RNA)
where:
Base-Base interactions energy: -1847.926
where: short stacking energy: -808.549
Base-Backbone interact. energy: 1.052
local terms energy: -853.331114
where:
bonds (distance) C4'-P energy: -169.351
bonds (distance) P-C4' energy: -157.503
flat angles C4'-P-C4' energy: -188.737
flat angles P-C4'-P energy: -108.617
tors. eta vs tors. theta energy: -229.123
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: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2510.649760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.649760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.926083 (E_RNA)
where:
Base-Base interactions energy: -1725.307
where: short stacking energy: -727.997
Base-Backbone interact. energy: -3.453
local terms energy: -783.165852
where:
bonds (distance) C4'-P energy: -138.469
bonds (distance) P-C4' energy: -144.881
flat angles C4'-P-C4' energy: -184.610
flat angles P-C4'-P energy: -106.622
tors. eta vs tors. theta energy: -208.583
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2307.762336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.762336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.284283 (E_RNA)
where:
Base-Base interactions energy: -1551.005
where: short stacking energy: -689.229
Base-Backbone interact. energy: -1.751
local terms energy: -765.528177
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -161.974
flat angles C4'-P-C4' energy: -171.238
flat angles P-C4'-P energy: -117.370
tors. eta vs tors. theta energy: -190.079
Dist. restrs. and SS energy: 10.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2336.460720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.460720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.257939 (E_RNA)
where:
Base-Base interactions energy: -1582.226
where: short stacking energy: -687.266
Base-Backbone interact. energy: -1.926
local terms energy: -754.106529
where:
bonds (distance) C4'-P energy: -137.488
bonds (distance) P-C4' energy: -150.979
flat angles C4'-P-C4' energy: -172.842
flat angles P-C4'-P energy: -97.678
tors. eta vs tors. theta energy: -195.120
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: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2176.213426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.213426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.744342 (E_RNA)
where:
Base-Base interactions energy: -1456.617
where: short stacking energy: -631.483
Base-Backbone interact. energy: 3.514
local terms energy: -727.641367
where:
bonds (distance) C4'-P energy: -152.761
bonds (distance) P-C4' energy: -150.990
flat angles C4'-P-C4' energy: -159.707
flat angles P-C4'-P energy: -92.451
tors. eta vs tors. theta energy: -171.732
Dist. restrs. and SS energy: 4.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2127.751141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.751141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.668354 (E_RNA)
where:
Base-Base interactions energy: -1422.619
where: short stacking energy: -637.988
Base-Backbone interact. energy: -2.733
local terms energy: -704.316602
where:
bonds (distance) C4'-P energy: -128.815
bonds (distance) P-C4' energy: -132.670
flat angles C4'-P-C4' energy: -161.374
flat angles P-C4'-P energy: -104.512
tors. eta vs tors. theta energy: -176.945
Dist. restrs. and SS energy: 1.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2053.374300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.374300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.689873 (E_RNA)
where:
Base-Base interactions energy: -1433.825
where: short stacking energy: -581.323
Base-Backbone interact. energy: 2.502
local terms energy: -623.366936
where:
bonds (distance) C4'-P energy: -105.347
bonds (distance) P-C4' energy: -138.997
flat angles C4'-P-C4' energy: -139.072
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -158.308
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: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1915.690365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.690365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.656424 (E_RNA)
where:
Base-Base interactions energy: -1290.101
where: short stacking energy: -516.657
Base-Backbone interact. energy: 3.859
local terms energy: -634.414609
where:
bonds (distance) C4'-P energy: -122.536
bonds (distance) P-C4' energy: -147.830
flat angles C4'-P-C4' energy: -147.395
flat angles P-C4'-P energy: -68.682
tors. eta vs tors. theta energy: -147.972
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: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1884.115040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.115040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.211157 (E_RNA)
where:
Base-Base interactions energy: -1317.921
where: short stacking energy: -549.124
Base-Backbone interact. energy: 0.231
local terms energy: -569.521841
where:
bonds (distance) C4'-P energy: -95.724
bonds (distance) P-C4' energy: -124.026
flat angles C4'-P-C4' energy: -137.695
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -135.228
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: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2764.181397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.181397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.966371 (E_RNA)
where:
Base-Base interactions energy: -1897.952
where: short stacking energy: -815.231
Base-Backbone interact. energy: -2.425
local terms energy: -864.589166
where:
bonds (distance) C4'-P energy: -158.008
bonds (distance) P-C4' energy: -152.699
flat angles C4'-P-C4' energy: -185.708
flat angles P-C4'-P energy: -127.731
tors. eta vs tors. theta energy: -240.442
Dist. restrs. and SS energy: 0.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2682.474066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.474066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.688481 (E_RNA)
where:
Base-Base interactions energy: -1837.392
where: short stacking energy: -797.390
Base-Backbone interact. energy: 5.047
local terms energy: -851.343079
where:
bonds (distance) C4'-P energy: -150.545
bonds (distance) P-C4' energy: -170.358
flat angles C4'-P-C4' energy: -181.300
flat angles P-C4'-P energy: -115.979
tors. eta vs tors. theta energy: -233.162
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: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2544.578826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.578826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.179606 (E_RNA)
where:
Base-Base interactions energy: -1730.510
where: short stacking energy: -756.304
Base-Backbone interact. energy: -0.915
local terms energy: -814.754114
where:
bonds (distance) C4'-P energy: -143.252
bonds (distance) P-C4' energy: -154.197
flat angles C4'-P-C4' energy: -176.428
flat angles P-C4'-P energy: -127.717
tors. eta vs tors. theta energy: -213.161
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: 57
Temperature: 1.050000
Total energy: -2444.933684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.933684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.199063 (E_RNA)
where:
Base-Base interactions energy: -1648.799
where: short stacking energy: -729.324
Base-Backbone interact. energy: -2.487
local terms energy: -795.913571
where:
bonds (distance) C4'-P energy: -143.895
bonds (distance) P-C4' energy: -149.756
flat angles C4'-P-C4' energy: -173.422
flat angles P-C4'-P energy: -106.412
tors. eta vs tors. theta energy: -222.429
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2260.828675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.828675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.263528 (E_RNA)
where:
Base-Base interactions energy: -1534.138
where: short stacking energy: -700.388
Base-Backbone interact. energy: 3.395
local terms energy: -735.520299
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -140.826
flat angles C4'-P-C4' energy: -162.879
flat angles P-C4'-P energy: -98.237
tors. eta vs tors. theta energy: -196.679
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: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2195.171715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.171715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.345099 (E_RNA)
where:
Base-Base interactions energy: -1521.483
where: short stacking energy: -651.526
Base-Backbone interact. energy: -4.643
local terms energy: -672.219276
where:
bonds (distance) C4'-P energy: -111.454
bonds (distance) P-C4' energy: -144.002
flat angles C4'-P-C4' energy: -148.262
flat angles P-C4'-P energy: -102.941
tors. eta vs tors. theta energy: -165.561
Dist. restrs. and SS energy: 3.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2122.881230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.881230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.684228 (E_RNA)
where:
Base-Base interactions energy: -1450.820
where: short stacking energy: -610.301
Base-Backbone interact. energy: -3.727
local terms energy: -670.136910
where:
bonds (distance) C4'-P energy: -123.611
bonds (distance) P-C4' energy: -140.176
flat angles C4'-P-C4' energy: -145.365
flat angles P-C4'-P energy: -98.234
tors. eta vs tors. theta energy: -162.752
Dist. restrs. and SS energy: 1.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2102.798495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.798495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.286227 (E_RNA)
where:
Base-Base interactions energy: -1409.969
where: short stacking energy: -619.365
Base-Backbone interact. energy: 2.277
local terms energy: -696.594167
where:
bonds (distance) C4'-P energy: -131.546
bonds (distance) P-C4' energy: -122.811
flat angles C4'-P-C4' energy: -160.811
flat angles P-C4'-P energy: -109.204
tors. eta vs tors. theta energy: -172.223
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1980.429993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.429993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.514383 (E_RNA)
where:
Base-Base interactions energy: -1361.204
where: short stacking energy: -541.713
Base-Backbone interact. energy: 2.697
local terms energy: -624.007862
where:
bonds (distance) C4'-P energy: -112.892
bonds (distance) P-C4' energy: -143.138
flat angles C4'-P-C4' energy: -132.267
flat angles P-C4'-P energy: -79.157
tors. eta vs tors. theta energy: -156.553
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: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1852.214736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.214736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.162045 (E_RNA)
where:
Base-Base interactions energy: -1268.545
where: short stacking energy: -534.548
Base-Backbone interact. energy: 3.276
local terms energy: -589.893384
where:
bonds (distance) C4'-P energy: -120.633
bonds (distance) P-C4' energy: -126.168
flat angles C4'-P-C4' energy: -137.671
flat angles P-C4'-P energy: -73.292
tors. eta vs tors. theta energy: -132.130
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2737.868803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.868803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.267117 (E_RNA)
where:
Base-Base interactions energy: -1860.991
where: short stacking energy: -803.568
Base-Backbone interact. energy: -3.073
local terms energy: -875.202295
where:
bonds (distance) C4'-P energy: -166.579
bonds (distance) P-C4' energy: -176.673
flat angles C4'-P-C4' energy: -182.326
flat angles P-C4'-P energy: -103.672
tors. eta vs tors. theta energy: -245.952
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2678.692446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.692446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.097630 (E_RNA)
where:
Base-Base interactions energy: -1843.614
where: short stacking energy: -792.606
Base-Backbone interact. energy: -2.866
local terms energy: -833.617408
where:
bonds (distance) C4'-P energy: -136.690
bonds (distance) P-C4' energy: -156.635
flat angles C4'-P-C4' energy: -185.609
flat angles P-C4'-P energy: -133.915
tors. eta vs tors. theta energy: -220.768
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: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2507.005083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.005083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.503299 (E_RNA)
where:
Base-Base interactions energy: -1701.554
where: short stacking energy: -721.215
Base-Backbone interact. energy: -2.246
local terms energy: -804.702462
where:
bonds (distance) C4'-P energy: -166.168
bonds (distance) P-C4' energy: -164.361
flat angles C4'-P-C4' energy: -157.924
flat angles P-C4'-P energy: -111.179
tors. eta vs tors. theta energy: -205.071
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2466.047936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.047936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.192542 (E_RNA)
where:
Base-Base interactions energy: -1679.918
where: short stacking energy: -715.759
Base-Backbone interact. energy: -0.845
local terms energy: -787.429846
where:
bonds (distance) C4'-P energy: -147.512
bonds (distance) P-C4' energy: -157.462
flat angles C4'-P-C4' energy: -165.972
flat angles P-C4'-P energy: -107.803
tors. eta vs tors. theta energy: -208.681
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2213.488623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.488623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.889172 (E_RNA)
where:
Base-Base interactions energy: -1488.060
where: short stacking energy: -653.365
Base-Backbone interact. energy: -0.301
local terms energy: -730.528404
where:
bonds (distance) C4'-P energy: -152.425
bonds (distance) P-C4' energy: -143.390
flat angles C4'-P-C4' energy: -156.516
flat angles P-C4'-P energy: -102.360
tors. eta vs tors. theta energy: -175.837
Dist. restrs. and SS energy: 5.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2223.802169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.802169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.247545 (E_RNA)
where:
Base-Base interactions energy: -1490.671
where: short stacking energy: -661.509
Base-Backbone interact. energy: -2.029
local terms energy: -734.548164
where:
bonds (distance) C4'-P energy: -147.950
bonds (distance) P-C4' energy: -151.502
flat angles C4'-P-C4' energy: -163.781
flat angles P-C4'-P energy: -94.567
tors. eta vs tors. theta energy: -176.749
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2127.141609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.141609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.361412 (E_RNA)
where:
Base-Base interactions energy: -1429.783
where: short stacking energy: -638.163
Base-Backbone interact. energy: 0.352
local terms energy: -700.930297
where:
bonds (distance) C4'-P energy: -115.753
bonds (distance) P-C4' energy: -122.936
flat angles C4'-P-C4' energy: -162.248
flat angles P-C4'-P energy: -112.945
tors. eta vs tors. theta energy: -187.049
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: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2012.370034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.370034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.546302 (E_RNA)
where:
Base-Base interactions energy: -1373.412
where: short stacking energy: -570.869
Base-Backbone interact. energy: -2.285
local terms energy: -639.849292
where:
bonds (distance) C4'-P energy: -135.894
bonds (distance) P-C4' energy: -150.321
flat angles C4'-P-C4' energy: -141.241
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -145.532
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: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1930.885420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.885420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.140813 (E_RNA)
where:
Base-Base interactions energy: -1299.228
where: short stacking energy: -533.977
Base-Backbone interact. energy: -1.853
local terms energy: -632.059297
where:
bonds (distance) C4'-P energy: -136.050
bonds (distance) P-C4' energy: -139.208
flat angles C4'-P-C4' energy: -128.203
flat angles P-C4'-P energy: -81.052
tors. eta vs tors. theta energy: -147.547
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1918.447785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.447785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.731018 (E_RNA)
where:
Base-Base interactions energy: -1302.221
where: short stacking energy: -524.987
Base-Backbone interact. energy: -2.094
local terms energy: -616.416805
where:
bonds (distance) C4'-P energy: -115.111
bonds (distance) P-C4' energy: -136.910
flat angles C4'-P-C4' energy: -136.936
flat angles P-C4'-P energy: -94.885
tors. eta vs tors. theta energy: -132.575
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2769.433749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.433749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.794110 (E_RNA)
where:
Base-Base interactions energy: -1886.736
where: short stacking energy: -836.906
Base-Backbone interact. energy: -3.084
local terms energy: -880.974001
where:
bonds (distance) C4'-P energy: -157.309
bonds (distance) P-C4' energy: -168.030
flat angles C4'-P-C4' energy: -183.623
flat angles P-C4'-P energy: -129.298
tors. eta vs tors. theta energy: -242.714
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: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2670.776345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.776345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.260933 (E_RNA)
where:
Base-Base interactions energy: -1813.370
where: short stacking energy: -792.496
Base-Backbone interact. energy: -0.025
local terms energy: -859.866136
where:
bonds (distance) C4'-P energy: -153.726
bonds (distance) P-C4' energy: -167.073
flat angles C4'-P-C4' energy: -187.137
flat angles P-C4'-P energy: -117.724
tors. eta vs tors. theta energy: -234.206
Dist. restrs. and SS energy: 2.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2566.877094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.877094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.103321 (E_RNA)
where:
Base-Base interactions energy: -1751.116
where: short stacking energy: -752.504
Base-Backbone interact. energy: -2.473
local terms energy: -816.514355
where:
bonds (distance) C4'-P energy: -154.572
bonds (distance) P-C4' energy: -157.955
flat angles C4'-P-C4' energy: -167.781
flat angles P-C4'-P energy: -116.966
tors. eta vs tors. theta energy: -219.241
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: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2422.386411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.386411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.894590 (E_RNA)
where:
Base-Base interactions energy: -1632.450
where: short stacking energy: -726.163
Base-Backbone interact. energy: -3.203
local terms energy: -789.241826
where:
bonds (distance) C4'-P energy: -157.115
bonds (distance) P-C4' energy: -150.321
flat angles C4'-P-C4' energy: -156.822
flat angles P-C4'-P energy: -117.099
tors. eta vs tors. theta energy: -207.885
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: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2239.316369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.316369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.613675 (E_RNA)
where:
Base-Base interactions energy: -1513.313
where: short stacking energy: -665.705
Base-Backbone interact. energy: -2.177
local terms energy: -730.123548
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -152.697
flat angles C4'-P-C4' energy: -158.946
flat angles P-C4'-P energy: -103.764
tors. eta vs tors. theta energy: -186.377
Dist. restrs. and SS energy: 6.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2186.188633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.188633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.015764 (E_RNA)
where:
Base-Base interactions energy: -1471.075
where: short stacking energy: -611.375
Base-Backbone interact. energy: -3.213
local terms energy: -713.727495
where:
bonds (distance) C4'-P energy: -132.982
bonds (distance) P-C4' energy: -147.431
flat angles C4'-P-C4' energy: -155.770
flat angles P-C4'-P energy: -95.259
tors. eta vs tors. theta energy: -182.285
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2112.987012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.987012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.943252 (E_RNA)
where:
Base-Base interactions energy: -1438.467
where: short stacking energy: -620.881
Base-Backbone interact. energy: -0.292
local terms energy: -676.184367
where:
bonds (distance) C4'-P energy: -118.604
bonds (distance) P-C4' energy: -144.755
flat angles C4'-P-C4' energy: -149.818
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -159.746
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: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2095.051999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.051999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.389232 (E_RNA)
where:
Base-Base interactions energy: -1397.522
where: short stacking energy: -581.044
Base-Backbone interact. energy: -1.526
local terms energy: -698.340631
where:
bonds (distance) C4'-P energy: -124.140
bonds (distance) P-C4' energy: -141.122
flat angles C4'-P-C4' energy: -153.768
flat angles P-C4'-P energy: -113.007
tors. eta vs tors. theta energy: -166.304
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: 59
Temperature: 1.300000
Total energy: -1992.755279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.755279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.054448 (E_RNA)
where:
Base-Base interactions energy: -1375.838
where: short stacking energy: -595.091
Base-Backbone interact. energy: -0.066
local terms energy: -618.150657
where:
bonds (distance) C4'-P energy: -121.115
bonds (distance) P-C4' energy: -139.452
flat angles C4'-P-C4' energy: -134.560
flat angles P-C4'-P energy: -78.141
tors. eta vs tors. theta energy: -144.883
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: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1899.523976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.523976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.138632 (E_RNA)
where:
Base-Base interactions energy: -1300.088
where: short stacking energy: -549.564
Base-Backbone interact. energy: -0.739
local terms energy: -601.311685
where:
bonds (distance) C4'-P energy: -113.836
bonds (distance) P-C4' energy: -125.700
flat angles C4'-P-C4' energy: -145.331
flat angles P-C4'-P energy: -76.416
tors. eta vs tors. theta energy: -140.029
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2758.812845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.812845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.298240 (E_RNA)
where:
Base-Base interactions energy: -1871.161
where: short stacking energy: -808.548
Base-Backbone interact. energy: -2.889
local terms energy: -886.248171
where:
bonds (distance) C4'-P energy: -164.360
bonds (distance) P-C4' energy: -164.797
flat angles C4'-P-C4' energy: -183.130
flat angles P-C4'-P energy: -135.322
tors. eta vs tors. theta energy: -238.640
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2662.663896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.663896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.388526 (E_RNA)
where:
Base-Base interactions energy: -1831.174
where: short stacking energy: -769.462
Base-Backbone interact. energy: 6.743
local terms energy: -838.957070
where:
bonds (distance) C4'-P energy: -153.719
bonds (distance) P-C4' energy: -162.473
flat angles C4'-P-C4' energy: -186.776
flat angles P-C4'-P energy: -115.592
tors. eta vs tors. theta energy: -220.397
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2566.468645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.468645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.071340 (E_RNA)
where:
Base-Base interactions energy: -1779.494
where: short stacking energy: -747.429
Base-Backbone interact. energy: -1.301
local terms energy: -787.276448
where:
bonds (distance) C4'-P energy: -154.390
bonds (distance) P-C4' energy: -145.662
flat angles C4'-P-C4' energy: -172.582
flat angles P-C4'-P energy: -92.714
tors. eta vs tors. theta energy: -221.928
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: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2443.806898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.806898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.976529 (E_RNA)
where:
Base-Base interactions energy: -1673.087
where: short stacking energy: -716.413
Base-Backbone interact. energy: -4.730
local terms energy: -767.159535
where:
bonds (distance) C4'-P energy: -144.142
bonds (distance) P-C4' energy: -131.258
flat angles C4'-P-C4' energy: -162.827
flat angles P-C4'-P energy: -126.021
tors. eta vs tors. theta energy: -202.911
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2285.544126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.544126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.230338 (E_RNA)
where:
Base-Base interactions energy: -1511.249
where: short stacking energy: -663.569
Base-Backbone interact. energy: -2.421
local terms energy: -776.560000
where:
bonds (distance) C4'-P energy: -159.275
bonds (distance) P-C4' energy: -157.502
flat angles C4'-P-C4' energy: -165.117
flat angles P-C4'-P energy: -107.603
tors. eta vs tors. theta energy: -187.063
Dist. restrs. and SS energy: 4.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2166.185404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.185404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.746600 (E_RNA)
where:
Base-Base interactions energy: -1469.411
where: short stacking energy: -654.372
Base-Backbone interact. energy: -1.315
local terms energy: -698.020022
where:
bonds (distance) C4'-P energy: -136.571
bonds (distance) P-C4' energy: -124.944
flat angles C4'-P-C4' energy: -161.003
flat angles P-C4'-P energy: -104.569
tors. eta vs tors. theta energy: -170.933
Dist. restrs. and SS energy: 2.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2127.850287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.850287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.749391 (E_RNA)
where:
Base-Base interactions energy: -1427.989
where: short stacking energy: -602.061
Base-Backbone interact. energy: 2.444
local terms energy: -704.203803
where:
bonds (distance) C4'-P energy: -138.135
bonds (distance) P-C4' energy: -146.647
flat angles C4'-P-C4' energy: -146.549
flat angles P-C4'-P energy: -110.211
tors. eta vs tors. theta energy: -162.662
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2041.695273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.695273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.477702 (E_RNA)
where:
Base-Base interactions energy: -1392.793
where: short stacking energy: -602.826
Base-Backbone interact. energy: 0.303
local terms energy: -653.988396
where:
bonds (distance) C4'-P energy: -128.849
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -142.087
flat angles P-C4'-P energy: -85.746
tors. eta vs tors. theta energy: -146.842
Dist. restrs. and SS energy: 4.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1958.401714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.401714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.086451 (E_RNA)
where:
Base-Base interactions energy: -1327.687
where: short stacking energy: -556.867
Base-Backbone interact. energy: -2.640
local terms energy: -631.759802
where:
bonds (distance) C4'-P energy: -134.134
bonds (distance) P-C4' energy: -140.703
flat angles C4'-P-C4' energy: -127.377
flat angles P-C4'-P energy: -89.010
tors. eta vs tors. theta energy: -140.535
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: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1867.563386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.563386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.965804 (E_RNA)
where:
Base-Base interactions energy: -1259.828
where: short stacking energy: -513.565
Base-Backbone interact. energy: -0.236
local terms energy: -608.901330
where:
bonds (distance) C4'-P energy: -106.051
bonds (distance) P-C4' energy: -134.866
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -99.330
tors. eta vs tors. theta energy: -136.717
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: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2774.512730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.117519 (E_RNA)
where:
Base-Base interactions energy: -1924.782
where: short stacking energy: -817.605
Base-Backbone interact. energy: -1.946
local terms energy: -850.388679
where:
bonds (distance) C4'-P energy: -154.919
bonds (distance) P-C4' energy: -148.793
flat angles C4'-P-C4' energy: -171.689
flat angles P-C4'-P energy: -130.117
tors. eta vs tors. theta energy: -244.871
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: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2659.055454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.055454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.436715 (E_RNA)
where:
Base-Base interactions energy: -1844.055
where: short stacking energy: -764.743
Base-Backbone interact. energy: 0.218
local terms energy: -817.599953
where:
bonds (distance) C4'-P energy: -153.587
bonds (distance) P-C4' energy: -158.574
flat angles C4'-P-C4' energy: -175.039
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -212.737
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: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2578.414125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.414125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.127617 (E_RNA)
where:
Base-Base interactions energy: -1747.831
where: short stacking energy: -744.512
Base-Backbone interact. energy: -1.186
local terms energy: -831.110843
where:
bonds (distance) C4'-P energy: -142.294
bonds (distance) P-C4' energy: -165.506
flat angles C4'-P-C4' energy: -171.494
flat angles P-C4'-P energy: -126.100
tors. eta vs tors. theta energy: -225.717
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2462.433016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.433016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.444249 (E_RNA)
where:
Base-Base interactions energy: -1675.424
where: short stacking energy: -714.638
Base-Backbone interact. energy: -4.358
local terms energy: -784.662136
where:
bonds (distance) C4'-P energy: -156.058
bonds (distance) P-C4' energy: -143.647
flat angles C4'-P-C4' energy: -169.729
flat angles P-C4'-P energy: -114.428
tors. eta vs tors. theta energy: -200.800
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2297.876463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.876463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.737636 (E_RNA)
where:
Base-Base interactions energy: -1563.500
where: short stacking energy: -690.502
Base-Backbone interact. energy: 4.246
local terms energy: -744.484305
where:
bonds (distance) C4'-P energy: -140.760
bonds (distance) P-C4' energy: -152.180
flat angles C4'-P-C4' energy: -173.177
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -185.112
Dist. restrs. and SS energy: 5.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2214.435181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.435181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.433910 (E_RNA)
where:
Base-Base interactions energy: -1490.590
where: short stacking energy: -628.944
Base-Backbone interact. energy: -0.447
local terms energy: -725.396083
where:
bonds (distance) C4'-P energy: -126.906
bonds (distance) P-C4' energy: -161.403
flat angles C4'-P-C4' energy: -154.623
flat angles P-C4'-P energy: -116.941
tors. eta vs tors. theta energy: -165.523
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2074.314099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.314099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.502861 (E_RNA)
where:
Base-Base interactions energy: -1396.989
where: short stacking energy: -605.924
Base-Backbone interact. energy: 6.253
local terms energy: -685.767075
where:
bonds (distance) C4'-P energy: -138.404
bonds (distance) P-C4' energy: -142.777
flat angles C4'-P-C4' energy: -161.826
flat angles P-C4'-P energy: -97.790
tors. eta vs tors. theta energy: -144.970
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: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2040.722584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.722584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.983264 (E_RNA)
where:
Base-Base interactions energy: -1366.106
where: short stacking energy: -592.390
Base-Backbone interact. energy: 3.162
local terms energy: -680.039464
where:
bonds (distance) C4'-P energy: -126.651
bonds (distance) P-C4' energy: -147.511
flat angles C4'-P-C4' energy: -145.596
flat angles P-C4'-P energy: -89.175
tors. eta vs tors. theta energy: -171.106
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: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1976.908518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.908518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.695224 (E_RNA)
where:
Base-Base interactions energy: -1324.739
where: short stacking energy: -569.117
Base-Backbone interact. energy: 0.338
local terms energy: -655.293316
where:
bonds (distance) C4'-P energy: -136.667
bonds (distance) P-C4' energy: -140.295
flat angles C4'-P-C4' energy: -146.171
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -152.518
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: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1900.290403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.290403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.322699 (E_RNA)
where:
Base-Base interactions energy: -1289.501
where: short stacking energy: -529.170
Base-Backbone interact. energy: -1.397
local terms energy: -613.424577
where:
bonds (distance) C4'-P energy: -138.031
bonds (distance) P-C4' energy: -116.462
flat angles C4'-P-C4' energy: -151.198
flat angles P-C4'-P energy: -76.900
tors. eta vs tors. theta energy: -130.833
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: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2776.054919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.054919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.882328 (E_RNA)
where:
Base-Base interactions energy: -1896.659
where: short stacking energy: -811.146
Base-Backbone interact. energy: -4.463
local terms energy: -875.760346
where:
bonds (distance) C4'-P energy: -161.040
bonds (distance) P-C4' energy: -163.362
flat angles C4'-P-C4' energy: -182.987
flat angles P-C4'-P energy: -127.627
tors. eta vs tors. theta energy: -240.744
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. 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: -2683.475261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.475261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.897947 (E_RNA)
where:
Base-Base interactions energy: -1848.182
where: short stacking energy: -785.828
Base-Backbone interact. energy: -1.251
local terms energy: -835.464479
where:
bonds (distance) C4'-P energy: -157.986
bonds (distance) P-C4' energy: -153.616
flat angles C4'-P-C4' energy: -188.945
flat angles P-C4'-P energy: -111.738
tors. eta vs tors. theta energy: -223.179
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: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2585.171540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.171540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.058997 (E_RNA)
where:
Base-Base interactions energy: -1767.061
where: short stacking energy: -766.062
Base-Backbone interact. energy: -2.545
local terms energy: -817.453665
where:
bonds (distance) C4'-P energy: -129.289
bonds (distance) P-C4' energy: -157.629
flat angles C4'-P-C4' energy: -184.459
flat angles P-C4'-P energy: -113.659
tors. eta vs tors. theta energy: -232.418
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2454.111832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.111832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.462438 (E_RNA)
where:
Base-Base interactions energy: -1685.944
where: short stacking energy: -739.845
Base-Backbone interact. energy: 1.299
local terms energy: -770.817701
where:
bonds (distance) C4'-P energy: -136.403
bonds (distance) P-C4' energy: -147.555
flat angles C4'-P-C4' energy: -174.180
flat angles P-C4'-P energy: -108.892
tors. eta vs tors. theta energy: -203.787
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: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2255.440929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.440929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.631626 (E_RNA)
where:
Base-Base interactions energy: -1557.777
where: short stacking energy: -688.640
Base-Backbone interact. energy: -0.193
local terms energy: -705.661238
where:
bonds (distance) C4'-P energy: -129.455
bonds (distance) P-C4' energy: -127.432
flat angles C4'-P-C4' energy: -161.534
flat angles P-C4'-P energy: -113.031
tors. eta vs tors. theta energy: -174.210
Dist. restrs. and SS energy: 8.191 (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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2186.207294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.207294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.741732 (E_RNA)
where:
Base-Base interactions energy: -1509.766
where: short stacking energy: -654.627
Base-Backbone interact. energy: 0.476
local terms energy: -678.451640
where:
bonds (distance) C4'-P energy: -99.037
bonds (distance) P-C4' energy: -148.433
flat angles C4'-P-C4' energy: -163.004
flat angles P-C4'-P energy: -95.148
tors. eta vs tors. theta energy: -172.829
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: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2111.926224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.926224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.932059 (E_RNA)
where:
Base-Base interactions energy: -1433.499
where: short stacking energy: -635.699
Base-Backbone interact. energy: 1.098
local terms energy: -682.531240
where:
bonds (distance) C4'-P energy: -142.231
bonds (distance) P-C4' energy: -110.276
flat angles C4'-P-C4' energy: -159.645
flat angles P-C4'-P energy: -93.287
tors. eta vs tors. theta energy: -177.091
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: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2023.009009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.009009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.712105 (E_RNA)
where:
Base-Base interactions energy: -1355.605
where: short stacking energy: -597.924
Base-Backbone interact. energy: -1.051
local terms energy: -670.055140
where:
bonds (distance) C4'-P energy: -116.480
bonds (distance) P-C4' energy: -119.305
flat angles C4'-P-C4' energy: -175.092
flat angles P-C4'-P energy: -96.907
tors. eta vs tors. theta energy: -162.271
Dist. restrs. and SS energy: 3.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1937.801012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.801012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.320586 (E_RNA)
where:
Base-Base interactions energy: -1308.595
where: short stacking energy: -546.184
Base-Backbone interact. energy: -0.517
local terms energy: -631.208935
where:
bonds (distance) C4'-P energy: -118.943
bonds (distance) P-C4' energy: -134.815
flat angles C4'-P-C4' energy: -159.496
flat angles P-C4'-P energy: -89.407
tors. eta vs tors. theta energy: -128.547
Dist. restrs. and SS energy: 2.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1860.691468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.691468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.555777 (E_RNA)
where:
Base-Base interactions energy: -1265.957
where: short stacking energy: -513.732
Base-Backbone interact. energy: -2.947
local terms energy: -594.652165
where:
bonds (distance) C4'-P energy: -111.136
bonds (distance) P-C4' energy: -125.386
flat angles C4'-P-C4' energy: -130.469
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -120.064
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: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2798.951887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.951887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.862232 (E_RNA)
where:
Base-Base interactions energy: -1919.034
where: short stacking energy: -842.448
Base-Backbone interact. energy: -3.477
local terms energy: -877.351289
where:
bonds (distance) C4'-P energy: -156.918
bonds (distance) P-C4' energy: -164.639
flat angles C4'-P-C4' energy: -193.390
flat angles P-C4'-P energy: -122.881
tors. eta vs tors. theta energy: -239.523
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2703.910685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.910685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.632787 (E_RNA)
where:
Base-Base interactions energy: -1842.175
where: short stacking energy: -788.668
Base-Backbone interact. energy: 3.264
local terms energy: -865.722274
where:
bonds (distance) C4'-P energy: -140.881
bonds (distance) P-C4' energy: -172.951
flat angles C4'-P-C4' energy: -194.832
flat angles P-C4'-P energy: -132.939
tors. eta vs tors. theta energy: -224.120
Dist. restrs. and SS energy: 0.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2593.006535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.006535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.234460 (E_RNA)
where:
Base-Base interactions energy: -1744.742
where: short stacking energy: -745.908
Base-Backbone interact. energy: -4.634
local terms energy: -845.857664
where:
bonds (distance) C4'-P energy: -150.721
bonds (distance) P-C4' energy: -157.656
flat angles C4'-P-C4' energy: -188.365
flat angles P-C4'-P energy: -120.319
tors. eta vs tors. theta energy: -228.797
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: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2462.589792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.589792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.560501 (E_RNA)
where:
Base-Base interactions energy: -1690.273
where: short stacking energy: -720.224
Base-Backbone interact. energy: -2.470
local terms energy: -771.818095
where:
bonds (distance) C4'-P energy: -154.600
bonds (distance) P-C4' energy: -146.042
flat angles C4'-P-C4' energy: -168.491
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: -206.655
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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2264.882689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.882689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.079228 (E_RNA)
where:
Base-Base interactions energy: -1551.033
where: short stacking energy: -639.487
Base-Backbone interact. energy: 3.089
local terms energy: -724.135463
where:
bonds (distance) C4'-P energy: -138.478
bonds (distance) P-C4' energy: -159.051
flat angles C4'-P-C4' energy: -159.939
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -166.313
Dist. restrs. and SS energy: 7.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2221.116006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.116006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.278187 (E_RNA)
where:
Base-Base interactions energy: -1497.699
where: short stacking energy: -644.186
Base-Backbone interact. energy: -1.434
local terms energy: -724.144696
where:
bonds (distance) C4'-P energy: -130.686
bonds (distance) P-C4' energy: -156.100
flat angles C4'-P-C4' energy: -161.754
flat angles P-C4'-P energy: -94.164
tors. eta vs tors. theta energy: -181.440
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2109.679335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.679335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.646926 (E_RNA)
where:
Base-Base interactions energy: -1414.529
where: short stacking energy: -604.631
Base-Backbone interact. energy: -1.053
local terms energy: -696.064776
where:
bonds (distance) C4'-P energy: -133.860
bonds (distance) P-C4' energy: -146.945
flat angles C4'-P-C4' energy: -156.740
flat angles P-C4'-P energy: -96.004
tors. eta vs tors. theta energy: -162.516
Dist. restrs. and SS energy: 1.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2051.719962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.719962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.062474 (E_RNA)
where:
Base-Base interactions energy: -1393.626
where: short stacking energy: -616.230
Base-Backbone interact. energy: 1.121
local terms energy: -662.557692
where:
bonds (distance) C4'-P energy: -140.609
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -122.926
flat angles P-C4'-P energy: -99.230
tors. eta vs tors. theta energy: -172.215
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: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1957.572604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.572604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.793116 (E_RNA)
where:
Base-Base interactions energy: -1327.816
where: short stacking energy: -565.529
Base-Backbone interact. energy: 3.798
local terms energy: -635.775070
where:
bonds (distance) C4'-P energy: -127.864
bonds (distance) P-C4' energy: -133.815
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -90.456
tors. eta vs tors. theta energy: -148.803
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: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1871.339837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.850355 (E_RNA)
where:
Base-Base interactions energy: -1292.227
where: short stacking energy: -549.537
Base-Backbone interact. energy: 2.575
local terms energy: -584.198486
where:
bonds (distance) C4'-P energy: -110.867
bonds (distance) P-C4' energy: -143.995
flat angles C4'-P-C4' energy: -139.769
flat angles P-C4'-P energy: -60.953
tors. eta vs tors. theta energy: -128.615
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: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2768.125071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.125071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.049440 (E_RNA)
where:
Base-Base interactions energy: -1933.480
where: short stacking energy: -817.476
Base-Backbone interact. energy: -1.675
local terms energy: -833.894709
where:
bonds (distance) C4'-P energy: -160.772
bonds (distance) P-C4' energy: -167.335
flat angles C4'-P-C4' energy: -171.195
flat angles P-C4'-P energy: -110.730
tors. eta vs tors. theta energy: -223.862
Dist. restrs. and SS energy: 0.924 (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: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2666.465759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.465759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.851554 (E_RNA)
where:
Base-Base interactions energy: -1842.186
where: short stacking energy: -790.625
Base-Backbone interact. energy: -6.630
local terms energy: -819.035259
where:
bonds (distance) C4'-P energy: -154.313
bonds (distance) P-C4' energy: -152.403
flat angles C4'-P-C4' energy: -176.910
flat angles P-C4'-P energy: -108.673
tors. eta vs tors. theta energy: -226.736
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: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2573.864605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.864605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.293550 (E_RNA)
where:
Base-Base interactions energy: -1735.358
where: short stacking energy: -757.044
Base-Backbone interact. energy: 2.143
local terms energy: -843.077901
where:
bonds (distance) C4'-P energy: -159.280
bonds (distance) P-C4' energy: -184.443
flat angles C4'-P-C4' energy: -166.937
flat angles P-C4'-P energy: -113.136
tors. eta vs tors. theta energy: -219.282
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2452.322353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.322353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.206093 (E_RNA)
where:
Base-Base interactions energy: -1657.790
where: short stacking energy: -721.759
Base-Backbone interact. energy: 4.948
local terms energy: -802.363899
where:
bonds (distance) C4'-P energy: -134.684
bonds (distance) P-C4' energy: -158.662
flat angles C4'-P-C4' energy: -174.477
flat angles P-C4'-P energy: -127.622
tors. eta vs tors. theta energy: -206.919
Dist. restrs. and SS energy: 2.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2279.495090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.495090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.317189 (E_RNA)
where:
Base-Base interactions energy: -1502.146
where: short stacking energy: -636.119
Base-Backbone interact. energy: -4.698
local terms energy: -774.472492
where:
bonds (distance) C4'-P energy: -160.057
bonds (distance) P-C4' energy: -165.937
flat angles C4'-P-C4' energy: -157.306
flat angles P-C4'-P energy: -106.748
tors. eta vs tors. theta energy: -184.426
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: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2220.839320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.839320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.517936 (E_RNA)
where:
Base-Base interactions energy: -1504.968
where: short stacking energy: -648.120
Base-Backbone interact. energy: 0.825
local terms energy: -724.374750
where:
bonds (distance) C4'-P energy: -136.779
bonds (distance) P-C4' energy: -133.787
flat angles C4'-P-C4' energy: -163.314
flat angles P-C4'-P energy: -105.867
tors. eta vs tors. theta energy: -184.629
Dist. restrs. and SS energy: 7.679 (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: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2125.454876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.454876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.122341 (E_RNA)
where:
Base-Base interactions energy: -1419.552
where: short stacking energy: -624.753
Base-Backbone interact. energy: 3.660
local terms energy: -713.230429
where:
bonds (distance) C4'-P energy: -137.610
bonds (distance) P-C4' energy: -150.732
flat angles C4'-P-C4' energy: -152.576
flat angles P-C4'-P energy: -99.263
tors. eta vs tors. theta energy: -173.050
Dist. restrs. and SS energy: 3.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2067.384622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.384622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.032332 (E_RNA)
where:
Base-Base interactions energy: -1406.983
where: short stacking energy: -600.381
Base-Backbone interact. energy: -1.418
local terms energy: -661.631644
where:
bonds (distance) C4'-P energy: -135.204
bonds (distance) P-C4' energy: -134.365
flat angles C4'-P-C4' energy: -148.284
flat angles P-C4'-P energy: -99.252
tors. eta vs tors. theta energy: -144.526
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1959.547258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.547258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.524186 (E_RNA)
where:
Base-Base interactions energy: -1320.962
where: short stacking energy: -566.067
Base-Backbone interact. energy: -1.531
local terms energy: -641.030420
where:
bonds (distance) C4'-P energy: -123.230
bonds (distance) P-C4' energy: -133.085
flat angles C4'-P-C4' energy: -136.366
flat angles P-C4'-P energy: -93.628
tors. eta vs tors. theta energy: -154.720
Dist. restrs. and SS energy: 3.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1883.042229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.042229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.636386 (E_RNA)
where:
Base-Base interactions energy: -1264.367
where: short stacking energy: -536.419
Base-Backbone interact. energy: -1.352
local terms energy: -619.917680
where:
bonds (distance) C4'-P energy: -129.050
bonds (distance) P-C4' energy: -110.719
flat angles C4'-P-C4' energy: -157.463
flat angles P-C4'-P energy: -91.026
tors. eta vs tors. theta energy: -131.660
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2779.447107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.447107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.095991 (E_RNA)
where:
Base-Base interactions energy: -1914.056
where: short stacking energy: -812.135
Base-Backbone interact. energy: -0.876
local terms energy: -866.163408
where:
bonds (distance) C4'-P energy: -173.296
bonds (distance) P-C4' energy: -158.503
flat angles C4'-P-C4' energy: -188.275
flat angles P-C4'-P energy: -122.217
tors. eta vs tors. theta energy: -223.872
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2659.918951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.918951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.548542 (E_RNA)
where:
Base-Base interactions energy: -1828.556
where: short stacking energy: -787.671
Base-Backbone interact. energy: -1.542
local terms energy: -831.449619
where:
bonds (distance) C4'-P energy: -163.377
bonds (distance) P-C4' energy: -163.702
flat angles C4'-P-C4' energy: -183.658
flat angles P-C4'-P energy: -108.593
tors. eta vs tors. theta energy: -212.119
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: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2563.545730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.545730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.695834 (E_RNA)
where:
Base-Base interactions energy: -1720.018
where: short stacking energy: -750.574
Base-Backbone interact. energy: -4.032
local terms energy: -841.646478
where:
bonds (distance) C4'-P energy: -158.340
bonds (distance) P-C4' energy: -160.619
flat angles C4'-P-C4' energy: -183.030
flat angles P-C4'-P energy: -124.123
tors. eta vs tors. theta energy: -215.535
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2415.559658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.559658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.703746 (E_RNA)
where:
Base-Base interactions energy: -1618.624
where: short stacking energy: -693.319
Base-Backbone interact. energy: 0.383
local terms energy: -798.462139
where:
bonds (distance) C4'-P energy: -153.961
bonds (distance) P-C4' energy: -151.760
flat angles C4'-P-C4' energy: -174.405
flat angles P-C4'-P energy: -116.101
tors. eta vs tors. theta energy: -202.235
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2272.534572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.534572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.724778 (E_RNA)
where:
Base-Base interactions energy: -1506.302
where: short stacking energy: -667.291
Base-Backbone interact. energy: 1.423
local terms energy: -769.845380
where:
bonds (distance) C4'-P energy: -149.362
bonds (distance) P-C4' energy: -154.333
flat angles C4'-P-C4' energy: -154.449
flat angles P-C4'-P energy: -126.749
tors. eta vs tors. theta energy: -184.952
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: 65
Temperature: 1.150000
Total energy: -2183.118550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.118550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.141515 (E_RNA)
where:
Base-Base interactions energy: -1475.996
where: short stacking energy: -632.645
Base-Backbone interact. energy: 0.407
local terms energy: -709.552180
where:
bonds (distance) C4'-P energy: -136.832
bonds (distance) P-C4' energy: -133.949
flat angles C4'-P-C4' energy: -160.197
flat angles P-C4'-P energy: -92.533
tors. eta vs tors. theta energy: -186.041
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2082.526180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.526180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.540682 (E_RNA)
where:
Base-Base interactions energy: -1425.124
where: short stacking energy: -606.240
Base-Backbone interact. energy: -2.441
local terms energy: -660.975631
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -147.953
flat angles C4'-P-C4' energy: -149.282
flat angles P-C4'-P energy: -83.514
tors. eta vs tors. theta energy: -158.333
Dist. restrs. and SS energy: 6.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2044.472244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.472244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.633647 (E_RNA)
where:
Base-Base interactions energy: -1358.461
where: short stacking energy: -592.513
Base-Backbone interact. energy: -3.104
local terms energy: -687.068567
where:
bonds (distance) C4'-P energy: -119.085
bonds (distance) P-C4' energy: -141.605
flat angles C4'-P-C4' energy: -142.211
flat angles P-C4'-P energy: -107.359
tors. eta vs tors. theta energy: -176.809
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1911.871509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.871509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.755550 (E_RNA)
where:
Base-Base interactions energy: -1290.339
where: short stacking energy: -532.202
Base-Backbone interact. energy: -2.349
local terms energy: -622.067540
where:
bonds (distance) C4'-P energy: -119.040
bonds (distance) P-C4' energy: -121.427
flat angles C4'-P-C4' energy: -156.188
flat angles P-C4'-P energy: -88.728
tors. eta vs tors. theta energy: -136.686
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: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1908.011438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.011438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.314863 (E_RNA)
where:
Base-Base interactions energy: -1293.345
where: short stacking energy: -540.542
Base-Backbone interact. energy: -0.954
local terms energy: -618.016380
where:
bonds (distance) C4'-P energy: -139.016
bonds (distance) P-C4' energy: -125.704
flat angles C4'-P-C4' energy: -145.507
flat angles P-C4'-P energy: -74.137
tors. eta vs tors. theta energy: -133.652
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2784.580364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.580364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.989248 (E_RNA)
where:
Base-Base interactions energy: -1879.346
where: short stacking energy: -816.851
Base-Backbone interact. energy: -2.515
local terms energy: -905.128991
where:
bonds (distance) C4'-P energy: -166.365
bonds (distance) P-C4' energy: -170.199
flat angles C4'-P-C4' energy: -195.486
flat angles P-C4'-P energy: -136.995
tors. eta vs tors. theta energy: -236.085
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: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2646.627755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.627755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.969056 (E_RNA)
where:
Base-Base interactions energy: -1821.812
where: short stacking energy: -810.973
Base-Backbone interact. energy: -0.401
local terms energy: -825.756454
where:
bonds (distance) C4'-P energy: -153.785
bonds (distance) P-C4' energy: -163.827
flat angles C4'-P-C4' energy: -172.815
flat angles P-C4'-P energy: -106.509
tors. eta vs tors. theta energy: -228.821
Dist. restrs. and SS energy: 1.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2500.380831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.380831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.186179 (E_RNA)
where:
Base-Base interactions energy: -1679.316
where: short stacking energy: -733.440
Base-Backbone interact. energy: -2.440
local terms energy: -820.429311
where:
bonds (distance) C4'-P energy: -147.484
bonds (distance) P-C4' energy: -146.005
flat angles C4'-P-C4' energy: -183.103
flat angles P-C4'-P energy: -129.964
tors. eta vs tors. theta energy: -213.873
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: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2487.337372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.337372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.054921 (E_RNA)
where:
Base-Base interactions energy: -1707.072
where: short stacking energy: -739.343
Base-Backbone interact. energy: -1.592
local terms energy: -780.390424
where:
bonds (distance) C4'-P energy: -149.081
bonds (distance) P-C4' energy: -136.263
flat angles C4'-P-C4' energy: -173.722
flat angles P-C4'-P energy: -107.778
tors. eta vs tors. theta energy: -213.546
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: 66
Temperature: 1.100000
Total energy: -2313.432520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.432520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.322683 (E_RNA)
where:
Base-Base interactions energy: -1528.033
where: short stacking energy: -687.407
Base-Backbone interact. energy: -1.443
local terms energy: -785.845940
where:
bonds (distance) C4'-P energy: -160.754
bonds (distance) P-C4' energy: -143.861
flat angles C4'-P-C4' energy: -173.086
flat angles P-C4'-P energy: -117.999
tors. eta vs tors. theta energy: -190.146
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2222.345396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.345396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.479954 (E_RNA)
where:
Base-Base interactions energy: -1495.005
where: short stacking energy: -649.004
Base-Backbone interact. energy: 2.350
local terms energy: -731.824933
where:
bonds (distance) C4'-P energy: -130.201
bonds (distance) P-C4' energy: -151.139
flat angles C4'-P-C4' energy: -163.705
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -190.848
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: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2065.656996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.656996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.905670 (E_RNA)
where:
Base-Base interactions energy: -1385.957
where: short stacking energy: -631.669
Base-Backbone interact. energy: -1.145
local terms energy: -685.804052
where:
bonds (distance) C4'-P energy: -126.420
bonds (distance) P-C4' energy: -131.276
flat angles C4'-P-C4' energy: -151.602
flat angles P-C4'-P energy: -104.474
tors. eta vs tors. theta energy: -172.033
Dist. restrs. and SS energy: 7.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -2038.838747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.838747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.498666 (E_RNA)
where:
Base-Base interactions energy: -1394.662
where: short stacking energy: -570.790
Base-Backbone interact. energy: -3.208
local terms energy: -643.628703
where:
bonds (distance) C4'-P energy: -146.342
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -146.211
flat angles P-C4'-P energy: -88.645
tors. eta vs tors. theta energy: -155.935
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: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1920.148298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.148298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.776936 (E_RNA)
where:
Base-Base interactions energy: -1292.015
where: short stacking energy: -564.372
Base-Backbone interact. energy: 2.390
local terms energy: -635.151895
where:
bonds (distance) C4'-P energy: -119.190
bonds (distance) P-C4' energy: -131.118
flat angles C4'-P-C4' energy: -143.377
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -147.141
Dist. restrs. and SS energy: 4.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1885.697196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.697196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.980123 (E_RNA)
where:
Base-Base interactions energy: -1261.978
where: short stacking energy: -520.432
Base-Backbone interact. energy: -1.082
local terms energy: -624.920216
where:
bonds (distance) C4'-P energy: -136.141
bonds (distance) P-C4' energy: -125.148
flat angles C4'-P-C4' energy: -132.769
flat angles P-C4'-P energy: -77.152
tors. eta vs tors. theta energy: -153.711
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2776.607356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.607356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.910862 (E_RNA)
where:
Base-Base interactions energy: -1911.302
where: short stacking energy: -822.893
Base-Backbone interact. energy: -3.317
local terms energy: -864.291798
where:
bonds (distance) C4'-P energy: -160.102
bonds (distance) P-C4' energy: -166.752
flat angles C4'-P-C4' energy: -181.334
flat angles P-C4'-P energy: -115.455
tors. eta vs tors. theta energy: -240.649
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: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2665.621027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.621027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.652901 (E_RNA)
where:
Base-Base interactions energy: -1832.583
where: short stacking energy: -775.127
Base-Backbone interact. energy: -2.184
local terms energy: -832.886182
where:
bonds (distance) C4'-P energy: -159.748
bonds (distance) P-C4' energy: -161.215
flat angles C4'-P-C4' energy: -168.631
flat angles P-C4'-P energy: -118.179
tors. eta vs tors. theta energy: -225.113
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: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2479.594000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.594000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.984527 (E_RNA)
where:
Base-Base interactions energy: -1686.608
where: short stacking energy: -761.238
Base-Backbone interact. energy: -1.609
local terms energy: -793.766936
where:
bonds (distance) C4'-P energy: -142.986
bonds (distance) P-C4' energy: -151.149
flat angles C4'-P-C4' energy: -177.044
flat angles P-C4'-P energy: -117.499
tors. eta vs tors. theta energy: -205.089
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: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2453.341729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.341729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.075529 (E_RNA)
where:
Base-Base interactions energy: -1670.608
where: short stacking energy: -717.075
Base-Backbone interact. energy: -0.975
local terms energy: -783.493024
where:
bonds (distance) C4'-P energy: -151.873
bonds (distance) P-C4' energy: -144.299
flat angles C4'-P-C4' energy: -162.028
flat angles P-C4'-P energy: -110.062
tors. eta vs tors. theta energy: -215.230
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: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2294.084701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.084701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.827585 (E_RNA)
where:
Base-Base interactions energy: -1564.108
where: short stacking energy: -704.475
Base-Backbone interact. energy: -1.161
local terms energy: -731.559012
where:
bonds (distance) C4'-P energy: -150.668
bonds (distance) P-C4' energy: -138.270
flat angles C4'-P-C4' energy: -145.760
flat angles P-C4'-P energy: -103.492
tors. eta vs tors. theta energy: -193.369
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: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2207.492361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.492361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.861124 (E_RNA)
where:
Base-Base interactions energy: -1486.181
where: short stacking energy: -663.180
Base-Backbone interact. energy: -2.018
local terms energy: -721.662100
where:
bonds (distance) C4'-P energy: -127.361
bonds (distance) P-C4' energy: -155.221
flat angles C4'-P-C4' energy: -173.387
flat angles P-C4'-P energy: -91.067
tors. eta vs tors. theta energy: -174.626
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: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2092.780420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.780420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.291025 (E_RNA)
where:
Base-Base interactions energy: -1416.104
where: short stacking energy: -610.104
Base-Backbone interact. energy: -1.235
local terms energy: -680.952071
where:
bonds (distance) C4'-P energy: -145.451
bonds (distance) P-C4' energy: -116.383
flat angles C4'-P-C4' energy: -154.042
flat angles P-C4'-P energy: -101.485
tors. eta vs tors. theta energy: -163.591
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: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1990.816953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.816953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.249243 (E_RNA)
where:
Base-Base interactions energy: -1338.088
where: short stacking energy: -564.858
Base-Backbone interact. energy: 0.063
local terms energy: -655.223310
where:
bonds (distance) C4'-P energy: -136.705
bonds (distance) P-C4' energy: -129.324
flat angles C4'-P-C4' energy: -156.429
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -136.670
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: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1991.884089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.884089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.205916 (E_RNA)
where:
Base-Base interactions energy: -1348.996
where: short stacking energy: -570.161
Base-Backbone interact. energy: -1.864
local terms energy: -643.346017
where:
bonds (distance) C4'-P energy: -110.126
bonds (distance) P-C4' energy: -133.852
flat angles C4'-P-C4' energy: -147.658
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -156.784
Dist. restrs. and SS energy: 2.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1892.813034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.813034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.210107 (E_RNA)
where:
Base-Base interactions energy: -1248.993
where: short stacking energy: -519.593
Base-Backbone interact. energy: -2.261
local terms energy: -644.956168
where:
bonds (distance) C4'-P energy: -145.055
bonds (distance) P-C4' energy: -123.003
flat angles C4'-P-C4' energy: -140.073
flat angles P-C4'-P energy: -90.805
tors. eta vs tors. theta energy: -146.020
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: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2747.528433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.528433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.369238 (E_RNA)
where:
Base-Base interactions energy: -1870.396
where: short stacking energy: -814.554
Base-Backbone interact. energy: -0.365
local terms energy: -878.607931
where:
bonds (distance) C4'-P energy: -154.218
bonds (distance) P-C4' energy: -160.486
flat angles C4'-P-C4' energy: -189.344
flat angles P-C4'-P energy: -138.607
tors. eta vs tors. theta energy: -235.953
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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2668.823485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.823485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.430958 (E_RNA)
where:
Base-Base interactions energy: -1831.230
where: short stacking energy: -795.733
Base-Backbone interact. energy: 1.361
local terms energy: -840.561648
where:
bonds (distance) C4'-P energy: -152.605
bonds (distance) P-C4' energy: -169.843
flat angles C4'-P-C4' energy: -180.102
flat angles P-C4'-P energy: -115.219
tors. eta vs tors. theta energy: -222.792
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: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2508.519355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.519355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.257158 (E_RNA)
where:
Base-Base interactions energy: -1718.031
where: short stacking energy: -731.904
Base-Backbone interact. energy: -3.943
local terms energy: -788.282970
where:
bonds (distance) C4'-P energy: -139.669
bonds (distance) P-C4' energy: -151.184
flat angles C4'-P-C4' energy: -171.602
flat angles P-C4'-P energy: -116.949
tors. eta vs tors. theta energy: -208.880
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: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2443.748302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.748302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.291878 (E_RNA)
where:
Base-Base interactions energy: -1657.937
where: short stacking energy: -735.204
Base-Backbone interact. energy: -3.365
local terms energy: -783.990227
where:
bonds (distance) C4'-P energy: -138.070
bonds (distance) P-C4' energy: -145.710
flat angles C4'-P-C4' energy: -165.469
flat angles P-C4'-P energy: -118.762
tors. eta vs tors. theta energy: -215.979
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: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2252.918591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.918591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.871810 (E_RNA)
where:
Base-Base interactions energy: -1496.820
where: short stacking energy: -656.849
Base-Backbone interact. energy: 2.965
local terms energy: -761.016605
where:
bonds (distance) C4'-P energy: -136.256
bonds (distance) P-C4' energy: -145.948
flat angles C4'-P-C4' energy: -175.509
flat angles P-C4'-P energy: -121.694
tors. eta vs tors. theta energy: -181.609
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: 68
Temperature: 1.150000
Total energy: -2194.461285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.461285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.804271 (E_RNA)
where:
Base-Base interactions energy: -1481.418
where: short stacking energy: -649.810
Base-Backbone interact. energy: -0.310
local terms energy: -715.076025
where:
bonds (distance) C4'-P energy: -136.156
bonds (distance) P-C4' energy: -137.247
flat angles C4'-P-C4' energy: -154.267
flat angles P-C4'-P energy: -110.019
tors. eta vs tors. theta energy: -177.388
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: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2106.623418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.623418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.937451 (E_RNA)
where:
Base-Base interactions energy: -1429.165
where: short stacking energy: -620.281
Base-Backbone interact. energy: -2.277
local terms energy: -684.494851
where:
bonds (distance) C4'-P energy: -113.115
bonds (distance) P-C4' energy: -139.341
flat angles C4'-P-C4' energy: -142.845
flat angles P-C4'-P energy: -106.514
tors. eta vs tors. theta energy: -182.679
Dist. restrs. and SS energy: 9.314 (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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2003.677644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.677644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.851634 (E_RNA)
where:
Base-Base interactions energy: -1378.775
where: short stacking energy: -586.860
Base-Backbone interact. energy: -2.027
local terms energy: -626.049780
where:
bonds (distance) C4'-P energy: -117.117
bonds (distance) P-C4' energy: -120.955
flat angles C4'-P-C4' energy: -134.705
flat angles P-C4'-P energy: -97.121
tors. eta vs tors. theta energy: -156.151
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: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1998.734755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.734755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.828597 (E_RNA)
where:
Base-Base interactions energy: -1323.967
where: short stacking energy: -570.020
Base-Backbone interact. energy: -5.064
local terms energy: -671.797204
where:
bonds (distance) C4'-P energy: -119.974
bonds (distance) P-C4' energy: -158.174
flat angles C4'-P-C4' energy: -148.286
flat angles P-C4'-P energy: -92.590
tors. eta vs tors. theta energy: -152.773
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: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1868.286636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.286636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.073441 (E_RNA)
where:
Base-Base interactions energy: -1285.877
where: short stacking energy: -526.626
Base-Backbone interact. energy: 3.019
local terms energy: -587.215523
where:
bonds (distance) C4'-P energy: -139.341
bonds (distance) P-C4' energy: -129.736
flat angles C4'-P-C4' energy: -115.520
flat angles P-C4'-P energy: -78.792
tors. eta vs tors. theta energy: -123.827
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: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2763.963184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.963184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.431934 (E_RNA)
where:
Base-Base interactions energy: -1920.163
where: short stacking energy: -812.695
Base-Backbone interact. energy: -0.032
local terms energy: -845.236369
where:
bonds (distance) C4'-P energy: -143.907
bonds (distance) P-C4' energy: -170.114
flat angles C4'-P-C4' energy: -177.325
flat angles P-C4'-P energy: -118.459
tors. eta vs tors. theta energy: -235.431
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: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2659.699177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.699177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.516151 (E_RNA)
where:
Base-Base interactions energy: -1817.094
where: short stacking energy: -747.836
Base-Backbone interact. energy: -0.365
local terms energy: -844.057476
where:
bonds (distance) C4'-P energy: -146.960
bonds (distance) P-C4' energy: -169.993
flat angles C4'-P-C4' energy: -178.973
flat angles P-C4'-P energy: -138.746
tors. eta vs tors. theta energy: -209.386
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2573.572035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.572035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.497663 (E_RNA)
where:
Base-Base interactions energy: -1751.685
where: short stacking energy: -764.175
Base-Backbone interact. energy: -1.013
local terms energy: -822.799243
where:
bonds (distance) C4'-P energy: -137.573
bonds (distance) P-C4' energy: -159.562
flat angles C4'-P-C4' energy: -184.238
flat angles P-C4'-P energy: -124.831
tors. eta vs tors. theta energy: -216.596
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: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2464.706322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.706322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.464341 (E_RNA)
where:
Base-Base interactions energy: -1671.023
where: short stacking energy: -732.759
Base-Backbone interact. energy: 0.147
local terms energy: -795.587872
where:
bonds (distance) C4'-P energy: -153.924
bonds (distance) P-C4' energy: -137.313
flat angles C4'-P-C4' energy: -178.728
flat angles P-C4'-P energy: -119.234
tors. eta vs tors. theta energy: -206.389
Dist. restrs. and SS energy: 1.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2267.004185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.004185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.287120 (E_RNA)
where:
Base-Base interactions energy: -1543.052
where: short stacking energy: -686.697
Base-Backbone interact. energy: 0.480
local terms energy: -726.715367
where:
bonds (distance) C4'-P energy: -144.440
bonds (distance) P-C4' energy: -146.423
flat angles C4'-P-C4' energy: -158.802
flat angles P-C4'-P energy: -89.908
tors. eta vs tors. theta energy: -187.142
Dist. restrs. and SS energy: 2.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2211.778887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.778887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.255121 (E_RNA)
where:
Base-Base interactions energy: -1540.364
where: short stacking energy: -661.986
Base-Backbone interact. energy: 3.955
local terms energy: -676.846136
where:
bonds (distance) C4'-P energy: -129.948
bonds (distance) P-C4' energy: -126.642
flat angles C4'-P-C4' energy: -152.822
flat angles P-C4'-P energy: -95.996
tors. eta vs tors. theta energy: -171.438
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2060.016781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.016781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.588474 (E_RNA)
where:
Base-Base interactions energy: -1390.752
where: short stacking energy: -601.448
Base-Backbone interact. energy: 2.357
local terms energy: -682.192879
where:
bonds (distance) C4'-P energy: -136.824
bonds (distance) P-C4' energy: -150.635
flat angles C4'-P-C4' energy: -145.315
flat angles P-C4'-P energy: -84.260
tors. eta vs tors. theta energy: -165.160
Dist. restrs. and SS energy: 10.572 (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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2006.359088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.359088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.328987 (E_RNA)
where:
Base-Base interactions energy: -1351.927
where: short stacking energy: -585.126
Base-Backbone interact. energy: -1.470
local terms energy: -654.931792
where:
bonds (distance) C4'-P energy: -138.360
bonds (distance) P-C4' energy: -137.371
flat angles C4'-P-C4' energy: -135.909
flat angles P-C4'-P energy: -84.835
tors. eta vs tors. theta energy: -158.457
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: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1980.521064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.521064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.888000 (E_RNA)
where:
Base-Base interactions energy: -1354.625
where: short stacking energy: -585.722
Base-Backbone interact. energy: -0.804
local terms energy: -628.458957
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -119.205
flat angles C4'-P-C4' energy: -153.903
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -154.089
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: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1956.067640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.067640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.529467 (E_RNA)
where:
Base-Base interactions energy: -1326.875
where: short stacking energy: -561.095
Base-Backbone interact. energy: 1.019
local terms energy: -632.673405
where:
bonds (distance) C4'-P energy: -134.821
bonds (distance) P-C4' energy: -130.117
flat angles C4'-P-C4' energy: -150.308
flat angles P-C4'-P energy: -79.569
tors. eta vs tors. theta energy: -137.859
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: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2775.350491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.350491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.843756 (E_RNA)
where:
Base-Base interactions energy: -1886.913
where: short stacking energy: -814.931
Base-Backbone interact. energy: -0.626
local terms energy: -889.304695
where:
bonds (distance) C4'-P energy: -157.010
bonds (distance) P-C4' energy: -171.588
flat angles C4'-P-C4' energy: -203.084
flat angles P-C4'-P energy: -124.422
tors. eta vs tors. theta energy: -233.201
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2659.126268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.126268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.497003 (E_RNA)
where:
Base-Base interactions energy: -1825.660
where: short stacking energy: -780.353
Base-Backbone interact. energy: 0.157
local terms energy: -834.993173
where:
bonds (distance) C4'-P energy: -157.914
bonds (distance) P-C4' energy: -161.186
flat angles C4'-P-C4' energy: -176.514
flat angles P-C4'-P energy: -103.809
tors. eta vs tors. theta energy: -235.569
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2589.780690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.780690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.258219 (E_RNA)
where:
Base-Base interactions energy: -1777.590
where: short stacking energy: -752.594
Base-Backbone interact. energy: -1.471
local terms energy: -814.197738
where:
bonds (distance) C4'-P energy: -135.287
bonds (distance) P-C4' energy: -167.386
flat angles C4'-P-C4' energy: -176.918
flat angles P-C4'-P energy: -110.823
tors. eta vs tors. theta energy: -223.783
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: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2463.419792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.419792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.847211 (E_RNA)
where:
Base-Base interactions energy: -1672.589
where: short stacking energy: -748.704
Base-Backbone interact. energy: -2.478
local terms energy: -789.780151
where:
bonds (distance) C4'-P energy: -141.570
bonds (distance) P-C4' energy: -142.799
flat angles C4'-P-C4' energy: -166.870
flat angles P-C4'-P energy: -119.673
tors. eta vs tors. theta energy: -218.869
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: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2285.322555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.322555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.988331 (E_RNA)
where:
Base-Base interactions energy: -1527.723
where: short stacking energy: -670.293
Base-Backbone interact. energy: 1.358
local terms energy: -760.623143
where:
bonds (distance) C4'-P energy: -147.584
bonds (distance) P-C4' energy: -152.008
flat angles C4'-P-C4' energy: -163.341
flat angles P-C4'-P energy: -107.367
tors. eta vs tors. theta energy: -190.323
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: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2236.390404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.390404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.278417 (E_RNA)
where:
Base-Base interactions energy: -1472.959
where: short stacking energy: -662.976
Base-Backbone interact. energy: 6.383
local terms energy: -771.703024
where:
bonds (distance) C4'-P energy: -152.432
bonds (distance) P-C4' energy: -151.085
flat angles C4'-P-C4' energy: -187.889
flat angles P-C4'-P energy: -100.060
tors. eta vs tors. theta energy: -180.237
Dist. restrs. and SS energy: 1.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2100.153337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.153337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.253901 (E_RNA)
where:
Base-Base interactions energy: -1431.526
where: short stacking energy: -605.090
Base-Backbone interact. energy: -1.674
local terms energy: -671.053620
where:
bonds (distance) C4'-P energy: -119.903
bonds (distance) P-C4' energy: -143.141
flat angles C4'-P-C4' energy: -155.068
flat angles P-C4'-P energy: -88.780
tors. eta vs tors. theta energy: -164.161
Dist. restrs. and SS energy: 4.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1973.037352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.037352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.391743 (E_RNA)
where:
Base-Base interactions energy: -1321.209
where: short stacking energy: -542.536
Base-Backbone interact. energy: -1.872
local terms energy: -658.311317
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -128.838
flat angles C4'-P-C4' energy: -142.344
flat angles P-C4'-P energy: -111.072
tors. eta vs tors. theta energy: -149.310
Dist. restrs. and SS energy: 8.354 (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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1933.472315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.472315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.016484 (E_RNA)
where:
Base-Base interactions energy: -1308.919
where: short stacking energy: -553.021
Base-Backbone interact. energy: 4.802
local terms energy: -633.900089
where:
bonds (distance) C4'-P energy: -138.066
bonds (distance) P-C4' energy: -141.029
flat angles C4'-P-C4' energy: -124.211
flat angles P-C4'-P energy: -88.556
tors. eta vs tors. theta energy: -142.038
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1882.063268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.063268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.092156 (E_RNA)
where:
Base-Base interactions energy: -1295.167
where: short stacking energy: -538.075
Base-Backbone interact. energy: -0.896
local terms energy: -591.029141
where:
bonds (distance) C4'-P energy: -110.975
bonds (distance) P-C4' energy: -122.687
flat angles C4'-P-C4' energy: -139.514
flat angles P-C4'-P energy: -77.226
tors. eta vs tors. theta energy: -140.627
Dist. restrs. and SS energy: 5.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2784.574164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.574164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.055273 (E_RNA)
where:
Base-Base interactions energy: -1909.935
where: short stacking energy: -832.921
Base-Backbone interact. energy: -3.900
local terms energy: -872.220339
where:
bonds (distance) C4'-P energy: -168.508
bonds (distance) P-C4' energy: -148.160
flat angles C4'-P-C4' energy: -187.606
flat angles P-C4'-P energy: -123.204
tors. eta vs tors. theta energy: -244.743
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: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2636.871015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.871015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.900077 (E_RNA)
where:
Base-Base interactions energy: -1806.843
where: short stacking energy: -767.175
Base-Backbone interact. energy: 0.812
local terms energy: -832.869638
where:
bonds (distance) C4'-P energy: -158.608
bonds (distance) P-C4' energy: -153.123
flat angles C4'-P-C4' energy: -179.641
flat angles P-C4'-P energy: -120.506
tors. eta vs tors. theta energy: -220.991
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2607.840533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.840533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.591651 (E_RNA)
where:
Base-Base interactions energy: -1774.451
where: short stacking energy: -754.859
Base-Backbone interact. energy: -2.711
local terms energy: -832.428943
where:
bonds (distance) C4'-P energy: -147.349
bonds (distance) P-C4' energy: -163.333
flat angles C4'-P-C4' energy: -176.621
flat angles P-C4'-P energy: -122.606
tors. eta vs tors. theta energy: -222.520
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2433.052747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.052747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.506147 (E_RNA)
where:
Base-Base interactions energy: -1657.259
where: short stacking energy: -740.950
Base-Backbone interact. energy: -2.138
local terms energy: -775.109520
where:
bonds (distance) C4'-P energy: -155.901
bonds (distance) P-C4' energy: -142.538
flat angles C4'-P-C4' energy: -145.799
flat angles P-C4'-P energy: -115.901
tors. eta vs tors. theta energy: -214.970
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: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2275.391340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.391340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.157603 (E_RNA)
where:
Base-Base interactions energy: -1534.866
where: short stacking energy: -640.660
Base-Backbone interact. energy: 3.415
local terms energy: -745.706733
where:
bonds (distance) C4'-P energy: -141.996
bonds (distance) P-C4' energy: -150.864
flat angles C4'-P-C4' energy: -175.241
flat angles P-C4'-P energy: -99.886
tors. eta vs tors. theta energy: -177.720
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2225.238859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.238859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.596784 (E_RNA)
where:
Base-Base interactions energy: -1500.667
where: short stacking energy: -632.011
Base-Backbone interact. energy: 0.892
local terms energy: -726.822077
where:
bonds (distance) C4'-P energy: -146.857
bonds (distance) P-C4' energy: -141.422
flat angles C4'-P-C4' energy: -165.082
flat angles P-C4'-P energy: -108.553
tors. eta vs tors. theta energy: -164.908
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: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2058.680893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.680893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.247262 (E_RNA)
where:
Base-Base interactions energy: -1409.639
where: short stacking energy: -602.134
Base-Backbone interact. energy: 1.136
local terms energy: -651.743779
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -146.736
flat angles C4'-P-C4' energy: -158.489
flat angles P-C4'-P energy: -78.401
tors. eta vs tors. theta energy: -141.695
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1968.150200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.150200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.625962 (E_RNA)
where:
Base-Base interactions energy: -1318.300
where: short stacking energy: -534.355
Base-Backbone interact. energy: -2.110
local terms energy: -652.216430
where:
bonds (distance) C4'-P energy: -131.761
bonds (distance) P-C4' energy: -129.417
flat angles C4'-P-C4' energy: -155.906
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -133.844
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1980.046386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.046386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.689962 (E_RNA)
where:
Base-Base interactions energy: -1352.750
where: short stacking energy: -589.190
Base-Backbone interact. energy: 1.325
local terms energy: -631.265528
where:
bonds (distance) C4'-P energy: -120.556
bonds (distance) P-C4' energy: -134.579
flat angles C4'-P-C4' energy: -140.716
flat angles P-C4'-P energy: -92.139
tors. eta vs tors. theta energy: -143.275
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: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1869.257616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.257616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.920236 (E_RNA)
where:
Base-Base interactions energy: -1269.722
where: short stacking energy: -539.340
Base-Backbone interact. energy: -3.312
local terms energy: -599.886281
where:
bonds (distance) C4'-P energy: -112.578
bonds (distance) P-C4' energy: -136.465
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -95.729
tors. eta vs tors. theta energy: -120.038
Dist. restrs. and SS energy: 3.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2750.688652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.688652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.301179 (E_RNA)
where:
Base-Base interactions energy: -1888.221
where: short stacking energy: -801.859
Base-Backbone interact. energy: -2.897
local terms energy: -862.182719
where:
bonds (distance) C4'-P energy: -156.424
bonds (distance) P-C4' energy: -159.693
flat angles C4'-P-C4' energy: -183.740
flat angles P-C4'-P energy: -134.505
tors. eta vs tors. theta energy: -227.821
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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2646.083791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.083791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.880712 (E_RNA)
where:
Base-Base interactions energy: -1801.725
where: short stacking energy: -762.347
Base-Backbone interact. energy: -3.001
local terms energy: -843.155253
where:
bonds (distance) C4'-P energy: -146.369
bonds (distance) P-C4' energy: -168.089
flat angles C4'-P-C4' energy: -182.732
flat angles P-C4'-P energy: -123.507
tors. eta vs tors. theta energy: -222.458
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: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2564.562914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.562914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.055751 (E_RNA)
where:
Base-Base interactions energy: -1706.957
where: short stacking energy: -742.185
Base-Backbone interact. energy: -2.612
local terms energy: -856.486274
where:
bonds (distance) C4'-P energy: -149.870
bonds (distance) P-C4' energy: -179.202
flat angles C4'-P-C4' energy: -174.761
flat angles P-C4'-P energy: -131.369
tors. eta vs tors. theta energy: -221.285
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2446.353042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.353042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.676744 (E_RNA)
where:
Base-Base interactions energy: -1640.080
where: short stacking energy: -724.073
Base-Backbone interact. energy: -0.704
local terms energy: -806.892803
where:
bonds (distance) C4'-P energy: -135.439
bonds (distance) P-C4' energy: -165.212
flat angles C4'-P-C4' energy: -171.967
flat angles P-C4'-P energy: -124.122
tors. eta vs tors. theta energy: -210.152
Dist. restrs. and SS energy: 1.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2273.084566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.084566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.164612 (E_RNA)
where:
Base-Base interactions energy: -1531.800
where: short stacking energy: -678.040
Base-Backbone interact. energy: 1.436
local terms energy: -743.800645
where:
bonds (distance) C4'-P energy: -127.539
bonds (distance) P-C4' energy: -164.416
flat angles C4'-P-C4' energy: -164.731
flat angles P-C4'-P energy: -93.703
tors. eta vs tors. theta energy: -193.413
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: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2166.920353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.920353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.926866 (E_RNA)
where:
Base-Base interactions energy: -1455.627
where: short stacking energy: -647.332
Base-Backbone interact. energy: -0.858
local terms energy: -712.441968
where:
bonds (distance) C4'-P energy: -117.552
bonds (distance) P-C4' energy: -146.770
flat angles C4'-P-C4' energy: -180.375
flat angles P-C4'-P energy: -97.094
tors. eta vs tors. theta energy: -170.651
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: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2088.244987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.244987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.487351 (E_RNA)
where:
Base-Base interactions energy: -1371.696
where: short stacking energy: -586.636
Base-Backbone interact. energy: 0.077
local terms energy: -719.868672
where:
bonds (distance) C4'-P energy: -136.031
bonds (distance) P-C4' energy: -142.371
flat angles C4'-P-C4' energy: -163.080
flat angles P-C4'-P energy: -106.481
tors. eta vs tors. theta energy: -171.906
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: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1985.812988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.812988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.930884 (E_RNA)
where:
Base-Base interactions energy: -1309.429
where: short stacking energy: -577.836
Base-Backbone interact. energy: -3.901
local terms energy: -677.600945
where:
bonds (distance) C4'-P energy: -128.911
bonds (distance) P-C4' energy: -152.018
flat angles C4'-P-C4' energy: -150.982
flat angles P-C4'-P energy: -96.199
tors. eta vs tors. theta energy: -149.491
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: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1972.139476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.139476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.217921 (E_RNA)
where:
Base-Base interactions energy: -1353.687
where: short stacking energy: -575.553
Base-Backbone interact. energy: 2.083
local terms energy: -623.614170
where:
bonds (distance) C4'-P energy: -108.681
bonds (distance) P-C4' energy: -122.252
flat angles C4'-P-C4' energy: -144.595
flat angles P-C4'-P energy: -97.256
tors. eta vs tors. theta energy: -150.829
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1826.619245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.619245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.626754 (E_RNA)
where:
Base-Base interactions energy: -1250.910
where: short stacking energy: -487.519
Base-Backbone interact. energy: -0.723
local terms energy: -578.994074
where:
bonds (distance) C4'-P energy: -116.587
bonds (distance) P-C4' energy: -123.697
flat angles C4'-P-C4' energy: -137.973
flat angles P-C4'-P energy: -84.133
tors. eta vs tors. theta energy: -116.604
Dist. restrs. and SS energy: 4.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2780.745774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.745774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.239025 (E_RNA)
where:
Base-Base interactions energy: -1874.594
where: short stacking energy: -825.604
Base-Backbone interact. energy: 1.193
local terms energy: -909.837692
where:
bonds (distance) C4'-P energy: -159.078
bonds (distance) P-C4' energy: -179.772
flat angles C4'-P-C4' energy: -193.093
flat angles P-C4'-P energy: -128.699
tors. eta vs tors. theta energy: -249.195
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: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2646.586100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.586100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.840234 (E_RNA)
where:
Base-Base interactions energy: -1815.151
where: short stacking energy: -808.167
Base-Backbone interact. energy: 3.165
local terms energy: -836.854030
where:
bonds (distance) C4'-P energy: -151.169
bonds (distance) P-C4' energy: -161.959
flat angles C4'-P-C4' energy: -175.989
flat angles P-C4'-P energy: -113.950
tors. eta vs tors. theta energy: -233.787
Dist. restrs. and SS energy: 2.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2608.899320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.899320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.795427 (E_RNA)
where:
Base-Base interactions energy: -1766.817
where: short stacking energy: -753.306
Base-Backbone interact. energy: -4.333
local terms energy: -839.645264
where:
bonds (distance) C4'-P energy: -146.333
bonds (distance) P-C4' energy: -145.453
flat angles C4'-P-C4' energy: -179.865
flat angles P-C4'-P energy: -129.053
tors. eta vs tors. theta energy: -238.941
Dist. restrs. and SS energy: 1.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2468.315917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.315917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.251818 (E_RNA)
where:
Base-Base interactions energy: -1683.442
where: short stacking energy: -743.437
Base-Backbone interact. energy: 0.502
local terms energy: -787.312520
where:
bonds (distance) C4'-P energy: -158.047
bonds (distance) P-C4' energy: -150.860
flat angles C4'-P-C4' energy: -163.105
flat angles P-C4'-P energy: -102.290
tors. eta vs tors. theta energy: -213.010
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2279.641112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.641112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.703274 (E_RNA)
where:
Base-Base interactions energy: -1519.163
where: short stacking energy: -655.219
Base-Backbone interact. energy: -3.781
local terms energy: -759.758779
where:
bonds (distance) C4'-P energy: -151.722
bonds (distance) P-C4' energy: -147.371
flat angles C4'-P-C4' energy: -155.910
flat angles P-C4'-P energy: -104.585
tors. eta vs tors. theta energy: -200.170
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: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2163.544301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.544301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.857335 (E_RNA)
where:
Base-Base interactions energy: -1452.575
where: short stacking energy: -628.652
Base-Backbone interact. energy: -0.410
local terms energy: -712.872114
where:
bonds (distance) C4'-P energy: -130.911
bonds (distance) P-C4' energy: -163.383
flat angles C4'-P-C4' energy: -155.696
flat angles P-C4'-P energy: -98.403
tors. eta vs tors. theta energy: -164.481
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2106.349870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.349870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.103109 (E_RNA)
where:
Base-Base interactions energy: -1393.070
where: short stacking energy: -599.043
Base-Backbone interact. energy: -3.695
local terms energy: -713.338143
where:
bonds (distance) C4'-P energy: -132.921
bonds (distance) P-C4' energy: -170.041
flat angles C4'-P-C4' energy: -148.374
flat angles P-C4'-P energy: -97.165
tors. eta vs tors. theta energy: -164.838
Dist. restrs. and SS energy: 3.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2018.794009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.510251 (E_RNA)
where:
Base-Base interactions energy: -1415.596
where: short stacking energy: -585.227
Base-Backbone interact. energy: 3.832
local terms energy: -610.746513
where:
bonds (distance) C4'-P energy: -121.124
bonds (distance) P-C4' energy: -102.898
flat angles C4'-P-C4' energy: -143.942
flat angles P-C4'-P energy: -87.392
tors. eta vs tors. theta energy: -155.391
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1918.932942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.932942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.637052 (E_RNA)
where:
Base-Base interactions energy: -1286.074
where: short stacking energy: -546.129
Base-Backbone interact. energy: -1.087
local terms energy: -636.476574
where:
bonds (distance) C4'-P energy: -100.596
bonds (distance) P-C4' energy: -148.372
flat angles C4'-P-C4' energy: -151.134
flat angles P-C4'-P energy: -89.593
tors. eta vs tors. theta energy: -146.782
Dist. restrs. and SS energy: 4.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1894.601870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.601870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.983565 (E_RNA)
where:
Base-Base interactions energy: -1278.812
where: short stacking energy: -509.509
Base-Backbone interact. energy: 0.151
local terms energy: -619.323335
where:
bonds (distance) C4'-P energy: -134.920
bonds (distance) P-C4' energy: -154.585
flat angles C4'-P-C4' energy: -128.560
flat angles P-C4'-P energy: -87.194
tors. eta vs tors. theta energy: -114.064
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: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2759.655245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.655245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.809712 (E_RNA)
where:
Base-Base interactions energy: -1889.236
where: short stacking energy: -817.446
Base-Backbone interact. energy: -3.305
local terms energy: -869.268439
where:
bonds (distance) C4'-P energy: -150.840
bonds (distance) P-C4' energy: -173.429
flat angles C4'-P-C4' energy: -189.236
flat angles P-C4'-P energy: -115.024
tors. eta vs tors. theta energy: -240.739
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2657.560328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.560328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.189696 (E_RNA)
where:
Base-Base interactions energy: -1800.370
where: short stacking energy: -802.674
Base-Backbone interact. energy: -4.316
local terms energy: -854.504130
where:
bonds (distance) C4'-P energy: -166.351
bonds (distance) P-C4' energy: -157.214
flat angles C4'-P-C4' energy: -175.733
flat angles P-C4'-P energy: -120.911
tors. eta vs tors. theta energy: -234.296
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: 74
Temperature: 1.000000
Total energy: -2586.594485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.594485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.458101 (E_RNA)
where:
Base-Base interactions energy: -1764.160
where: short stacking energy: -734.310
Base-Backbone interact. energy: -1.430
local terms energy: -821.867726
where:
bonds (distance) C4'-P energy: -155.068
bonds (distance) P-C4' energy: -163.530
flat angles C4'-P-C4' energy: -167.384
flat angles P-C4'-P energy: -127.144
tors. eta vs tors. theta energy: -208.741
Dist. restrs. and SS energy: 0.864 (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: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2477.445894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.445894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.785156 (E_RNA)
where:
Base-Base interactions energy: -1686.843
where: short stacking energy: -716.152
Base-Backbone interact. energy: 1.356
local terms energy: -793.297984
where:
bonds (distance) C4'-P energy: -149.443
bonds (distance) P-C4' energy: -156.771
flat angles C4'-P-C4' energy: -160.744
flat angles P-C4'-P energy: -108.968
tors. eta vs tors. theta energy: -217.371
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: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2253.257620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.257620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.082742 (E_RNA)
where:
Base-Base interactions energy: -1490.199
where: short stacking energy: -689.879
Base-Backbone interact. energy: -4.125
local terms energy: -761.758828
where:
bonds (distance) C4'-P energy: -156.102
bonds (distance) P-C4' energy: -147.765
flat angles C4'-P-C4' energy: -157.473
flat angles P-C4'-P energy: -115.636
tors. eta vs tors. theta energy: -184.783
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: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2175.627808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.627808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.028456 (E_RNA)
where:
Base-Base interactions energy: -1461.487
where: short stacking energy: -629.114
Base-Backbone interact. energy: -3.280
local terms energy: -712.261442
where:
bonds (distance) C4'-P energy: -130.675
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -163.831
flat angles P-C4'-P energy: -98.234
tors. eta vs tors. theta energy: -174.490
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: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2146.719074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.719074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.833428 (E_RNA)
where:
Base-Base interactions energy: -1444.192
where: short stacking energy: -621.678
Base-Backbone interact. energy: -0.392
local terms energy: -705.249706
where:
bonds (distance) C4'-P energy: -139.998
bonds (distance) P-C4' energy: -130.169
flat angles C4'-P-C4' energy: -152.529
flat angles P-C4'-P energy: -107.244
tors. eta vs tors. theta energy: -175.310
Dist. restrs. and SS energy: 3.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2041.603228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.603228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.562912 (E_RNA)
where:
Base-Base interactions energy: -1382.488
where: short stacking energy: -592.902
Base-Backbone interact. energy: -2.773
local terms energy: -659.302141
where:
bonds (distance) C4'-P energy: -134.775
bonds (distance) P-C4' energy: -140.208
flat angles C4'-P-C4' energy: -147.162
flat angles P-C4'-P energy: -78.769
tors. eta vs tors. theta energy: -158.388
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1928.867787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.867787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.398475 (E_RNA)
where:
Base-Base interactions energy: -1271.275
where: short stacking energy: -539.534
Base-Backbone interact. energy: -0.968
local terms energy: -659.155439
where:
bonds (distance) C4'-P energy: -133.905
bonds (distance) P-C4' energy: -148.016
flat angles C4'-P-C4' energy: -140.173
flat angles P-C4'-P energy: -107.776
tors. eta vs tors. theta energy: -129.286
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1886.911820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.911820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.795342 (E_RNA)
where:
Base-Base interactions energy: -1322.569
where: short stacking energy: -540.549
Base-Backbone interact. energy: 0.838
local terms energy: -568.064574
where:
bonds (distance) C4'-P energy: -99.098
bonds (distance) P-C4' energy: -128.522
flat angles C4'-P-C4' energy: -130.560
flat angles P-C4'-P energy: -83.866
tors. eta vs tors. theta energy: -126.018
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2721.577406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.577406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.652631 (E_RNA)
where:
Base-Base interactions energy: -1866.117
where: short stacking energy: -781.201
Base-Backbone interact. energy: -2.284
local terms energy: -855.251876
where:
bonds (distance) C4'-P energy: -160.467
bonds (distance) P-C4' energy: -157.740
flat angles C4'-P-C4' energy: -183.090
flat angles P-C4'-P energy: -132.661
tors. eta vs tors. theta energy: -221.295
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: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2663.061951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.061951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.162363 (E_RNA)
where:
Base-Base interactions energy: -1829.531
where: short stacking energy: -787.180
Base-Backbone interact. energy: -2.742
local terms energy: -831.889990
where:
bonds (distance) C4'-P energy: -158.496
bonds (distance) P-C4' energy: -159.983
flat angles C4'-P-C4' energy: -178.078
flat angles P-C4'-P energy: -113.275
tors. eta vs tors. theta energy: -222.058
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: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2587.170391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.170391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.764378 (E_RNA)
where:
Base-Base interactions energy: -1783.485
where: short stacking energy: -758.761
Base-Backbone interact. energy: -3.680
local terms energy: -802.599527
where:
bonds (distance) C4'-P energy: -145.620
bonds (distance) P-C4' energy: -144.619
flat angles C4'-P-C4' energy: -178.166
flat angles P-C4'-P energy: -115.254
tors. eta vs tors. theta energy: -218.941
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: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2472.212205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.212205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.888304 (E_RNA)
where:
Base-Base interactions energy: -1662.296
where: short stacking energy: -704.354
Base-Backbone interact. energy: -2.813
local terms energy: -808.779803
where:
bonds (distance) C4'-P energy: -150.578
bonds (distance) P-C4' energy: -164.597
flat angles C4'-P-C4' energy: -174.184
flat angles P-C4'-P energy: -119.022
tors. eta vs tors. theta energy: -200.400
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: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2262.175497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.175497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.748674 (E_RNA)
where:
Base-Base interactions energy: -1530.186
where: short stacking energy: -644.635
Base-Backbone interact. energy: 1.284
local terms energy: -734.846064
where:
bonds (distance) C4'-P energy: -151.408
bonds (distance) P-C4' energy: -148.783
flat angles C4'-P-C4' energy: -154.555
flat angles P-C4'-P energy: -107.529
tors. eta vs tors. theta energy: -172.571
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2260.002865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.002865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.348655 (E_RNA)
where:
Base-Base interactions energy: -1496.021
where: short stacking energy: -632.250
Base-Backbone interact. energy: 4.191
local terms energy: -770.518534
where:
bonds (distance) C4'-P energy: -152.825
bonds (distance) P-C4' energy: -155.286
flat angles C4'-P-C4' energy: -168.474
flat angles P-C4'-P energy: -117.716
tors. eta vs tors. theta energy: -176.217
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: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2110.030707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.030707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.970037 (E_RNA)
where:
Base-Base interactions energy: -1436.355
where: short stacking energy: -676.848
Base-Backbone interact. energy: -2.445
local terms energy: -674.170490
where:
bonds (distance) C4'-P energy: -117.578
bonds (distance) P-C4' energy: -138.800
flat angles C4'-P-C4' energy: -155.234
flat angles P-C4'-P energy: -91.557
tors. eta vs tors. theta energy: -171.001
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: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1966.055373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.055373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.685013 (E_RNA)
where:
Base-Base interactions energy: -1354.583
where: short stacking energy: -555.634
Base-Backbone interact. energy: 0.177
local terms energy: -614.279105
where:
bonds (distance) C4'-P energy: -110.856
bonds (distance) P-C4' energy: -155.850
flat angles C4'-P-C4' energy: -124.254
flat angles P-C4'-P energy: -95.990
tors. eta vs tors. theta energy: -127.329
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1994.026847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.026847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.601242 (E_RNA)
where:
Base-Base interactions energy: -1377.849
where: short stacking energy: -577.702
Base-Backbone interact. energy: -1.997
local terms energy: -617.755404
where:
bonds (distance) C4'-P energy: -117.832
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -140.678
flat angles P-C4'-P energy: -72.828
tors. eta vs tors. theta energy: -160.809
Dist. restrs. and SS energy: 3.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1846.625963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.625963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.327500 (E_RNA)
where:
Base-Base interactions energy: -1238.279
where: short stacking energy: -521.099
Base-Backbone interact. energy: 1.990
local terms energy: -615.038856
where:
bonds (distance) C4'-P energy: -127.207
bonds (distance) P-C4' energy: -137.336
flat angles C4'-P-C4' energy: -146.329
flat angles P-C4'-P energy: -71.438
tors. eta vs tors. theta energy: -132.729
Dist. restrs. and SS energy: 4.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2792.533959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.533959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.778787 (E_RNA)
where:
Base-Base interactions energy: -1870.429
where: short stacking energy: -816.216
Base-Backbone interact. energy: -1.859
local terms energy: -921.491224
where:
bonds (distance) C4'-P energy: -162.540
bonds (distance) P-C4' energy: -181.749
flat angles C4'-P-C4' energy: -195.801
flat angles P-C4'-P energy: -144.377
tors. eta vs tors. theta energy: -237.025
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2620.100578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.100578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.177491 (E_RNA)
where:
Base-Base interactions energy: -1756.892
where: short stacking energy: -768.985
Base-Backbone interact. energy: -4.495
local terms energy: -861.790659
where:
bonds (distance) C4'-P energy: -150.246
bonds (distance) P-C4' energy: -176.341
flat angles C4'-P-C4' energy: -180.581
flat angles P-C4'-P energy: -126.848
tors. eta vs tors. theta energy: -227.775
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: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2594.772938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.772938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.189689 (E_RNA)
where:
Base-Base interactions energy: -1793.131
where: short stacking energy: -744.503
Base-Backbone interact. energy: 7.381
local terms energy: -810.439907
where:
bonds (distance) C4'-P energy: -140.663
bonds (distance) P-C4' energy: -164.994
flat angles C4'-P-C4' energy: -169.203
flat angles P-C4'-P energy: -110.990
tors. eta vs tors. theta energy: -224.590
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: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2457.385589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.385589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.970426 (E_RNA)
where:
Base-Base interactions energy: -1654.902
where: short stacking energy: -718.101
Base-Backbone interact. energy: -1.153
local terms energy: -803.915415
where:
bonds (distance) C4'-P energy: -151.430
bonds (distance) P-C4' energy: -151.616
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -107.383
tors. eta vs tors. theta energy: -228.868
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2296.449242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.449242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.308193 (E_RNA)
where:
Base-Base interactions energy: -1531.136
where: short stacking energy: -670.928
Base-Backbone interact. energy: 6.660
local terms energy: -774.831482
where:
bonds (distance) C4'-P energy: -150.915
bonds (distance) P-C4' energy: -158.768
flat angles C4'-P-C4' energy: -179.725
flat angles P-C4'-P energy: -97.123
tors. eta vs tors. theta energy: -188.301
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: 76
Temperature: 1.150000
Total energy: -2171.423022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.423022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.730042 (E_RNA)
where:
Base-Base interactions energy: -1452.723
where: short stacking energy: -615.940
Base-Backbone interact. energy: -0.152
local terms energy: -720.855273
where:
bonds (distance) C4'-P energy: -141.884
bonds (distance) P-C4' energy: -158.955
flat angles C4'-P-C4' energy: -150.020
flat angles P-C4'-P energy: -96.093
tors. eta vs tors. theta energy: -173.903
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: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2109.765209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.765209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.987016 (E_RNA)
where:
Base-Base interactions energy: -1414.299
where: short stacking energy: -604.603
Base-Backbone interact. energy: -3.958
local terms energy: -694.730047
where:
bonds (distance) C4'-P energy: -128.533
bonds (distance) P-C4' energy: -149.117
flat angles C4'-P-C4' energy: -147.956
flat angles P-C4'-P energy: -96.447
tors. eta vs tors. theta energy: -172.678
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: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2012.776157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.776157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.619352 (E_RNA)
where:
Base-Base interactions energy: -1344.412
where: short stacking energy: -571.248
Base-Backbone interact. energy: -1.100
local terms energy: -669.107130
where:
bonds (distance) C4'-P energy: -143.820
bonds (distance) P-C4' energy: -144.941
flat angles C4'-P-C4' energy: -139.703
flat angles P-C4'-P energy: -93.490
tors. eta vs tors. theta energy: -147.153
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1949.962243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.962243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.721600 (E_RNA)
where:
Base-Base interactions energy: -1326.957
where: short stacking energy: -543.337
Base-Backbone interact. energy: 0.015
local terms energy: -624.780552
where:
bonds (distance) C4'-P energy: -130.280
bonds (distance) P-C4' energy: -132.234
flat angles C4'-P-C4' energy: -141.123
flat angles P-C4'-P energy: -88.861
tors. eta vs tors. theta energy: -132.283
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1831.861568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.861568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.956848 (E_RNA)
where:
Base-Base interactions energy: -1256.649
where: short stacking energy: -512.126
Base-Backbone interact. energy: 2.997
local terms energy: -581.304916
where:
bonds (distance) C4'-P energy: -122.393
bonds (distance) P-C4' energy: -116.412
flat angles C4'-P-C4' energy: -132.446
flat angles P-C4'-P energy: -84.418
tors. eta vs tors. theta energy: -125.636
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: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2796.515306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.515306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.148244 (E_RNA)
where:
Base-Base interactions energy: -1886.786
where: short stacking energy: -826.059
Base-Backbone interact. energy: -2.085
local terms energy: -909.277199
where:
bonds (distance) C4'-P energy: -174.164
bonds (distance) P-C4' energy: -176.412
flat angles C4'-P-C4' energy: -185.209
flat angles P-C4'-P energy: -124.188
tors. eta vs tors. theta energy: -249.304
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2636.543005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.543005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.176312 (E_RNA)
where:
Base-Base interactions energy: -1794.543
where: short stacking energy: -786.179
Base-Backbone interact. energy: -0.993
local terms energy: -842.639379
where:
bonds (distance) C4'-P energy: -153.226
bonds (distance) P-C4' energy: -164.931
flat angles C4'-P-C4' energy: -158.792
flat angles P-C4'-P energy: -137.324
tors. eta vs tors. theta energy: -228.366
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: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2582.360057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.360057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.849947 (E_RNA)
where:
Base-Base interactions energy: -1775.677
where: short stacking energy: -754.542
Base-Backbone interact. energy: -3.576
local terms energy: -804.596519
where:
bonds (distance) C4'-P energy: -149.563
bonds (distance) P-C4' energy: -154.942
flat angles C4'-P-C4' energy: -177.863
flat angles P-C4'-P energy: -107.262
tors. eta vs tors. theta energy: -214.967
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: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2468.073157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.073157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.824548 (E_RNA)
where:
Base-Base interactions energy: -1660.915
where: short stacking energy: -706.294
Base-Backbone interact. energy: -3.557
local terms energy: -806.352731
where:
bonds (distance) C4'-P energy: -155.322
bonds (distance) P-C4' energy: -161.745
flat angles C4'-P-C4' energy: -156.533
flat angles P-C4'-P energy: -113.634
tors. eta vs tors. theta energy: -219.118
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2265.764156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.764156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.369890 (E_RNA)
where:
Base-Base interactions energy: -1497.613
where: short stacking energy: -663.523
Base-Backbone interact. energy: -0.506
local terms energy: -769.251531
where:
bonds (distance) C4'-P energy: -133.113
bonds (distance) P-C4' energy: -160.108
flat angles C4'-P-C4' energy: -177.396
flat angles P-C4'-P energy: -99.088
tors. eta vs tors. theta energy: -199.547
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: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2187.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.987237 (E_RNA)
where:
Base-Base interactions energy: -1477.015
where: short stacking energy: -634.192
Base-Backbone interact. energy: 8.398
local terms energy: -721.369992
where:
bonds (distance) C4'-P energy: -121.176
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -162.980
flat angles P-C4'-P energy: -104.580
tors. eta vs tors. theta energy: -186.574
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: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2093.610269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.610269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.788931 (E_RNA)
where:
Base-Base interactions energy: -1440.005
where: short stacking energy: -615.610
Base-Backbone interact. energy: 1.343
local terms energy: -657.126966
where:
bonds (distance) C4'-P energy: -134.377
bonds (distance) P-C4' energy: -125.751
flat angles C4'-P-C4' energy: -154.417
flat angles P-C4'-P energy: -74.027
tors. eta vs tors. theta energy: -168.556
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: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2062.499718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.499718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.240008 (E_RNA)
where:
Base-Base interactions energy: -1359.057
where: short stacking energy: -582.364
Base-Backbone interact. energy: -1.849
local terms energy: -705.334088
where:
bonds (distance) C4'-P energy: -136.909
bonds (distance) P-C4' energy: -142.284
flat angles C4'-P-C4' energy: -158.206
flat angles P-C4'-P energy: -98.856
tors. eta vs tors. theta energy: -169.079
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -2031.199263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.199263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.057425 (E_RNA)
where:
Base-Base interactions energy: -1384.622
where: short stacking energy: -581.463
Base-Backbone interact. energy: -0.291
local terms energy: -648.144365
where:
bonds (distance) C4'-P energy: -146.679
bonds (distance) P-C4' energy: -140.939
flat angles C4'-P-C4' energy: -153.258
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -129.237
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1846.211506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.211506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.310143 (E_RNA)
where:
Base-Base interactions energy: -1269.149
where: short stacking energy: -551.526
Base-Backbone interact. energy: 1.665
local terms energy: -581.826272
where:
bonds (distance) C4'-P energy: -118.013
bonds (distance) P-C4' energy: -109.166
flat angles C4'-P-C4' energy: -123.817
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -154.429
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: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2756.416563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.416563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.453922 (E_RNA)
where:
Base-Base interactions energy: -1875.835
where: short stacking energy: -820.432
Base-Backbone interact. energy: 2.967
local terms energy: -885.586491
where:
bonds (distance) C4'-P energy: -164.998
bonds (distance) P-C4' energy: -153.496
flat angles C4'-P-C4' energy: -200.842
flat angles P-C4'-P energy: -128.194
tors. eta vs tors. theta energy: -238.057
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2658.750149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.750149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.185378 (E_RNA)
where:
Base-Base interactions energy: -1786.360
where: short stacking energy: -775.415
Base-Backbone interact. energy: 0.899
local terms energy: -874.724326
where:
bonds (distance) C4'-P energy: -163.445
bonds (distance) P-C4' energy: -160.034
flat angles C4'-P-C4' energy: -191.049
flat angles P-C4'-P energy: -121.323
tors. eta vs tors. theta energy: -238.873
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: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2551.291305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.291305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.737971 (E_RNA)
where:
Base-Base interactions energy: -1729.018
where: short stacking energy: -758.755
Base-Backbone interact. energy: -0.295
local terms energy: -824.424815
where:
bonds (distance) C4'-P energy: -149.251
bonds (distance) P-C4' energy: -159.807
flat angles C4'-P-C4' energy: -175.290
flat angles P-C4'-P energy: -108.592
tors. eta vs tors. theta energy: -231.486
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2472.209103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.209103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.192387 (E_RNA)
where:
Base-Base interactions energy: -1730.498
where: short stacking energy: -709.787
Base-Backbone interact. energy: -0.458
local terms energy: -743.235833
where:
bonds (distance) C4'-P energy: -152.862
bonds (distance) P-C4' energy: -143.693
flat angles C4'-P-C4' energy: -153.540
flat angles P-C4'-P energy: -101.030
tors. eta vs tors. theta energy: -192.112
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: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2279.895795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.895795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.971281 (E_RNA)
where:
Base-Base interactions energy: -1518.441
where: short stacking energy: -685.239
Base-Backbone interact. energy: 5.754
local terms energy: -769.284413
where:
bonds (distance) C4'-P energy: -138.440
bonds (distance) P-C4' energy: -152.985
flat angles C4'-P-C4' energy: -165.366
flat angles P-C4'-P energy: -119.103
tors. eta vs tors. theta energy: -193.390
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2163.744926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.744926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.391532 (E_RNA)
where:
Base-Base interactions energy: -1446.440
where: short stacking energy: -629.210
Base-Backbone interact. energy: 3.225
local terms energy: -723.175850
where:
bonds (distance) C4'-P energy: -142.923
bonds (distance) P-C4' energy: -144.869
flat angles C4'-P-C4' energy: -164.360
flat angles P-C4'-P energy: -102.965
tors. eta vs tors. theta energy: -168.060
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2101.991696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.991696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.640369 (E_RNA)
where:
Base-Base interactions energy: -1412.511
where: short stacking energy: -605.577
Base-Backbone interact. energy: -3.384
local terms energy: -688.745366
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -144.556
flat angles C4'-P-C4' energy: -157.987
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -161.445
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: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2035.906285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.906285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.186501 (E_RNA)
where:
Base-Base interactions energy: -1384.486
where: short stacking energy: -577.432
Base-Backbone interact. energy: -3.650
local terms energy: -651.050878
where:
bonds (distance) C4'-P energy: -135.922
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -135.403
flat angles P-C4'-P energy: -94.843
tors. eta vs tors. theta energy: -161.284
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1963.189144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.189144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.547485 (E_RNA)
where:
Base-Base interactions energy: -1342.753
where: short stacking energy: -583.636
Base-Backbone interact. energy: 3.749
local terms energy: -626.543373
where:
bonds (distance) C4'-P energy: -108.393
bonds (distance) P-C4' energy: -124.079
flat angles C4'-P-C4' energy: -144.307
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -149.876
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1866.202817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.202817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.912883 (E_RNA)
where:
Base-Base interactions energy: -1301.648
where: short stacking energy: -537.661
Base-Backbone interact. energy: 2.843
local terms energy: -570.108145
where:
bonds (distance) C4'-P energy: -106.257
bonds (distance) P-C4' energy: -122.315
flat angles C4'-P-C4' energy: -125.027
flat angles P-C4'-P energy: -82.484
tors. eta vs tors. theta energy: -134.026
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: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2732.650458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.650458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.176187 (E_RNA)
where:
Base-Base interactions energy: -1882.876
where: short stacking energy: -819.073
Base-Backbone interact. energy: -2.047
local terms energy: -851.252376
where:
bonds (distance) C4'-P energy: -160.482
bonds (distance) P-C4' energy: -161.119
flat angles C4'-P-C4' energy: -191.411
flat angles P-C4'-P energy: -115.102
tors. eta vs tors. theta energy: -223.138
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2667.506327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.506327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.167990 (E_RNA)
where:
Base-Base interactions energy: -1835.402
where: short stacking energy: -796.594
Base-Backbone interact. energy: -2.359
local terms energy: -832.407204
where:
bonds (distance) C4'-P energy: -146.828
bonds (distance) P-C4' energy: -159.933
flat angles C4'-P-C4' energy: -177.254
flat angles P-C4'-P energy: -109.641
tors. eta vs tors. theta energy: -238.752
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2553.924345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.924345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.142449 (E_RNA)
where:
Base-Base interactions energy: -1714.719
where: short stacking energy: -756.515
Base-Backbone interact. energy: 0.478
local terms energy: -842.902122
where:
bonds (distance) C4'-P energy: -150.420
bonds (distance) P-C4' energy: -160.500
flat angles C4'-P-C4' energy: -181.917
flat angles P-C4'-P energy: -117.751
tors. eta vs tors. theta energy: -232.314
Dist. restrs. and SS energy: 3.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2474.526476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.526476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.526997 (E_RNA)
where:
Base-Base interactions energy: -1670.203
where: short stacking energy: -699.620
Base-Backbone interact. energy: -4.405
local terms energy: -801.918831
where:
bonds (distance) C4'-P energy: -164.606
bonds (distance) P-C4' energy: -149.511
flat angles C4'-P-C4' energy: -164.568
flat angles P-C4'-P energy: -121.299
tors. eta vs tors. theta energy: -201.934
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: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2350.680112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.680112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.240678 (E_RNA)
where:
Base-Base interactions energy: -1584.692
where: short stacking energy: -704.428
Base-Backbone interact. energy: -3.592
local terms energy: -765.956708
where:
bonds (distance) C4'-P energy: -138.089
bonds (distance) P-C4' energy: -134.899
flat angles C4'-P-C4' energy: -178.554
flat angles P-C4'-P energy: -109.622
tors. eta vs tors. theta energy: -204.792
Dist. restrs. and SS energy: 3.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2206.749525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.749525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.997871 (E_RNA)
where:
Base-Base interactions energy: -1498.577
where: short stacking energy: -659.487
Base-Backbone interact. energy: 1.259
local terms energy: -711.679835
where:
bonds (distance) C4'-P energy: -129.324
bonds (distance) P-C4' energy: -144.084
flat angles C4'-P-C4' energy: -144.391
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -187.589
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: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2132.226933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.226933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.754629 (E_RNA)
where:
Base-Base interactions energy: -1440.703
where: short stacking energy: -605.765
Base-Backbone interact. energy: 11.765
local terms energy: -704.816703
where:
bonds (distance) C4'-P energy: -141.356
bonds (distance) P-C4' energy: -138.118
flat angles C4'-P-C4' energy: -156.328
flat angles P-C4'-P energy: -94.450
tors. eta vs tors. theta energy: -174.565
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: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2003.311754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.311754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.539779 (E_RNA)
where:
Base-Base interactions energy: -1379.457
where: short stacking energy: -581.023
Base-Backbone interact. energy: -1.176
local terms energy: -624.907517
where:
bonds (distance) C4'-P energy: -128.259
bonds (distance) P-C4' energy: -128.749
flat angles C4'-P-C4' energy: -138.155
flat angles P-C4'-P energy: -81.316
tors. eta vs tors. theta energy: -148.429
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1958.730138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.730138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.502085 (E_RNA)
where:
Base-Base interactions energy: -1304.472
where: short stacking energy: -528.575
Base-Backbone interact. energy: -1.332
local terms energy: -656.698176
where:
bonds (distance) C4'-P energy: -136.277
bonds (distance) P-C4' energy: -149.643
flat angles C4'-P-C4' energy: -155.806
flat angles P-C4'-P energy: -89.970
tors. eta vs tors. theta energy: -125.002
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1839.082169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.082169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.649840 (E_RNA)
where:
Base-Base interactions energy: -1254.381
where: short stacking energy: -513.695
Base-Backbone interact. energy: -0.981
local terms energy: -587.288342
where:
bonds (distance) C4'-P energy: -112.620
bonds (distance) P-C4' energy: -135.431
flat angles C4'-P-C4' energy: -133.895
flat angles P-C4'-P energy: -70.895
tors. eta vs tors. theta energy: -134.447
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2745.022692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.022692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.396950 (E_RNA)
where:
Base-Base interactions energy: -1876.333
where: short stacking energy: -812.200
Base-Backbone interact. energy: -1.298
local terms energy: -868.766153
where:
bonds (distance) C4'-P energy: -157.064
bonds (distance) P-C4' energy: -160.288
flat angles C4'-P-C4' energy: -186.372
flat angles P-C4'-P energy: -121.488
tors. eta vs tors. theta energy: -243.554
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: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2675.968142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.968142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.029090 (E_RNA)
where:
Base-Base interactions energy: -1822.233
where: short stacking energy: -814.454
Base-Backbone interact. energy: -2.530
local terms energy: -853.266213
where:
bonds (distance) C4'-P energy: -144.994
bonds (distance) P-C4' energy: -156.567
flat angles C4'-P-C4' energy: -179.328
flat angles P-C4'-P energy: -123.435
tors. eta vs tors. theta energy: -248.942
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2556.382851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.382851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.921027 (E_RNA)
where:
Base-Base interactions energy: -1720.676
where: short stacking energy: -753.049
Base-Backbone interact. energy: -2.333
local terms energy: -834.912307
where:
bonds (distance) C4'-P energy: -155.566
bonds (distance) P-C4' energy: -153.659
flat angles C4'-P-C4' energy: -188.217
flat angles P-C4'-P energy: -109.603
tors. eta vs tors. theta energy: -227.868
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2487.453427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.453427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.345490 (E_RNA)
where:
Base-Base interactions energy: -1700.438
where: short stacking energy: -732.990
Base-Backbone interact. energy: -1.461
local terms energy: -787.446917
where:
bonds (distance) C4'-P energy: -127.499
bonds (distance) P-C4' energy: -165.118
flat angles C4'-P-C4' energy: -166.772
flat angles P-C4'-P energy: -110.904
tors. eta vs tors. theta energy: -217.154
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2251.775599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.775599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.449966 (E_RNA)
where:
Base-Base interactions energy: -1511.285
where: short stacking energy: -656.884
Base-Backbone interact. energy: -2.823
local terms energy: -739.341381
where:
bonds (distance) C4'-P energy: -145.438
bonds (distance) P-C4' energy: -148.489
flat angles C4'-P-C4' energy: -162.268
flat angles P-C4'-P energy: -105.988
tors. eta vs tors. theta energy: -177.158
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2158.378282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.378282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.523080 (E_RNA)
where:
Base-Base interactions energy: -1468.986
where: short stacking energy: -606.584
Base-Backbone interact. energy: 2.418
local terms energy: -693.955036
where:
bonds (distance) C4'-P energy: -132.185
bonds (distance) P-C4' energy: -155.470
flat angles C4'-P-C4' energy: -153.105
flat angles P-C4'-P energy: -84.479
tors. eta vs tors. theta energy: -168.716
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2137.804774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.804774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.364179 (E_RNA)
where:
Base-Base interactions energy: -1477.299
where: short stacking energy: -629.853
Base-Backbone interact. energy: -1.720
local terms energy: -661.344900
where:
bonds (distance) C4'-P energy: -133.457
bonds (distance) P-C4' energy: -127.424
flat angles C4'-P-C4' energy: -154.757
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -172.017
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1978.051561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.051561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.119578 (E_RNA)
where:
Base-Base interactions energy: -1343.479
where: short stacking energy: -567.332
Base-Backbone interact. energy: -3.100
local terms energy: -634.540959
where:
bonds (distance) C4'-P energy: -135.954
bonds (distance) P-C4' energy: -143.835
flat angles C4'-P-C4' energy: -135.859
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -135.943
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: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1936.494278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.494278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.469270 (E_RNA)
where:
Base-Base interactions energy: -1308.691
where: short stacking energy: -527.142
Base-Backbone interact. energy: -0.679
local terms energy: -631.098547
where:
bonds (distance) C4'-P energy: -142.802
bonds (distance) P-C4' energy: -142.945
flat angles C4'-P-C4' energy: -135.436
flat angles P-C4'-P energy: -71.402
tors. eta vs tors. theta energy: -138.514
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1787.857671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.857671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.599653 (E_RNA)
where:
Base-Base interactions energy: -1230.097
where: short stacking energy: -506.956
Base-Backbone interact. energy: -4.423
local terms energy: -558.079961
where:
bonds (distance) C4'-P energy: -132.318
bonds (distance) P-C4' energy: -103.805
flat angles C4'-P-C4' energy: -142.457
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -116.519
Dist. restrs. and SS energy: 4.742 (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: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2776.211690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.211690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.199880 (E_RNA)
where:
Base-Base interactions energy: -1917.723
where: short stacking energy: -823.140
Base-Backbone interact. energy: -3.461
local terms energy: -856.015479
where:
bonds (distance) C4'-P energy: -151.795
bonds (distance) P-C4' energy: -167.509
flat angles C4'-P-C4' energy: -183.517
flat angles P-C4'-P energy: -120.635
tors. eta vs tors. theta energy: -232.560
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2688.269385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.269385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.769546 (E_RNA)
where:
Base-Base interactions energy: -1824.039
where: short stacking energy: -787.578
Base-Backbone interact. energy: -3.363
local terms energy: -863.367523
where:
bonds (distance) C4'-P energy: -160.851
bonds (distance) P-C4' energy: -162.205
flat angles C4'-P-C4' energy: -178.586
flat angles P-C4'-P energy: -125.626
tors. eta vs tors. theta energy: -236.099
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: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2533.438263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.438263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.672675 (E_RNA)
where:
Base-Base interactions energy: -1739.903
where: short stacking energy: -768.932
Base-Backbone interact. energy: -0.273
local terms energy: -794.496929
where:
bonds (distance) C4'-P energy: -143.917
bonds (distance) P-C4' energy: -138.749
flat angles C4'-P-C4' energy: -179.472
flat angles P-C4'-P energy: -108.618
tors. eta vs tors. theta energy: -223.741
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: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2448.217991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.217991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.961416 (E_RNA)
where:
Base-Base interactions energy: -1702.020
where: short stacking energy: -727.798
Base-Backbone interact. energy: 0.187
local terms energy: -749.128002
where:
bonds (distance) C4'-P energy: -118.859
bonds (distance) P-C4' energy: -146.765
flat angles C4'-P-C4' energy: -173.858
flat angles P-C4'-P energy: -106.813
tors. eta vs tors. theta energy: -202.833
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: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2243.246927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.246927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.104807 (E_RNA)
where:
Base-Base interactions energy: -1498.102
where: short stacking energy: -668.152
Base-Backbone interact. energy: 0.129
local terms energy: -748.131940
where:
bonds (distance) C4'-P energy: -142.701
bonds (distance) P-C4' energy: -156.664
flat angles C4'-P-C4' energy: -167.371
flat angles P-C4'-P energy: -102.611
tors. eta vs tors. theta energy: -178.785
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2230.356829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.356829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.519099 (E_RNA)
where:
Base-Base interactions energy: -1504.819
where: short stacking energy: -630.270
Base-Backbone interact. energy: -0.771
local terms energy: -726.928465
where:
bonds (distance) C4'-P energy: -140.613
bonds (distance) P-C4' energy: -151.841
flat angles C4'-P-C4' energy: -156.252
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -171.759
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2074.257427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.257427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.570680 (E_RNA)
where:
Base-Base interactions energy: -1382.000
where: short stacking energy: -588.028
Base-Backbone interact. energy: 12.171
local terms energy: -706.741740
where:
bonds (distance) C4'-P energy: -146.531
bonds (distance) P-C4' energy: -158.613
flat angles C4'-P-C4' energy: -154.117
flat angles P-C4'-P energy: -92.611
tors. eta vs tors. theta energy: -154.870
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1971.305869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.305869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.128102 (E_RNA)
where:
Base-Base interactions energy: -1319.465
where: short stacking energy: -541.284
Base-Backbone interact. energy: -0.774
local terms energy: -653.889266
where:
bonds (distance) C4'-P energy: -149.812
bonds (distance) P-C4' energy: -142.357
flat angles C4'-P-C4' energy: -148.409
flat angles P-C4'-P energy: -72.473
tors. eta vs tors. theta energy: -140.839
Dist. restrs. and SS energy: 2.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -2005.004991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.004991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.270939 (E_RNA)
where:
Base-Base interactions energy: -1335.977
where: short stacking energy: -554.260
Base-Backbone interact. energy: 0.021
local terms energy: -672.314820
where:
bonds (distance) C4'-P energy: -140.378
bonds (distance) P-C4' energy: -137.868
flat angles C4'-P-C4' energy: -152.703
flat angles P-C4'-P energy: -90.031
tors. eta vs tors. theta energy: -151.335
Dist. restrs. and SS energy: 3.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1803.668145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.668145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.922724 (E_RNA)
where:
Base-Base interactions energy: -1233.724
where: short stacking energy: -506.385
Base-Backbone interact. energy: 3.794
local terms energy: -576.992532
where:
bonds (distance) C4'-P energy: -121.499
bonds (distance) P-C4' energy: -122.114
flat angles C4'-P-C4' energy: -136.000
flat angles P-C4'-P energy: -75.865
tors. eta vs tors. theta energy: -121.515
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2772.020717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.020717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.860249 (E_RNA)
where:
Base-Base interactions energy: -1898.371
where: short stacking energy: -834.592
Base-Backbone interact. energy: -1.385
local terms energy: -874.103931
where:
bonds (distance) C4'-P energy: -152.570
bonds (distance) P-C4' energy: -166.402
flat angles C4'-P-C4' energy: -192.818
flat angles P-C4'-P energy: -126.809
tors. eta vs tors. theta energy: -235.504
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2684.291511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.291511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.990326 (E_RNA)
where:
Base-Base interactions energy: -1821.380
where: short stacking energy: -825.457
Base-Backbone interact. energy: -2.041
local terms energy: -863.569771
where:
bonds (distance) C4'-P energy: -172.225
bonds (distance) P-C4' energy: -156.768
flat angles C4'-P-C4' energy: -184.270
flat angles P-C4'-P energy: -118.267
tors. eta vs tors. theta energy: -232.040
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: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2578.760689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.760689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.316561 (E_RNA)
where:
Base-Base interactions energy: -1784.277
where: short stacking energy: -771.746
Base-Backbone interact. energy: -2.472
local terms energy: -794.567837
where:
bonds (distance) C4'-P energy: -154.806
bonds (distance) P-C4' energy: -138.366
flat angles C4'-P-C4' energy: -158.347
flat angles P-C4'-P energy: -113.041
tors. eta vs tors. theta energy: -230.008
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2457.442708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.442708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.075781 (E_RNA)
where:
Base-Base interactions energy: -1677.666
where: short stacking energy: -706.752
Base-Backbone interact. energy: 2.367
local terms energy: -783.777010
where:
bonds (distance) C4'-P energy: -137.464
bonds (distance) P-C4' energy: -146.077
flat angles C4'-P-C4' energy: -167.652
flat angles P-C4'-P energy: -119.943
tors. eta vs tors. theta energy: -212.640
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: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2298.049242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.049242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.189696 (E_RNA)
where:
Base-Base interactions energy: -1548.649
where: short stacking energy: -670.854
Base-Backbone interact. energy: -2.258
local terms energy: -749.282447
where:
bonds (distance) C4'-P energy: -153.456
bonds (distance) P-C4' energy: -148.752
flat angles C4'-P-C4' energy: -175.541
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -181.159
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2208.929767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.929767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.431390 (E_RNA)
where:
Base-Base interactions energy: -1497.613
where: short stacking energy: -678.990
Base-Backbone interact. energy: -2.675
local terms energy: -711.144353
where:
bonds (distance) C4'-P energy: -140.274
bonds (distance) P-C4' energy: -127.922
flat angles C4'-P-C4' energy: -165.169
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -186.639
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: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2051.017960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.017960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.429225 (E_RNA)
where:
Base-Base interactions energy: -1368.596
where: short stacking energy: -560.766
Base-Backbone interact. energy: -0.996
local terms energy: -687.837715
where:
bonds (distance) C4'-P energy: -143.832
bonds (distance) P-C4' energy: -138.330
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -94.894
tors. eta vs tors. theta energy: -153.709
Dist. restrs. and SS energy: 6.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2041.805691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.805691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.321214 (E_RNA)
where:
Base-Base interactions energy: -1346.155
where: short stacking energy: -583.586
Base-Backbone interact. energy: -0.606
local terms energy: -697.560509
where:
bonds (distance) C4'-P energy: -131.070
bonds (distance) P-C4' energy: -139.618
flat angles C4'-P-C4' energy: -166.625
flat angles P-C4'-P energy: -111.056
tors. eta vs tors. theta energy: -149.192
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1959.470354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.470354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.926193 (E_RNA)
where:
Base-Base interactions energy: -1325.625
where: short stacking energy: -552.199
Base-Backbone interact. energy: -0.559
local terms energy: -635.741758
where:
bonds (distance) C4'-P energy: -136.073
bonds (distance) P-C4' energy: -124.708
flat angles C4'-P-C4' energy: -137.037
flat angles P-C4'-P energy: -89.827
tors. eta vs tors. theta energy: -148.097
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1847.005867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.005867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.034492 (E_RNA)
where:
Base-Base interactions energy: -1262.157
where: short stacking energy: -544.710
Base-Backbone interact. energy: 8.215
local terms energy: -596.092100
where:
bonds (distance) C4'-P energy: -126.793
bonds (distance) P-C4' energy: -116.301
flat angles C4'-P-C4' energy: -126.398
flat angles P-C4'-P energy: -89.655
tors. eta vs tors. theta energy: -136.945
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: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2789.070745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.070745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.946963 (E_RNA)
where:
Base-Base interactions energy: -1900.366
where: short stacking energy: -831.787
Base-Backbone interact. energy: 1.448
local terms energy: -891.029595
where:
bonds (distance) C4'-P energy: -163.667
bonds (distance) P-C4' energy: -177.316
flat angles C4'-P-C4' energy: -186.517
flat angles P-C4'-P energy: -121.826
tors. eta vs tors. theta energy: -241.704
Dist. restrs. and SS energy: 0.876 (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: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2676.605511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.605511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.889581 (E_RNA)
where:
Base-Base interactions energy: -1850.609
where: short stacking energy: -820.489
Base-Backbone interact. energy: 1.503
local terms energy: -830.783884
where:
bonds (distance) C4'-P energy: -138.297
bonds (distance) P-C4' energy: -168.840
flat angles C4'-P-C4' energy: -168.849
flat angles P-C4'-P energy: -116.975
tors. eta vs tors. theta energy: -237.823
Dist. restrs. and SS energy: 3.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2522.955595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.955595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.961854 (E_RNA)
where:
Base-Base interactions energy: -1699.628
where: short stacking energy: -750.490
Base-Backbone interact. energy: -2.622
local terms energy: -822.711381
where:
bonds (distance) C4'-P energy: -162.888
bonds (distance) P-C4' energy: -160.113
flat angles C4'-P-C4' energy: -174.185
flat angles P-C4'-P energy: -108.227
tors. eta vs tors. theta energy: -217.298
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: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2485.481671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.481671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.951595 (E_RNA)
where:
Base-Base interactions energy: -1681.537
where: short stacking energy: -698.386
Base-Backbone interact. energy: -0.268
local terms energy: -806.145890
where:
bonds (distance) C4'-P energy: -158.812
bonds (distance) P-C4' energy: -156.943
flat angles C4'-P-C4' energy: -164.879
flat angles P-C4'-P energy: -130.060
tors. eta vs tors. theta energy: -195.452
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: 83
Temperature: 1.100000
Total energy: -2284.908853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.908853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.948324 (E_RNA)
where:
Base-Base interactions energy: -1535.108
where: short stacking energy: -656.327
Base-Backbone interact. energy: -4.310
local terms energy: -748.530998
where:
bonds (distance) C4'-P energy: -153.747
bonds (distance) P-C4' energy: -151.976
flat angles C4'-P-C4' energy: -164.486
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -185.549
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2154.708475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.708475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.223639 (E_RNA)
where:
Base-Base interactions energy: -1424.594
where: short stacking energy: -611.539
Base-Backbone interact. energy: -0.470
local terms energy: -733.159275
where:
bonds (distance) C4'-P energy: -146.604
bonds (distance) P-C4' energy: -144.276
flat angles C4'-P-C4' energy: -170.574
flat angles P-C4'-P energy: -97.274
tors. eta vs tors. theta energy: -174.432
Dist. restrs. and SS energy: 3.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2105.020978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.020978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.036736 (E_RNA)
where:
Base-Base interactions energy: -1414.054
where: short stacking energy: -603.375
Base-Backbone interact. energy: -3.183
local terms energy: -690.800124
where:
bonds (distance) C4'-P energy: -132.439
bonds (distance) P-C4' energy: -145.288
flat angles C4'-P-C4' energy: -151.784
flat angles P-C4'-P energy: -101.567
tors. eta vs tors. theta energy: -159.722
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: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2032.119074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.119074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.151283 (E_RNA)
where:
Base-Base interactions energy: -1368.666
where: short stacking energy: -596.891
Base-Backbone interact. energy: 0.802
local terms energy: -667.288054
where:
bonds (distance) C4'-P energy: -125.529
bonds (distance) P-C4' energy: -140.878
flat angles C4'-P-C4' energy: -155.082
flat angles P-C4'-P energy: -97.977
tors. eta vs tors. theta energy: -147.822
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1944.816663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.816663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.982930 (E_RNA)
where:
Base-Base interactions energy: -1333.479
where: short stacking energy: -576.878
Base-Backbone interact. energy: 2.491
local terms energy: -617.994731
where:
bonds (distance) C4'-P energy: -115.069
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -150.336
flat angles P-C4'-P energy: -92.476
tors. eta vs tors. theta energy: -146.725
Dist. restrs. and SS energy: 4.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1828.362522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.362522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.601002 (E_RNA)
where:
Base-Base interactions energy: -1254.246
where: short stacking energy: -503.855
Base-Backbone interact. energy: 0.673
local terms energy: -577.028279
where:
bonds (distance) C4'-P energy: -125.694
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -134.846
flat angles P-C4'-P energy: -74.149
tors. eta vs tors. theta energy: -128.755
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: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2758.904155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.904155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.783608 (E_RNA)
where:
Base-Base interactions energy: -1901.094
where: short stacking energy: -816.890
Base-Backbone interact. energy: -5.357
local terms energy: -853.332792
where:
bonds (distance) C4'-P energy: -148.803
bonds (distance) P-C4' energy: -155.518
flat angles C4'-P-C4' energy: -193.987
flat angles P-C4'-P energy: -121.927
tors. eta vs tors. theta energy: -233.097
Dist. restrs. and SS energy: 0.879 (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: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2669.974730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.974730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.753992 (E_RNA)
where:
Base-Base interactions energy: -1819.846
where: short stacking energy: -785.292
Base-Backbone interact. energy: -1.604
local terms energy: -849.303672
where:
bonds (distance) C4'-P energy: -174.113
bonds (distance) P-C4' energy: -158.748
flat angles C4'-P-C4' energy: -178.392
flat angles P-C4'-P energy: -113.501
tors. eta vs tors. theta energy: -224.550
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2559.164429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.164429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.463905 (E_RNA)
where:
Base-Base interactions energy: -1735.463
where: short stacking energy: -735.576
Base-Backbone interact. energy: 0.823
local terms energy: -825.824058
where:
bonds (distance) C4'-P energy: -153.353
bonds (distance) P-C4' energy: -169.368
flat angles C4'-P-C4' energy: -186.710
flat angles P-C4'-P energy: -107.017
tors. eta vs tors. theta energy: -209.377
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: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2442.021310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.021310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.425328 (E_RNA)
where:
Base-Base interactions energy: -1673.342
where: short stacking energy: -736.891
Base-Backbone interact. energy: 0.192
local terms energy: -770.275136
where:
bonds (distance) C4'-P energy: -142.001
bonds (distance) P-C4' energy: -145.789
flat angles C4'-P-C4' energy: -164.733
flat angles P-C4'-P energy: -112.286
tors. eta vs tors. theta energy: -205.467
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: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2251.495954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.495954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.589504 (E_RNA)
where:
Base-Base interactions energy: -1511.023
where: short stacking energy: -662.017
Base-Backbone interact. energy: 0.125
local terms energy: -743.692041
where:
bonds (distance) C4'-P energy: -132.595
bonds (distance) P-C4' energy: -160.844
flat angles C4'-P-C4' energy: -164.267
flat angles P-C4'-P energy: -90.785
tors. eta vs tors. theta energy: -195.201
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2170.456678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.456678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.200413 (E_RNA)
where:
Base-Base interactions energy: -1458.148
where: short stacking energy: -613.892
Base-Backbone interact. energy: -5.976
local terms energy: -708.076466
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -138.624
flat angles C4'-P-C4' energy: -159.166
flat angles P-C4'-P energy: -105.329
tors. eta vs tors. theta energy: -164.907
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2099.779015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.779015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.549933 (E_RNA)
where:
Base-Base interactions energy: -1403.631
where: short stacking energy: -608.162
Base-Backbone interact. energy: -3.074
local terms energy: -695.844273
where:
bonds (distance) C4'-P energy: -147.920
bonds (distance) P-C4' energy: -131.237
flat angles C4'-P-C4' energy: -159.104
flat angles P-C4'-P energy: -100.660
tors. eta vs tors. theta energy: -156.923
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2031.702352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.702352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.963288 (E_RNA)
where:
Base-Base interactions energy: -1393.107
where: short stacking energy: -604.290
Base-Backbone interact. energy: 2.660
local terms energy: -645.516197
where:
bonds (distance) C4'-P energy: -128.972
bonds (distance) P-C4' energy: -132.094
flat angles C4'-P-C4' energy: -153.346
flat angles P-C4'-P energy: -89.440
tors. eta vs tors. theta energy: -141.664
Dist. restrs. and SS energy: 4.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1905.158175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.158175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.177624 (E_RNA)
where:
Base-Base interactions energy: -1298.435
where: short stacking energy: -535.955
Base-Backbone interact. energy: -3.041
local terms energy: -606.701733
where:
bonds (distance) C4'-P energy: -125.925
bonds (distance) P-C4' energy: -133.772
flat angles C4'-P-C4' energy: -142.528
flat angles P-C4'-P energy: -70.817
tors. eta vs tors. theta energy: -133.660
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1842.486254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.486254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.615332 (E_RNA)
where:
Base-Base interactions energy: -1255.545
where: short stacking energy: -516.877
Base-Backbone interact. energy: 0.765
local terms energy: -590.835290
where:
bonds (distance) C4'-P energy: -117.823
bonds (distance) P-C4' energy: -127.992
flat angles C4'-P-C4' energy: -132.240
flat angles P-C4'-P energy: -83.701
tors. eta vs tors. theta energy: -129.080
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: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2730.814658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.814658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.760312 (E_RNA)
where:
Base-Base interactions energy: -1859.318
where: short stacking energy: -816.070
Base-Backbone interact. energy: -1.478
local terms energy: -870.964001
where:
bonds (distance) C4'-P energy: -163.040
bonds (distance) P-C4' energy: -160.177
flat angles C4'-P-C4' energy: -192.378
flat angles P-C4'-P energy: -116.310
tors. eta vs tors. theta energy: -239.059
Dist. restrs. and SS energy: 0.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2675.172958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.172958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.417073 (E_RNA)
where:
Base-Base interactions energy: -1821.988
where: short stacking energy: -774.044
Base-Backbone interact. energy: -2.961
local terms energy: -851.468453
where:
bonds (distance) C4'-P energy: -153.367
bonds (distance) P-C4' energy: -159.401
flat angles C4'-P-C4' energy: -176.815
flat angles P-C4'-P energy: -118.420
tors. eta vs tors. theta energy: -243.465
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: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2538.941158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.941158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.814394 (E_RNA)
where:
Base-Base interactions energy: -1708.470
where: short stacking energy: -734.179
Base-Backbone interact. energy: -3.160
local terms energy: -829.184431
where:
bonds (distance) C4'-P energy: -162.950
bonds (distance) P-C4' energy: -171.092
flat angles C4'-P-C4' energy: -162.969
flat angles P-C4'-P energy: -129.397
tors. eta vs tors. theta energy: -202.776
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: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2442.352722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.352722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.195933 (E_RNA)
where:
Base-Base interactions energy: -1647.527
where: short stacking energy: -716.000
Base-Backbone interact. energy: -2.558
local terms energy: -794.110561
where:
bonds (distance) C4'-P energy: -159.212
bonds (distance) P-C4' energy: -131.452
flat angles C4'-P-C4' energy: -170.993
flat angles P-C4'-P energy: -126.577
tors. eta vs tors. theta energy: -205.877
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: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2263.030914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.030914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.857145 (E_RNA)
where:
Base-Base interactions energy: -1494.923
where: short stacking energy: -685.483
Base-Backbone interact. energy: -1.888
local terms energy: -768.046443
where:
bonds (distance) C4'-P energy: -144.901
bonds (distance) P-C4' energy: -151.844
flat angles C4'-P-C4' energy: -173.728
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -199.666
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2157.044062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.044062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.890485 (E_RNA)
where:
Base-Base interactions energy: -1436.198
where: short stacking energy: -634.800
Base-Backbone interact. energy: -0.460
local terms energy: -723.232289
where:
bonds (distance) C4'-P energy: -145.952
bonds (distance) P-C4' energy: -148.631
flat angles C4'-P-C4' energy: -148.321
flat angles P-C4'-P energy: -104.711
tors. eta vs tors. theta energy: -175.617
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2117.602499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.602499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.546256 (E_RNA)
where:
Base-Base interactions energy: -1411.845
where: short stacking energy: -605.636
Base-Backbone interact. energy: -3.048
local terms energy: -704.653434
where:
bonds (distance) C4'-P energy: -139.484
bonds (distance) P-C4' energy: -141.746
flat angles C4'-P-C4' energy: -157.790
flat angles P-C4'-P energy: -107.304
tors. eta vs tors. theta energy: -158.330
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: 8, replica: 3
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2010.671182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.671182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.877428 (E_RNA)
where:
Base-Base interactions energy: -1351.069
where: short stacking energy: -590.111
Base-Backbone interact. energy: -1.869
local terms energy: -660.938863
where:
bonds (distance) C4'-P energy: -122.590
bonds (distance) P-C4' energy: -145.151
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -93.213
tors. eta vs tors. theta energy: -148.477
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: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1947.425280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.425280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.277572 (E_RNA)
where:
Base-Base interactions energy: -1329.489
where: short stacking energy: -562.564
Base-Backbone interact. energy: 10.615
local terms energy: -630.403175
where:
bonds (distance) C4'-P energy: -148.822
bonds (distance) P-C4' energy: -144.200
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -83.092
tors. eta vs tors. theta energy: -128.735
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: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1864.285285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.285285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.802742 (E_RNA)
where:
Base-Base interactions energy: -1251.524
where: short stacking energy: -506.450
Base-Backbone interact. energy: -1.522
local terms energy: -617.756775
where:
bonds (distance) C4'-P energy: -112.934
bonds (distance) P-C4' energy: -131.187
flat angles C4'-P-C4' energy: -149.661
flat angles P-C4'-P energy: -91.834
tors. eta vs tors. theta energy: -132.142
Dist. restrs. and SS energy: 6.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2711.194907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.194907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.450702 (E_RNA)
where:
Base-Base interactions energy: -1855.253
where: short stacking energy: -793.307
Base-Backbone interact. energy: -2.464
local terms energy: -855.733731
where:
bonds (distance) C4'-P energy: -165.065
bonds (distance) P-C4' energy: -169.774
flat angles C4'-P-C4' energy: -175.810
flat angles P-C4'-P energy: -115.966
tors. eta vs tors. theta energy: -229.118
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: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2658.165139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.165139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.156963 (E_RNA)
where:
Base-Base interactions energy: -1808.537
where: short stacking energy: -775.674
Base-Backbone interact. energy: -3.129
local terms energy: -848.491222
where:
bonds (distance) C4'-P energy: -161.697
bonds (distance) P-C4' energy: -158.434
flat angles C4'-P-C4' energy: -178.673
flat angles P-C4'-P energy: -115.268
tors. eta vs tors. theta energy: -234.419
Dist. restrs. and SS energy: 1.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2549.668424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.668424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.188610 (E_RNA)
where:
Base-Base interactions energy: -1712.243
where: short stacking energy: -754.998
Base-Backbone interact. energy: -2.558
local terms energy: -836.388179
where:
bonds (distance) C4'-P energy: -156.040
bonds (distance) P-C4' energy: -158.500
flat angles C4'-P-C4' energy: -187.255
flat angles P-C4'-P energy: -113.137
tors. eta vs tors. theta energy: -221.456
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2448.979600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.979600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.761389 (E_RNA)
where:
Base-Base interactions energy: -1699.565
where: short stacking energy: -727.925
Base-Backbone interact. energy: -4.626
local terms energy: -747.571050
where:
bonds (distance) C4'-P energy: -130.613
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -164.348
flat angles P-C4'-P energy: -100.135
tors. eta vs tors. theta energy: -208.106
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2212.900998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.900998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.682088 (E_RNA)
where:
Base-Base interactions energy: -1505.750
where: short stacking energy: -657.233
Base-Backbone interact. energy: -2.136
local terms energy: -707.796325
where:
bonds (distance) C4'-P energy: -114.628
bonds (distance) P-C4' energy: -164.467
flat angles C4'-P-C4' energy: -157.618
flat angles P-C4'-P energy: -100.502
tors. eta vs tors. theta energy: -170.581
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2162.309977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.309977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.549664 (E_RNA)
where:
Base-Base interactions energy: -1449.758
where: short stacking energy: -618.899
Base-Backbone interact. energy: 0.603
local terms energy: -715.395040
where:
bonds (distance) C4'-P energy: -120.934
bonds (distance) P-C4' energy: -151.767
flat angles C4'-P-C4' energy: -161.663
flat angles P-C4'-P energy: -107.098
tors. eta vs tors. theta energy: -173.933
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: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2116.164139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.164139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.512680 (E_RNA)
where:
Base-Base interactions energy: -1425.278
where: short stacking energy: -606.721
Base-Backbone interact. energy: -2.242
local terms energy: -690.992764
where:
bonds (distance) C4'-P energy: -131.565
bonds (distance) P-C4' energy: -135.516
flat angles C4'-P-C4' energy: -146.197
flat angles P-C4'-P energy: -104.345
tors. eta vs tors. theta energy: -173.370
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1978.259310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.259310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.664617 (E_RNA)
where:
Base-Base interactions energy: -1365.006
where: short stacking energy: -575.279
Base-Backbone interact. energy: -2.252
local terms energy: -613.406544
where:
bonds (distance) C4'-P energy: -109.449
bonds (distance) P-C4' energy: -144.036
flat angles C4'-P-C4' energy: -144.104
flat angles P-C4'-P energy: -67.422
tors. eta vs tors. theta energy: -148.396
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: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1887.001872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.001872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.986589 (E_RNA)
where:
Base-Base interactions energy: -1235.307
where: short stacking energy: -499.959
Base-Backbone interact. energy: 0.861
local terms energy: -656.540842
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -161.040
flat angles C4'-P-C4' energy: -150.910
flat angles P-C4'-P energy: -93.564
tors. eta vs tors. theta energy: -124.505
Dist. restrs. and SS energy: 3.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1852.874733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.874733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.307163 (E_RNA)
where:
Base-Base interactions energy: -1274.216
where: short stacking energy: -527.163
Base-Backbone interact. energy: -3.109
local terms energy: -578.982610
where:
bonds (distance) C4'-P energy: -103.018
bonds (distance) P-C4' energy: -115.975
flat angles C4'-P-C4' energy: -124.648
flat angles P-C4'-P energy: -92.442
tors. eta vs tors. theta energy: -142.899
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2718.060604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.047471 (E_RNA)
where:
Base-Base interactions energy: -1881.035
where: short stacking energy: -799.820
Base-Backbone interact. energy: -3.435
local terms energy: -834.577492
where:
bonds (distance) C4'-P energy: -147.167
bonds (distance) P-C4' energy: -165.751
flat angles C4'-P-C4' energy: -180.324
flat angles P-C4'-P energy: -122.580
tors. eta vs tors. theta energy: -218.756
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: 87
Temperature: 0.950000
Total energy: -2698.396282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.396282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.511597 (E_RNA)
where:
Base-Base interactions energy: -1852.422
where: short stacking energy: -803.278
Base-Backbone interact. energy: -1.065
local terms energy: -847.023755
where:
bonds (distance) C4'-P energy: -156.165
bonds (distance) P-C4' energy: -168.185
flat angles C4'-P-C4' energy: -179.521
flat angles P-C4'-P energy: -113.477
tors. eta vs tors. theta energy: -229.676
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2484.872825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.872825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.283840 (E_RNA)
where:
Base-Base interactions energy: -1669.732
where: short stacking energy: -756.380
Base-Backbone interact. energy: -3.954
local terms energy: -813.598552
where:
bonds (distance) C4'-P energy: -137.304
bonds (distance) P-C4' energy: -170.462
flat angles C4'-P-C4' energy: -174.359
flat angles P-C4'-P energy: -109.256
tors. eta vs tors. theta energy: -222.219
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2445.306211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.306211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.603433 (E_RNA)
where:
Base-Base interactions energy: -1655.879
where: short stacking energy: -736.178
Base-Backbone interact. energy: 1.029
local terms energy: -791.753269
where:
bonds (distance) C4'-P energy: -142.942
bonds (distance) P-C4' energy: -158.010
flat angles C4'-P-C4' energy: -179.876
flat angles P-C4'-P energy: -113.189
tors. eta vs tors. theta energy: -197.736
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: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2197.629903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.629903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.584480 (E_RNA)
where:
Base-Base interactions energy: -1453.092
where: short stacking energy: -637.159
Base-Backbone interact. energy: 2.007
local terms energy: -748.499281
where:
bonds (distance) C4'-P energy: -152.184
bonds (distance) P-C4' energy: -142.048
flat angles C4'-P-C4' energy: -161.364
flat angles P-C4'-P energy: -101.136
tors. eta vs tors. theta energy: -191.767
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2164.954061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.954061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.525581 (E_RNA)
where:
Base-Base interactions energy: -1431.140
where: short stacking energy: -628.609
Base-Backbone interact. energy: -1.126
local terms energy: -735.259613
where:
bonds (distance) C4'-P energy: -153.915
bonds (distance) P-C4' energy: -129.042
flat angles C4'-P-C4' energy: -168.557
flat angles P-C4'-P energy: -108.802
tors. eta vs tors. theta energy: -174.943
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2157.801578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.801578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.939306 (E_RNA)
where:
Base-Base interactions energy: -1483.432
where: short stacking energy: -633.831
Base-Backbone interact. energy: 3.850
local terms energy: -680.357116
where:
bonds (distance) C4'-P energy: -137.223
bonds (distance) P-C4' energy: -147.898
flat angles C4'-P-C4' energy: -139.980
flat angles P-C4'-P energy: -89.210
tors. eta vs tors. theta energy: -166.045
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: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2007.250309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.250309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.047131 (E_RNA)
where:
Base-Base interactions energy: -1354.041
where: short stacking energy: -577.867
Base-Backbone interact. energy: -0.073
local terms energy: -655.933541
where:
bonds (distance) C4'-P energy: -119.502
bonds (distance) P-C4' energy: -136.363
flat angles C4'-P-C4' energy: -154.617
flat angles P-C4'-P energy: -94.366
tors. eta vs tors. theta energy: -151.086
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: 87
Temperature: 1.300000
Total energy: -1939.508438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.508438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.480179 (E_RNA)
where:
Base-Base interactions energy: -1326.360
where: short stacking energy: -569.508
Base-Backbone interact. energy: 2.593
local terms energy: -619.713749
where:
bonds (distance) C4'-P energy: -110.302
bonds (distance) P-C4' energy: -150.754
flat angles C4'-P-C4' energy: -134.729
flat angles P-C4'-P energy: -71.399
tors. eta vs tors. theta energy: -152.529
Dist. restrs. and SS energy: 3.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1871.414313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.414313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.537222 (E_RNA)
where:
Base-Base interactions energy: -1292.767
where: short stacking energy: -529.324
Base-Backbone interact. energy: -1.951
local terms energy: -579.819377
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -125.997
flat angles C4'-P-C4' energy: -117.597
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -136.893
Dist. restrs. and SS energy: 3.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2736.809312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.809312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.423398 (E_RNA)
where:
Base-Base interactions energy: -1884.545
where: short stacking energy: -815.183
Base-Backbone interact. energy: -0.059
local terms energy: -852.819305
where:
bonds (distance) C4'-P energy: -157.246
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -181.533
flat angles P-C4'-P energy: -131.391
tors. eta vs tors. theta energy: -228.282
Dist. restrs. and SS energy: 0.614 (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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2670.410973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.410973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.472949 (E_RNA)
where:
Base-Base interactions energy: -1831.960
where: short stacking energy: -805.341
Base-Backbone interact. energy: -3.669
local terms energy: -837.844019
where:
bonds (distance) C4'-P energy: -149.021
bonds (distance) P-C4' energy: -144.120
flat angles C4'-P-C4' energy: -185.385
flat angles P-C4'-P energy: -128.354
tors. eta vs tors. theta energy: -230.964
Dist. restrs. and SS energy: 3.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2511.586215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.586215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.057579 (E_RNA)
where:
Base-Base interactions energy: -1714.767
where: short stacking energy: -769.347
Base-Backbone interact. energy: 5.827
local terms energy: -804.116975
where:
bonds (distance) C4'-P energy: -142.546
bonds (distance) P-C4' energy: -160.497
flat angles C4'-P-C4' energy: -172.029
flat angles P-C4'-P energy: -110.842
tors. eta vs tors. theta energy: -218.203
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: 88
Temperature: 1.050000
Total energy: -2406.161035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.161035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.824221 (E_RNA)
where:
Base-Base interactions energy: -1635.519
where: short stacking energy: -716.718
Base-Backbone interact. energy: -1.874
local terms energy: -772.431512
where:
bonds (distance) C4'-P energy: -143.687
bonds (distance) P-C4' energy: -150.547
flat angles C4'-P-C4' energy: -162.032
flat angles P-C4'-P energy: -115.116
tors. eta vs tors. theta energy: -201.049
Dist. restrs. and SS energy: 3.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2305.871563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.871563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.594747 (E_RNA)
where:
Base-Base interactions energy: -1540.621
where: short stacking energy: -658.467
Base-Backbone interact. energy: -3.408
local terms energy: -763.565577
where:
bonds (distance) C4'-P energy: -162.419
bonds (distance) P-C4' energy: -137.647
flat angles C4'-P-C4' energy: -168.900
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -194.160
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2244.721366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.721366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.529665 (E_RNA)
where:
Base-Base interactions energy: -1534.685
where: short stacking energy: -633.667
Base-Backbone interact. energy: 3.611
local terms energy: -715.455380
where:
bonds (distance) C4'-P energy: -128.590
bonds (distance) P-C4' energy: -145.291
flat angles C4'-P-C4' energy: -170.639
flat angles P-C4'-P energy: -99.857
tors. eta vs tors. theta energy: -171.077
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: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2114.792720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.792720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.417450 (E_RNA)
where:
Base-Base interactions energy: -1422.085
where: short stacking energy: -594.629
Base-Backbone interact. energy: 6.346
local terms energy: -700.678532
where:
bonds (distance) C4'-P energy: -131.515
bonds (distance) P-C4' energy: -139.062
flat angles C4'-P-C4' energy: -158.515
flat angles P-C4'-P energy: -112.422
tors. eta vs tors. theta energy: -159.164
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: 8, replica: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2019.515881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.515881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.195835 (E_RNA)
where:
Base-Base interactions energy: -1398.108
where: short stacking energy: -582.569
Base-Backbone interact. energy: 7.117
local terms energy: -631.204822
where:
bonds (distance) C4'-P energy: -138.076
bonds (distance) P-C4' energy: -124.938
flat angles C4'-P-C4' energy: -151.881
flat angles P-C4'-P energy: -78.545
tors. eta vs tors. theta energy: -137.764
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1965.307604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.307604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.716570 (E_RNA)
where:
Base-Base interactions energy: -1351.807
where: short stacking energy: -544.097
Base-Backbone interact. energy: -2.521
local terms energy: -614.388336
where:
bonds (distance) C4'-P energy: -114.864
bonds (distance) P-C4' energy: -111.740
flat angles C4'-P-C4' energy: -158.613
flat angles P-C4'-P energy: -92.702
tors. eta vs tors. theta energy: -136.469
Dist. restrs. and SS energy: 3.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1894.363877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.363877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.063984 (E_RNA)
where:
Base-Base interactions energy: -1281.961
where: short stacking energy: -555.966
Base-Backbone interact. energy: -1.857
local terms energy: -613.245691
where:
bonds (distance) C4'-P energy: -140.405
bonds (distance) P-C4' energy: -121.944
flat angles C4'-P-C4' energy: -140.815
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -135.647
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: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2737.928761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.928761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.704029 (E_RNA)
where:
Base-Base interactions energy: -1884.689
where: short stacking energy: -825.367
Base-Backbone interact. energy: 3.040
local terms energy: -858.054632
where:
bonds (distance) C4'-P energy: -151.446
bonds (distance) P-C4' energy: -173.750
flat angles C4'-P-C4' energy: -176.313
flat angles P-C4'-P energy: -121.492
tors. eta vs tors. theta energy: -235.054
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: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2666.273685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.273685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.897750 (E_RNA)
where:
Base-Base interactions energy: -1816.886
where: short stacking energy: -783.444
Base-Backbone interact. energy: -5.400
local terms energy: -846.611671
where:
bonds (distance) C4'-P energy: -153.433
bonds (distance) P-C4' energy: -158.618
flat angles C4'-P-C4' energy: -180.523
flat angles P-C4'-P energy: -121.549
tors. eta vs tors. theta energy: -232.489
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2557.982257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.982257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.783033 (E_RNA)
where:
Base-Base interactions energy: -1783.285
where: short stacking energy: -771.369
Base-Backbone interact. energy: -0.078
local terms energy: -775.420224
where:
bonds (distance) C4'-P energy: -136.463
bonds (distance) P-C4' energy: -141.513
flat angles C4'-P-C4' energy: -175.032
flat angles P-C4'-P energy: -99.963
tors. eta vs tors. theta energy: -222.449
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: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2396.796870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.796870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.305192 (E_RNA)
where:
Base-Base interactions energy: -1612.161
where: short stacking energy: -704.970
Base-Backbone interact. energy: -3.356
local terms energy: -782.788691
where:
bonds (distance) C4'-P energy: -147.963
bonds (distance) P-C4' energy: -153.696
flat angles C4'-P-C4' energy: -164.084
flat angles P-C4'-P energy: -111.679
tors. eta vs tors. theta energy: -205.365
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: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2296.634505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.634505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.104181 (E_RNA)
where:
Base-Base interactions energy: -1563.732
where: short stacking energy: -701.074
Base-Backbone interact. energy: 2.080
local terms energy: -737.452644
where:
bonds (distance) C4'-P energy: -137.706
bonds (distance) P-C4' energy: -149.690
flat angles C4'-P-C4' energy: -164.854
flat angles P-C4'-P energy: -93.177
tors. eta vs tors. theta energy: -192.026
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: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2268.559823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.559823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.738085 (E_RNA)
where:
Base-Base interactions energy: -1544.364
where: short stacking energy: -647.671
Base-Backbone interact. energy: 3.972
local terms energy: -730.346490
where:
bonds (distance) C4'-P energy: -127.060
bonds (distance) P-C4' energy: -154.757
flat angles C4'-P-C4' energy: -174.582
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -185.194
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2117.373634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.373634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.053547 (E_RNA)
where:
Base-Base interactions energy: -1454.451
where: short stacking energy: -636.734
Base-Backbone interact. energy: 3.868
local terms energy: -669.470418
where:
bonds (distance) C4'-P energy: -111.638
bonds (distance) P-C4' energy: -118.175
flat angles C4'-P-C4' energy: -171.982
flat angles P-C4'-P energy: -102.286
tors. eta vs tors. theta energy: -165.389
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: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2012.562170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.562170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.314714 (E_RNA)
where:
Base-Base interactions energy: -1355.369
where: short stacking energy: -567.885
Base-Backbone interact. energy: -0.273
local terms energy: -659.672747
where:
bonds (distance) C4'-P energy: -112.243
bonds (distance) P-C4' energy: -142.764
flat angles C4'-P-C4' energy: -143.640
flat angles P-C4'-P energy: -89.973
tors. eta vs tors. theta energy: -171.053
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1940.774128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.774128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.013741 (E_RNA)
where:
Base-Base interactions energy: -1338.286
where: short stacking energy: -540.739
Base-Backbone interact. energy: -2.840
local terms energy: -601.887598
where:
bonds (distance) C4'-P energy: -118.072
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -137.770
flat angles P-C4'-P energy: -99.844
tors. eta vs tors. theta energy: -128.368
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: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1925.995118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.995118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.179242 (E_RNA)
where:
Base-Base interactions energy: -1308.376
where: short stacking energy: -546.492
Base-Backbone interact. energy: 2.364
local terms energy: -622.166960
where:
bonds (distance) C4'-P energy: -126.836
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -135.924
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -141.083
Dist. restrs. and SS energy: 2.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2749.513881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.513881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.076256 (E_RNA)
where:
Base-Base interactions energy: -1899.704
where: short stacking energy: -828.628
Base-Backbone interact. energy: -3.431
local terms energy: -847.941615
where:
bonds (distance) C4'-P energy: -137.678
bonds (distance) P-C4' energy: -160.718
flat angles C4'-P-C4' energy: -179.080
flat angles P-C4'-P energy: -126.635
tors. eta vs tors. theta energy: -243.830
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: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2681.620717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.620717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.365465 (E_RNA)
where:
Base-Base interactions energy: -1843.627
where: short stacking energy: -789.507
Base-Backbone interact. energy: -3.153
local terms energy: -837.585914
where:
bonds (distance) C4'-P energy: -146.678
bonds (distance) P-C4' energy: -143.699
flat angles C4'-P-C4' energy: -185.702
flat angles P-C4'-P energy: -124.917
tors. eta vs tors. theta energy: -236.590
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2562.001156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.001156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.390457 (E_RNA)
where:
Base-Base interactions energy: -1738.690
where: short stacking energy: -748.050
Base-Backbone interact. energy: 0.725
local terms energy: -826.425619
where:
bonds (distance) C4'-P energy: -147.636
bonds (distance) P-C4' energy: -153.888
flat angles C4'-P-C4' energy: -171.171
flat angles P-C4'-P energy: -129.779
tors. eta vs tors. theta energy: -223.952
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: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2388.093205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.093205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.794770 (E_RNA)
where:
Base-Base interactions energy: -1627.696
where: short stacking energy: -729.497
Base-Backbone interact. energy: 1.045
local terms energy: -763.143543
where:
bonds (distance) C4'-P energy: -146.311
bonds (distance) P-C4' energy: -142.692
flat angles C4'-P-C4' energy: -161.822
flat angles P-C4'-P energy: -107.434
tors. eta vs tors. theta energy: -204.884
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2359.166876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.166876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.431633 (E_RNA)
where:
Base-Base interactions energy: -1608.639
where: short stacking energy: -673.407
Base-Backbone interact. energy: -4.104
local terms energy: -748.688846
where:
bonds (distance) C4'-P energy: -151.515
bonds (distance) P-C4' energy: -128.959
flat angles C4'-P-C4' energy: -168.723
flat angles P-C4'-P energy: -106.124
tors. eta vs tors. theta energy: -193.367
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: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2195.616103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.616103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.058275 (E_RNA)
where:
Base-Base interactions energy: -1484.118
where: short stacking energy: -655.362
Base-Backbone interact. energy: 5.624
local terms energy: -719.564886
where:
bonds (distance) C4'-P energy: -135.271
bonds (distance) P-C4' energy: -132.283
flat angles C4'-P-C4' energy: -172.606
flat angles P-C4'-P energy: -101.146
tors. eta vs tors. theta energy: -178.258
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: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2091.120711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.120711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.354940 (E_RNA)
where:
Base-Base interactions energy: -1410.758
where: short stacking energy: -616.378
Base-Backbone interact. energy: 6.160
local terms energy: -688.757502
where:
bonds (distance) C4'-P energy: -140.656
bonds (distance) P-C4' energy: -133.092
flat angles C4'-P-C4' energy: -169.573
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -159.747
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: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2027.701823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.701823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.889490 (E_RNA)
where:
Base-Base interactions energy: -1353.169
where: short stacking energy: -572.499
Base-Backbone interact. energy: 2.549
local terms energy: -679.269713
where:
bonds (distance) C4'-P energy: -128.541
bonds (distance) P-C4' energy: -143.231
flat angles C4'-P-C4' energy: -140.729
flat angles P-C4'-P energy: -112.526
tors. eta vs tors. theta energy: -154.243
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: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1945.371454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.371454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.509486 (E_RNA)
where:
Base-Base interactions energy: -1310.595
where: short stacking energy: -551.854
Base-Backbone interact. energy: -1.022
local terms energy: -636.892308
where:
bonds (distance) C4'-P energy: -120.353
bonds (distance) P-C4' energy: -148.817
flat angles C4'-P-C4' energy: -145.203
flat angles P-C4'-P energy: -76.016
tors. eta vs tors. theta energy: -146.503
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1878.266480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.266480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.729518 (E_RNA)
where:
Base-Base interactions energy: -1288.859
where: short stacking energy: -529.524
Base-Backbone interact. energy: -2.194
local terms energy: -589.677232
where:
bonds (distance) C4'-P energy: -118.399
bonds (distance) P-C4' energy: -126.387
flat angles C4'-P-C4' energy: -130.469
flat angles P-C4'-P energy: -86.436
tors. eta vs tors. theta energy: -127.986
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: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2724.644470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.644470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.147646 (E_RNA)
where:
Base-Base interactions energy: -1857.296
where: short stacking energy: -811.446
Base-Backbone interact. energy: -2.579
local terms energy: -866.272001
where:
bonds (distance) C4'-P energy: -144.968
bonds (distance) P-C4' energy: -171.589
flat angles C4'-P-C4' energy: -195.075
flat angles P-C4'-P energy: -119.270
tors. eta vs tors. theta energy: -235.371
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2663.568320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.568320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.461638 (E_RNA)
where:
Base-Base interactions energy: -1830.731
where: short stacking energy: -808.979
Base-Backbone interact. energy: -2.996
local terms energy: -831.734632
where:
bonds (distance) C4'-P energy: -152.663
bonds (distance) P-C4' energy: -154.138
flat angles C4'-P-C4' energy: -175.153
flat angles P-C4'-P energy: -121.557
tors. eta vs tors. theta energy: -228.223
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: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2619.815284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.815284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.355354 (E_RNA)
where:
Base-Base interactions energy: -1807.872
where: short stacking energy: -753.940
Base-Backbone interact. energy: 3.325
local terms energy: -816.807976
where:
bonds (distance) C4'-P energy: -151.918
bonds (distance) P-C4' energy: -155.340
flat angles C4'-P-C4' energy: -171.726
flat angles P-C4'-P energy: -99.878
tors. eta vs tors. theta energy: -237.946
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: 91
Temperature: 1.050000
Total energy: -2406.347255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.347255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.297100 (E_RNA)
where:
Base-Base interactions energy: -1624.211
where: short stacking energy: -699.625
Base-Backbone interact. energy: 4.507
local terms energy: -788.592386
where:
bonds (distance) C4'-P energy: -147.364
bonds (distance) P-C4' energy: -153.777
flat angles C4'-P-C4' energy: -152.612
flat angles P-C4'-P energy: -118.656
tors. eta vs tors. theta energy: -216.183
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: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2390.423666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.423666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.665740 (E_RNA)
where:
Base-Base interactions energy: -1620.909
where: short stacking energy: -699.492
Base-Backbone interact. energy: 0.285
local terms energy: -772.041916
where:
bonds (distance) C4'-P energy: -146.622
bonds (distance) P-C4' energy: -135.534
flat angles C4'-P-C4' energy: -165.001
flat angles P-C4'-P energy: -112.132
tors. eta vs tors. theta energy: -212.753
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: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2173.563895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.563895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.671162 (E_RNA)
where:
Base-Base interactions energy: -1497.696
where: short stacking energy: -620.954
Base-Backbone interact. energy: 2.430
local terms energy: -680.404613
where:
bonds (distance) C4'-P energy: -132.978
bonds (distance) P-C4' energy: -135.587
flat angles C4'-P-C4' energy: -153.256
flat angles P-C4'-P energy: -100.496
tors. eta vs tors. theta energy: -158.088
Dist. restrs. and SS energy: 2.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2126.416244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.416244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.144459 (E_RNA)
where:
Base-Base interactions energy: -1436.200
where: short stacking energy: -621.295
Base-Backbone interact. energy: 0.864
local terms energy: -692.807760
where:
bonds (distance) C4'-P energy: -135.978
bonds (distance) P-C4' energy: -121.873
flat angles C4'-P-C4' energy: -150.330
flat angles P-C4'-P energy: -104.280
tors. eta vs tors. theta energy: -180.347
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: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2050.960985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.960985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.803034 (E_RNA)
where:
Base-Base interactions energy: -1386.654
where: short stacking energy: -585.078
Base-Backbone interact. energy: 1.167
local terms energy: -667.315648
where:
bonds (distance) C4'-P energy: -129.834
bonds (distance) P-C4' energy: -151.876
flat angles C4'-P-C4' energy: -127.958
flat angles P-C4'-P energy: -96.031
tors. eta vs tors. theta energy: -161.617
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: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1933.804441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.804441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.312430 (E_RNA)
where:
Base-Base interactions energy: -1293.422
where: short stacking energy: -542.413
Base-Backbone interact. energy: 5.767
local terms energy: -647.658062
where:
bonds (distance) C4'-P energy: -125.796
bonds (distance) P-C4' energy: -166.066
flat angles C4'-P-C4' energy: -135.037
flat angles P-C4'-P energy: -88.233
tors. eta vs tors. theta energy: -132.526
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: 91
Temperature: 1.350000
Total energy: -1887.092958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.092958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.270168 (E_RNA)
where:
Base-Base interactions energy: -1289.653
where: short stacking energy: -560.539
Base-Backbone interact. energy: 3.132
local terms energy: -605.749247
where:
bonds (distance) C4'-P energy: -85.702
bonds (distance) P-C4' energy: -126.518
flat angles C4'-P-C4' energy: -148.691
flat angles P-C4'-P energy: -100.911
tors. eta vs tors. theta energy: -143.928
Dist. restrs. and SS energy: 5.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2751.235318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.268674 (E_RNA)
where:
Base-Base interactions energy: -1921.584
where: short stacking energy: -820.250
Base-Backbone interact. energy: 0.205
local terms energy: -830.889647
where:
bonds (distance) C4'-P energy: -133.094
bonds (distance) P-C4' energy: -155.684
flat angles C4'-P-C4' energy: -196.282
flat angles P-C4'-P energy: -103.761
tors. eta vs tors. theta energy: -242.068
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2637.003579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.003579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.075250 (E_RNA)
where:
Base-Base interactions energy: -1787.871
where: short stacking energy: -756.681
Base-Backbone interact. energy: -3.000
local terms energy: -847.203828
where:
bonds (distance) C4'-P energy: -160.644
bonds (distance) P-C4' energy: -162.178
flat angles C4'-P-C4' energy: -188.606
flat angles P-C4'-P energy: -103.655
tors. eta vs tors. theta energy: -232.121
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2555.384651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.384651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.603719 (E_RNA)
where:
Base-Base interactions energy: -1744.558
where: short stacking energy: -714.925
Base-Backbone interact. energy: -2.451
local terms energy: -809.595061
where:
bonds (distance) C4'-P energy: -143.328
bonds (distance) P-C4' energy: -147.601
flat angles C4'-P-C4' energy: -177.087
flat angles P-C4'-P energy: -126.947
tors. eta vs tors. theta energy: -214.632
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: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2422.690912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.690912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.921740 (E_RNA)
where:
Base-Base interactions energy: -1637.882
where: short stacking energy: -671.360
Base-Backbone interact. energy: -4.176
local terms energy: -781.863375
where:
bonds (distance) C4'-P energy: -149.783
bonds (distance) P-C4' energy: -160.490
flat angles C4'-P-C4' energy: -172.175
flat angles P-C4'-P energy: -105.819
tors. eta vs tors. theta energy: -193.597
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2411.455753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.455753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.111564 (E_RNA)
where:
Base-Base interactions energy: -1653.299
where: short stacking energy: -739.556
Base-Backbone interact. energy: -0.263
local terms energy: -759.549216
where:
bonds (distance) C4'-P energy: -145.057
bonds (distance) P-C4' energy: -132.137
flat angles C4'-P-C4' energy: -176.173
flat angles P-C4'-P energy: -94.366
tors. eta vs tors. theta energy: -211.816
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: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2179.852398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.852398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.227052 (E_RNA)
where:
Base-Base interactions energy: -1496.869
where: short stacking energy: -627.427
Base-Backbone interact. energy: -3.270
local terms energy: -681.087823
where:
bonds (distance) C4'-P energy: -131.416
bonds (distance) P-C4' energy: -117.733
flat angles C4'-P-C4' energy: -166.568
flat angles P-C4'-P energy: -109.599
tors. eta vs tors. theta energy: -155.772
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: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2138.856505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.972257 (E_RNA)
where:
Base-Base interactions energy: -1448.346
where: short stacking energy: -636.122
Base-Backbone interact. energy: 0.353
local terms energy: -692.979429
where:
bonds (distance) C4'-P energy: -117.320
bonds (distance) P-C4' energy: -149.968
flat angles C4'-P-C4' energy: -151.458
flat angles P-C4'-P energy: -106.993
tors. eta vs tors. theta energy: -167.241
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: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2004.783726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.783726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.286049 (E_RNA)
where:
Base-Base interactions energy: -1359.020
where: short stacking energy: -542.442
Base-Backbone interact. energy: -2.298
local terms energy: -644.968013
where:
bonds (distance) C4'-P energy: -129.724
bonds (distance) P-C4' energy: -133.576
flat angles C4'-P-C4' energy: -148.241
flat angles P-C4'-P energy: -94.344
tors. eta vs tors. theta energy: -139.083
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: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1912.897757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.897757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.416461 (E_RNA)
where:
Base-Base interactions energy: -1318.135
where: short stacking energy: -540.863
Base-Backbone interact. energy: 6.183
local terms energy: -604.464243
where:
bonds (distance) C4'-P energy: -118.305
bonds (distance) P-C4' energy: -129.900
flat angles C4'-P-C4' energy: -139.125
flat angles P-C4'-P energy: -67.473
tors. eta vs tors. theta energy: -149.661
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1909.205042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.205042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.644153 (E_RNA)
where:
Base-Base interactions energy: -1298.389
where: short stacking energy: -540.362
Base-Backbone interact. energy: -1.548
local terms energy: -613.707291
where:
bonds (distance) C4'-P energy: -118.312
bonds (distance) P-C4' energy: -138.659
flat angles C4'-P-C4' energy: -147.945
flat angles P-C4'-P energy: -79.574
tors. eta vs tors. theta energy: -129.217
Dist. restrs. and SS energy: 4.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2761.195112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.195112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.816701 (E_RNA)
where:
Base-Base interactions energy: -1890.320
where: short stacking energy: -829.578
Base-Backbone interact. energy: -0.517
local terms energy: -871.979858
where:
bonds (distance) C4'-P energy: -179.808
bonds (distance) P-C4' energy: -149.286
flat angles C4'-P-C4' energy: -187.593
flat angles P-C4'-P energy: -124.839
tors. eta vs tors. theta energy: -230.455
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: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2676.662801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.662801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.880930 (E_RNA)
where:
Base-Base interactions energy: -1839.965
where: short stacking energy: -785.886
Base-Backbone interact. energy: 2.699
local terms energy: -841.614927
where:
bonds (distance) C4'-P energy: -161.814
bonds (distance) P-C4' energy: -164.515
flat angles C4'-P-C4' energy: -182.487
flat angles P-C4'-P energy: -112.811
tors. eta vs tors. theta energy: -219.988
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2587.662861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.662861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.737662 (E_RNA)
where:
Base-Base interactions energy: -1763.178
where: short stacking energy: -790.466
Base-Backbone interact. energy: 1.529
local terms energy: -828.088859
where:
bonds (distance) C4'-P energy: -135.932
bonds (distance) P-C4' energy: -152.481
flat angles C4'-P-C4' energy: -176.863
flat angles P-C4'-P energy: -118.670
tors. eta vs tors. theta energy: -244.142
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: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2401.949039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.949039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.548215 (E_RNA)
where:
Base-Base interactions energy: -1625.836
where: short stacking energy: -700.863
Base-Backbone interact. energy: -1.057
local terms energy: -776.654676
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -153.866
flat angles C4'-P-C4' energy: -168.915
flat angles P-C4'-P energy: -113.776
tors. eta vs tors. theta energy: -206.274
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2341.982486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.982486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.979916 (E_RNA)
where:
Base-Base interactions energy: -1571.104
where: short stacking energy: -677.914
Base-Backbone interact. energy: -0.642
local terms energy: -772.233808
where:
bonds (distance) C4'-P energy: -144.298
bonds (distance) P-C4' energy: -158.163
flat angles C4'-P-C4' energy: -167.883
flat angles P-C4'-P energy: -114.358
tors. eta vs tors. theta energy: -187.531
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2194.340075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.340075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.107424 (E_RNA)
where:
Base-Base interactions energy: -1448.075
where: short stacking energy: -623.934
Base-Backbone interact. energy: -3.054
local terms energy: -746.978644
where:
bonds (distance) C4'-P energy: -134.577
bonds (distance) P-C4' energy: -146.191
flat angles C4'-P-C4' energy: -180.570
flat angles P-C4'-P energy: -100.861
tors. eta vs tors. theta energy: -184.780
Dist. restrs. and SS energy: 3.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2077.513323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.893381 (E_RNA)
where:
Base-Base interactions energy: -1435.022
where: short stacking energy: -597.319
Base-Backbone interact. energy: -1.189
local terms energy: -643.682256
where:
bonds (distance) C4'-P energy: -126.755
bonds (distance) P-C4' energy: -111.764
flat angles C4'-P-C4' energy: -149.647
flat angles P-C4'-P energy: -102.931
tors. eta vs tors. theta energy: -152.585
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2005.987922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.987922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.882358 (E_RNA)
where:
Base-Base interactions energy: -1364.203
where: short stacking energy: -563.254
Base-Backbone interact. energy: -1.743
local terms energy: -642.935964
where:
bonds (distance) C4'-P energy: -132.692
bonds (distance) P-C4' energy: -138.019
flat angles C4'-P-C4' energy: -128.656
flat angles P-C4'-P energy: -92.313
tors. eta vs tors. theta energy: -151.256
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: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1963.839931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.839931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.142254 (E_RNA)
where:
Base-Base interactions energy: -1338.292
where: short stacking energy: -589.252
Base-Backbone interact. energy: 10.704
local terms energy: -640.554166
where:
bonds (distance) C4'-P energy: -132.638
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -139.696
flat angles P-C4'-P energy: -78.057
tors. eta vs tors. theta energy: -145.667
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: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1837.426372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.426372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.514880 (E_RNA)
where:
Base-Base interactions energy: -1235.310
where: short stacking energy: -511.928
Base-Backbone interact. energy: 1.288
local terms energy: -610.492062
where:
bonds (distance) C4'-P energy: -115.331
bonds (distance) P-C4' energy: -139.593
flat angles C4'-P-C4' energy: -143.809
flat angles P-C4'-P energy: -81.162
tors. eta vs tors. theta energy: -130.597
Dist. restrs. and SS energy: 7.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2751.654799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.654799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.547746 (E_RNA)
where:
Base-Base interactions energy: -1903.249
where: short stacking energy: -820.841
Base-Backbone interact. energy: -2.685
local terms energy: -847.613940
where:
bonds (distance) C4'-P energy: -163.605
bonds (distance) P-C4' energy: -156.687
flat angles C4'-P-C4' energy: -190.041
flat angles P-C4'-P energy: -108.490
tors. eta vs tors. theta energy: -228.790
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: 2, replica: 9
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2650.864614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.864614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.660704 (E_RNA)
where:
Base-Base interactions energy: -1825.079
where: short stacking energy: -783.132
Base-Backbone interact. energy: 5.406
local terms energy: -832.987851
where:
bonds (distance) C4'-P energy: -160.499
bonds (distance) P-C4' energy: -153.338
flat angles C4'-P-C4' energy: -173.893
flat angles P-C4'-P energy: -129.468
tors. eta vs tors. theta energy: -215.790
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: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2581.448916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.448916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.574110 (E_RNA)
where:
Base-Base interactions energy: -1756.391
where: short stacking energy: -762.255
Base-Backbone interact. energy: 2.545
local terms energy: -829.728024
where:
bonds (distance) C4'-P energy: -152.710
bonds (distance) P-C4' energy: -160.481
flat angles C4'-P-C4' energy: -175.844
flat angles P-C4'-P energy: -116.111
tors. eta vs tors. theta energy: -224.582
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2427.163345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.163345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.815301 (E_RNA)
where:
Base-Base interactions energy: -1619.456
where: short stacking energy: -706.712
Base-Backbone interact. energy: -4.780
local terms energy: -804.579128
where:
bonds (distance) C4'-P energy: -154.657
bonds (distance) P-C4' energy: -161.961
flat angles C4'-P-C4' energy: -179.799
flat angles P-C4'-P energy: -115.264
tors. eta vs tors. theta energy: -192.898
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2351.581671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.581671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.815600 (E_RNA)
where:
Base-Base interactions energy: -1557.098
where: short stacking energy: -706.933
Base-Backbone interact. energy: -1.498
local terms energy: -795.220007
where:
bonds (distance) C4'-P energy: -152.444
bonds (distance) P-C4' energy: -169.792
flat angles C4'-P-C4' energy: -162.528
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -201.356
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2183.696125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.696125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.456779 (E_RNA)
where:
Base-Base interactions energy: -1456.017
where: short stacking energy: -634.194
Base-Backbone interact. energy: -2.359
local terms energy: -727.080973
where:
bonds (distance) C4'-P energy: -139.599
bonds (distance) P-C4' energy: -145.291
flat angles C4'-P-C4' energy: -162.449
flat angles P-C4'-P energy: -97.965
tors. eta vs tors. theta energy: -181.777
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: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2111.121349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.121349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.340824 (E_RNA)
where:
Base-Base interactions energy: -1429.904
where: short stacking energy: -623.041
Base-Backbone interact. energy: 4.113
local terms energy: -687.549048
where:
bonds (distance) C4'-P energy: -140.914
bonds (distance) P-C4' energy: -139.854
flat angles C4'-P-C4' energy: -150.615
flat angles P-C4'-P energy: -80.888
tors. eta vs tors. theta energy: -175.278
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2027.169435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.169435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.236223 (E_RNA)
where:
Base-Base interactions energy: -1336.310
where: short stacking energy: -559.268
Base-Backbone interact. energy: -2.065
local terms energy: -693.860919
where:
bonds (distance) C4'-P energy: -137.620
bonds (distance) P-C4' energy: -152.042
flat angles C4'-P-C4' energy: -164.809
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -146.875
Dist. restrs. and SS energy: 5.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1969.510080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.510080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.939984 (E_RNA)
where:
Base-Base interactions energy: -1314.734
where: short stacking energy: -570.966
Base-Backbone interact. energy: -3.429
local terms energy: -654.776047
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -136.056
flat angles C4'-P-C4' energy: -143.193
flat angles P-C4'-P energy: -93.265
tors. eta vs tors. theta energy: -161.023
Dist. restrs. and SS energy: 3.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1880.565412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.565412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.137813 (E_RNA)
where:
Base-Base interactions energy: -1300.095
where: short stacking energy: -549.457
Base-Backbone interact. energy: -3.971
local terms energy: -579.072028
where:
bonds (distance) C4'-P energy: -110.726
bonds (distance) P-C4' energy: -130.635
flat angles C4'-P-C4' energy: -131.042
flat angles P-C4'-P energy: -75.057
tors. eta vs tors. theta energy: -131.611
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: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2743.387160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.387160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.211204 (E_RNA)
where:
Base-Base interactions energy: -1873.532
where: short stacking energy: -822.647
Base-Backbone interact. energy: 0.550
local terms energy: -872.229164
where:
bonds (distance) C4'-P energy: -157.200
bonds (distance) P-C4' energy: -160.986
flat angles C4'-P-C4' energy: -186.881
flat angles P-C4'-P energy: -132.402
tors. eta vs tors. theta energy: -234.760
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: 2, replica: 9
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2682.237166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.237166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.102769 (E_RNA)
where:
Base-Base interactions energy: -1818.705
where: short stacking energy: -789.776
Base-Backbone interact. energy: -6.656
local terms energy: -858.742521
where:
bonds (distance) C4'-P energy: -162.852
bonds (distance) P-C4' energy: -156.664
flat angles C4'-P-C4' energy: -177.407
flat angles P-C4'-P energy: -131.961
tors. eta vs tors. theta energy: -229.859
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: 3, replica: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2576.264244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.615810 (E_RNA)
where:
Base-Base interactions energy: -1807.902
where: short stacking energy: -745.420
Base-Backbone interact. energy: -0.252
local terms energy: -769.462039
where:
bonds (distance) C4'-P energy: -141.885
bonds (distance) P-C4' energy: -155.375
flat angles C4'-P-C4' energy: -168.107
flat angles P-C4'-P energy: -100.712
tors. eta vs tors. theta energy: -203.383
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2401.666403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.666403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.722203 (E_RNA)
where:
Base-Base interactions energy: -1622.508
where: short stacking energy: -692.013
Base-Backbone interact. energy: -0.310
local terms energy: -780.904800
where:
bonds (distance) C4'-P energy: -151.261
bonds (distance) P-C4' energy: -164.480
flat angles C4'-P-C4' energy: -169.146
flat angles P-C4'-P energy: -110.402
tors. eta vs tors. theta energy: -185.615
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: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2350.943110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.943110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.463692 (E_RNA)
where:
Base-Base interactions energy: -1615.906
where: short stacking energy: -702.449
Base-Backbone interact. energy: 3.635
local terms energy: -740.192609
where:
bonds (distance) C4'-P energy: -139.245
bonds (distance) P-C4' energy: -142.798
flat angles C4'-P-C4' energy: -156.777
flat angles P-C4'-P energy: -109.451
tors. eta vs tors. theta energy: -191.922
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: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2134.646485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.646485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.416678 (E_RNA)
where:
Base-Base interactions energy: -1456.923
where: short stacking energy: -648.130
Base-Backbone interact. energy: -0.957
local terms energy: -679.536839
where:
bonds (distance) C4'-P energy: -116.536
bonds (distance) P-C4' energy: -136.743
flat angles C4'-P-C4' energy: -164.714
flat angles P-C4'-P energy: -94.438
tors. eta vs tors. theta energy: -167.105
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: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2090.502963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.502963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.323555 (E_RNA)
where:
Base-Base interactions energy: -1384.436
where: short stacking energy: -568.032
Base-Backbone interact. energy: 3.069
local terms energy: -711.956907
where:
bonds (distance) C4'-P energy: -143.000
bonds (distance) P-C4' energy: -138.652
flat angles C4'-P-C4' energy: -145.186
flat angles P-C4'-P energy: -111.718
tors. eta vs tors. theta energy: -173.401
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: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1957.048291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.048291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.470473 (E_RNA)
where:
Base-Base interactions energy: -1318.436
where: short stacking energy: -549.683
Base-Backbone interact. energy: -1.382
local terms energy: -639.652685
where:
bonds (distance) C4'-P energy: -136.524
bonds (distance) P-C4' energy: -137.103
flat angles C4'-P-C4' energy: -131.100
flat angles P-C4'-P energy: -99.946
tors. eta vs tors. theta energy: -134.980
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1944.183454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.183454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.030256 (E_RNA)
where:
Base-Base interactions energy: -1300.340
where: short stacking energy: -531.378
Base-Backbone interact. energy: 4.702
local terms energy: -650.391953
where:
bonds (distance) C4'-P energy: -128.576
bonds (distance) P-C4' energy: -136.472
flat angles C4'-P-C4' energy: -145.035
flat angles P-C4'-P energy: -102.963
tors. eta vs tors. theta energy: -137.344
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: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1859.425176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.425176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.544350 (E_RNA)
where:
Base-Base interactions energy: -1240.816
where: short stacking energy: -492.464
Base-Backbone interact. energy: -2.439
local terms energy: -618.289864
where:
bonds (distance) C4'-P energy: -145.525
bonds (distance) P-C4' energy: -136.939
flat angles C4'-P-C4' energy: -130.062
flat angles P-C4'-P energy: -77.477
tors. eta vs tors. theta energy: -128.286
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: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2719.147504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.147504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.221083 (E_RNA)
where:
Base-Base interactions energy: -1841.372
where: short stacking energy: -824.026
Base-Backbone interact. energy: -3.682
local terms energy: -876.167509
where:
bonds (distance) C4'-P energy: -158.249
bonds (distance) P-C4' energy: -171.098
flat angles C4'-P-C4' energy: -182.463
flat angles P-C4'-P energy: -127.105
tors. eta vs tors. theta energy: -237.251
Dist. restrs. and SS energy: 2.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2667.509332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.509332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.135830 (E_RNA)
where:
Base-Base interactions energy: -1830.823
where: short stacking energy: -768.013
Base-Backbone interact. energy: -2.043
local terms energy: -836.270091
where:
bonds (distance) C4'-P energy: -152.756
bonds (distance) P-C4' energy: -148.393
flat angles C4'-P-C4' energy: -183.667
flat angles P-C4'-P energy: -134.382
tors. eta vs tors. theta energy: -217.072
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: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2605.306371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.306371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.085381 (E_RNA)
where:
Base-Base interactions energy: -1782.932
where: short stacking energy: -763.551
Base-Backbone interact. energy: -2.828
local terms energy: -821.325662
where:
bonds (distance) C4'-P energy: -146.360
bonds (distance) P-C4' energy: -170.862
flat angles C4'-P-C4' energy: -171.135
flat angles P-C4'-P energy: -113.893
tors. eta vs tors. theta energy: -219.075
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2470.401912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.401912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.980753 (E_RNA)
where:
Base-Base interactions energy: -1694.619
where: short stacking energy: -717.292
Base-Backbone interact. energy: -1.199
local terms energy: -776.163122
where:
bonds (distance) C4'-P energy: -154.371
bonds (distance) P-C4' energy: -134.123
flat angles C4'-P-C4' energy: -183.444
flat angles P-C4'-P energy: -92.186
tors. eta vs tors. theta energy: -212.039
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: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2344.537480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.537480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.966673 (E_RNA)
where:
Base-Base interactions energy: -1611.463
where: short stacking energy: -694.412
Base-Backbone interact. energy: -4.594
local terms energy: -730.909652
where:
bonds (distance) C4'-P energy: -127.809
bonds (distance) P-C4' energy: -144.505
flat angles C4'-P-C4' energy: -168.016
flat angles P-C4'-P energy: -101.343
tors. eta vs tors. theta energy: -189.237
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: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2197.285684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.285684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.224324 (E_RNA)
where:
Base-Base interactions energy: -1495.812
where: short stacking energy: -646.496
Base-Backbone interact. energy: -1.545
local terms energy: -701.867279
where:
bonds (distance) C4'-P energy: -132.298
bonds (distance) P-C4' energy: -129.824
flat angles C4'-P-C4' energy: -163.333
flat angles P-C4'-P energy: -105.668
tors. eta vs tors. theta energy: -170.744
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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2081.541058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.541058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.644317 (E_RNA)
where:
Base-Base interactions energy: -1396.159
where: short stacking energy: -603.225
Base-Backbone interact. energy: -0.037
local terms energy: -687.447735
where:
bonds (distance) C4'-P energy: -120.825
bonds (distance) P-C4' energy: -150.342
flat angles C4'-P-C4' energy: -141.519
flat angles P-C4'-P energy: -112.013
tors. eta vs tors. theta energy: -162.748
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: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -2005.092056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.092056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.722711 (E_RNA)
where:
Base-Base interactions energy: -1343.848
where: short stacking energy: -559.798
Base-Backbone interact. energy: 3.431
local terms energy: -667.305514
where:
bonds (distance) C4'-P energy: -117.709
bonds (distance) P-C4' energy: -147.012
flat angles C4'-P-C4' energy: -142.010
flat angles P-C4'-P energy: -103.599
tors. eta vs tors. theta energy: -156.977
Dist. restrs. and SS energy: 2.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1989.018884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.018884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.696668 (E_RNA)
where:
Base-Base interactions energy: -1350.739
where: short stacking energy: -591.096
Base-Backbone interact. energy: -3.824
local terms energy: -637.134274
where:
bonds (distance) C4'-P energy: -112.435
bonds (distance) P-C4' energy: -121.910
flat angles C4'-P-C4' energy: -137.704
flat angles P-C4'-P energy: -107.040
tors. eta vs tors. theta energy: -158.045
Dist. restrs. and SS energy: 2.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1837.956679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.956679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.312024 (E_RNA)
where:
Base-Base interactions energy: -1235.516
where: short stacking energy: -509.148
Base-Backbone interact. energy: 6.699
local terms energy: -612.495325
where:
bonds (distance) C4'-P energy: -143.862
bonds (distance) P-C4' energy: -124.489
flat angles C4'-P-C4' energy: -132.052
flat angles P-C4'-P energy: -88.507
tors. eta vs tors. theta energy: -123.585
Dist. restrs. and SS energy: 3.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2736.794620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.794620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.032555 (E_RNA)
where:
Base-Base interactions energy: -1875.915
where: short stacking energy: -815.231
Base-Backbone interact. energy: -2.543
local terms energy: -860.575221
where:
bonds (distance) C4'-P energy: -155.450
bonds (distance) P-C4' energy: -158.025
flat angles C4'-P-C4' energy: -186.849
flat angles P-C4'-P energy: -117.153
tors. eta vs tors. theta energy: -243.099
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: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2663.518012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.518012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.147118 (E_RNA)
where:
Base-Base interactions energy: -1828.910
where: short stacking energy: -779.122
Base-Backbone interact. energy: 0.755
local terms energy: -836.992569
where:
bonds (distance) C4'-P energy: -163.141
bonds (distance) P-C4' energy: -157.538
flat angles C4'-P-C4' energy: -177.695
flat angles P-C4'-P energy: -117.270
tors. eta vs tors. theta energy: -221.349
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: 97
Temperature: 1.000000
Total energy: -2565.070678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.070678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.583251 (E_RNA)
where:
Base-Base interactions energy: -1770.426
where: short stacking energy: -731.767
Base-Backbone interact. energy: -0.369
local terms energy: -795.788179
where:
bonds (distance) C4'-P energy: -142.073
bonds (distance) P-C4' energy: -142.233
flat angles C4'-P-C4' energy: -179.635
flat angles P-C4'-P energy: -110.682
tors. eta vs tors. theta energy: -221.166
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: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2452.843092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.843092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.510875 (E_RNA)
where:
Base-Base interactions energy: -1657.554
where: short stacking energy: -717.030
Base-Backbone interact. energy: 1.357
local terms energy: -799.312948
where:
bonds (distance) C4'-P energy: -153.506
bonds (distance) P-C4' energy: -147.879
flat angles C4'-P-C4' energy: -168.103
flat angles P-C4'-P energy: -115.477
tors. eta vs tors. theta energy: -214.348
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: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2369.865643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.865643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.350654 (E_RNA)
where:
Base-Base interactions energy: -1593.762
where: short stacking energy: -718.464
Base-Backbone interact. energy: -1.629
local terms energy: -775.959226
where:
bonds (distance) C4'-P energy: -139.173
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -160.587
flat angles P-C4'-P energy: -122.005
tors. eta vs tors. theta energy: -223.842
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2206.329019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.329019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.895983 (E_RNA)
where:
Base-Base interactions energy: -1493.122
where: short stacking energy: -637.421
Base-Backbone interact. energy: 1.380
local terms energy: -718.154273
where:
bonds (distance) C4'-P energy: -150.142
bonds (distance) P-C4' energy: -123.748
flat angles C4'-P-C4' energy: -172.741
flat angles P-C4'-P energy: -95.090
tors. eta vs tors. theta energy: -176.433
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2171.691042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.691042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.021787 (E_RNA)
where:
Base-Base interactions energy: -1437.861
where: short stacking energy: -604.861
Base-Backbone interact. energy: -4.704
local terms energy: -731.457343
where:
bonds (distance) C4'-P energy: -143.080
bonds (distance) P-C4' energy: -157.969
flat angles C4'-P-C4' energy: -152.220
flat angles P-C4'-P energy: -108.810
tors. eta vs tors. theta energy: -169.379
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: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2020.262317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.262317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.702186 (E_RNA)
where:
Base-Base interactions energy: -1349.683
where: short stacking energy: -563.280
Base-Backbone interact. energy: 2.124
local terms energy: -675.143372
where:
bonds (distance) C4'-P energy: -137.859
bonds (distance) P-C4' energy: -137.896
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -99.163
tors. eta vs tors. theta energy: -155.464
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1913.828397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.828397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.693819 (E_RNA)
where:
Base-Base interactions energy: -1335.248
where: short stacking energy: -552.904
Base-Backbone interact. energy: 5.584
local terms energy: -587.029819
where:
bonds (distance) C4'-P energy: -113.279
bonds (distance) P-C4' energy: -126.155
flat angles C4'-P-C4' energy: -128.339
flat angles P-C4'-P energy: -86.828
tors. eta vs tors. theta energy: -132.429
Dist. restrs. and SS energy: 2.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1861.284151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.284151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.274670 (E_RNA)
where:
Base-Base interactions energy: -1275.701
where: short stacking energy: -545.097
Base-Backbone interact. energy: -0.192
local terms energy: -588.381377
where:
bonds (distance) C4'-P energy: -111.624
bonds (distance) P-C4' energy: -124.784
flat angles C4'-P-C4' energy: -139.557
flat angles P-C4'-P energy: -76.347
tors. eta vs tors. theta energy: -136.069
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: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2758.685349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.685349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.298911 (E_RNA)
where:
Base-Base interactions energy: -1908.130
where: short stacking energy: -815.744
Base-Backbone interact. energy: -3.411
local terms energy: -849.757862
where:
bonds (distance) C4'-P energy: -149.771
bonds (distance) P-C4' energy: -149.734
flat angles C4'-P-C4' energy: -186.505
flat angles P-C4'-P energy: -124.282
tors. eta vs tors. theta energy: -239.465
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: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2659.659503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.659503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.368984 (E_RNA)
where:
Base-Base interactions energy: -1822.385
where: short stacking energy: -799.865
Base-Backbone interact. energy: -3.200
local terms energy: -835.784070
where:
bonds (distance) C4'-P energy: -156.595
bonds (distance) P-C4' energy: -144.722
flat angles C4'-P-C4' energy: -188.450
flat angles P-C4'-P energy: -116.451
tors. eta vs tors. theta energy: -229.566
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: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2571.224027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.224027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.621918 (E_RNA)
where:
Base-Base interactions energy: -1739.496
where: short stacking energy: -766.901
Base-Backbone interact. energy: -0.132
local terms energy: -832.994045
where:
bonds (distance) C4'-P energy: -153.743
bonds (distance) P-C4' energy: -158.537
flat angles C4'-P-C4' energy: -178.964
flat angles P-C4'-P energy: -125.132
tors. eta vs tors. theta energy: -216.619
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2530.043474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.043474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.533355 (E_RNA)
where:
Base-Base interactions energy: -1728.850
where: short stacking energy: -755.997
Base-Backbone interact. energy: -3.352
local terms energy: -799.331805
where:
bonds (distance) C4'-P energy: -140.922
bonds (distance) P-C4' energy: -149.926
flat angles C4'-P-C4' energy: -170.559
flat angles P-C4'-P energy: -111.241
tors. eta vs tors. theta energy: -226.684
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: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2390.335673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.335673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.121672 (E_RNA)
where:
Base-Base interactions energy: -1619.685
where: short stacking energy: -692.902
Base-Backbone interact. energy: 1.189
local terms energy: -774.625050
where:
bonds (distance) C4'-P energy: -150.082
bonds (distance) P-C4' energy: -140.267
flat angles C4'-P-C4' energy: -159.561
flat angles P-C4'-P energy: -127.009
tors. eta vs tors. theta energy: -197.705
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: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2180.871775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.871775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.229589 (E_RNA)
where:
Base-Base interactions energy: -1467.510
where: short stacking energy: -639.632
Base-Backbone interact. energy: -1.247
local terms energy: -714.472970
where:
bonds (distance) C4'-P energy: -136.730
bonds (distance) P-C4' energy: -141.727
flat angles C4'-P-C4' energy: -150.140
flat angles P-C4'-P energy: -97.030
tors. eta vs tors. theta energy: -188.845
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: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2095.838126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.838126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.990902 (E_RNA)
where:
Base-Base interactions energy: -1387.447
where: short stacking energy: -595.990
Base-Backbone interact. energy: -3.135
local terms energy: -708.409009
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -140.840
flat angles C4'-P-C4' energy: -154.934
flat angles P-C4'-P energy: -96.840
tors. eta vs tors. theta energy: -178.033
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2037.709607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.709607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.574885 (E_RNA)
where:
Base-Base interactions energy: -1381.010
where: short stacking energy: -589.633
Base-Backbone interact. energy: -1.813
local terms energy: -658.751868
where:
bonds (distance) C4'-P energy: -117.690
bonds (distance) P-C4' energy: -127.767
flat angles C4'-P-C4' energy: -152.204
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -165.534
Dist. restrs. and SS energy: 3.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1918.525133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.525133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.188235 (E_RNA)
where:
Base-Base interactions energy: -1328.102
where: short stacking energy: -558.176
Base-Backbone interact. energy: 0.702
local terms energy: -593.788268
where:
bonds (distance) C4'-P energy: -117.593
bonds (distance) P-C4' energy: -98.926
flat angles C4'-P-C4' energy: -123.368
flat angles P-C4'-P energy: -110.914
tors. eta vs tors. theta energy: -142.986
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: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1871.626128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.626128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.804761 (E_RNA)
where:
Base-Base interactions energy: -1302.835
where: short stacking energy: -534.609
Base-Backbone interact. energy: -1.180
local terms energy: -570.790057
where:
bonds (distance) C4'-P energy: -115.839
bonds (distance) P-C4' energy: -126.854
flat angles C4'-P-C4' energy: -132.932
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -129.551
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: 99
Temperature: 0.900000
Total energy: -2774.390821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.390821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.710777 (E_RNA)
where:
Base-Base interactions energy: -1894.658
where: short stacking energy: -816.804
Base-Backbone interact. energy: -0.773
local terms energy: -881.279969
where:
bonds (distance) C4'-P energy: -168.034
bonds (distance) P-C4' energy: -177.200
flat angles C4'-P-C4' energy: -170.358
flat angles P-C4'-P energy: -123.391
tors. eta vs tors. theta energy: -242.297
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2660.175174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.175174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.992476 (E_RNA)
where:
Base-Base interactions energy: -1807.756
where: short stacking energy: -780.713
Base-Backbone interact. energy: -2.743
local terms energy: -851.493654
where:
bonds (distance) C4'-P energy: -140.296
bonds (distance) P-C4' energy: -175.708
flat angles C4'-P-C4' energy: -184.785
flat angles P-C4'-P energy: -134.048
tors. eta vs tors. theta energy: -216.656
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2589.949132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.012827 (E_RNA)
where:
Base-Base interactions energy: -1753.807
where: short stacking energy: -743.942
Base-Backbone interact. energy: -0.903
local terms energy: -837.302507
where:
bonds (distance) C4'-P energy: -155.471
bonds (distance) P-C4' energy: -166.892
flat angles C4'-P-C4' energy: -174.068
flat angles P-C4'-P energy: -130.664
tors. eta vs tors. theta energy: -210.207
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: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2474.810022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.810022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.388498 (E_RNA)
where:
Base-Base interactions energy: -1708.610
where: short stacking energy: -706.569
Base-Backbone interact. energy: -1.014
local terms energy: -766.764380
where:
bonds (distance) C4'-P energy: -135.986
bonds (distance) P-C4' energy: -144.964
flat angles C4'-P-C4' energy: -170.996
flat angles P-C4'-P energy: -106.620
tors. eta vs tors. theta energy: -208.198
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: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2374.421652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.421652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.717046 (E_RNA)
where:
Base-Base interactions energy: -1604.109
where: short stacking energy: -695.743
Base-Backbone interact. energy: 0.929
local terms energy: -774.536934
where:
bonds (distance) C4'-P energy: -141.960
bonds (distance) P-C4' energy: -149.065
flat angles C4'-P-C4' energy: -176.755
flat angles P-C4'-P energy: -99.936
tors. eta vs tors. theta energy: -206.821
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2191.995923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.995923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.706960 (E_RNA)
where:
Base-Base interactions energy: -1471.162
where: short stacking energy: -638.636
Base-Backbone interact. energy: 4.164
local terms energy: -728.709423
where:
bonds (distance) C4'-P energy: -137.453
bonds (distance) P-C4' energy: -138.982
flat angles C4'-P-C4' energy: -172.733
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -174.108
Dist. restrs. and SS energy: 3.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2117.559531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.559531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.296431 (E_RNA)
where:
Base-Base interactions energy: -1438.104
where: short stacking energy: -603.059
Base-Backbone interact. energy: 7.426
local terms energy: -688.618832
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -136.253
flat angles C4'-P-C4' energy: -151.363
flat angles P-C4'-P energy: -105.934
tors. eta vs tors. theta energy: -173.437
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: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2025.083384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.083384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.255622 (E_RNA)
where:
Base-Base interactions energy: -1365.195
where: short stacking energy: -575.501
Base-Backbone interact. energy: -2.378
local terms energy: -661.683384
where:
bonds (distance) C4'-P energy: -141.704
bonds (distance) P-C4' energy: -152.524
flat angles C4'-P-C4' energy: -142.881
flat angles P-C4'-P energy: -71.111
tors. eta vs tors. theta energy: -153.463
Dist. restrs. and SS energy: 4.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1951.312859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.312859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.730063 (E_RNA)
where:
Base-Base interactions energy: -1325.368
where: short stacking energy: -554.713
Base-Backbone interact. energy: 5.424
local terms energy: -633.786182
where:
bonds (distance) C4'-P energy: -136.872
bonds (distance) P-C4' energy: -133.176
flat angles C4'-P-C4' energy: -144.546
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -134.527
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1892.986709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.986709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.005137 (E_RNA)
where:
Base-Base interactions energy: -1305.995
where: short stacking energy: -552.280
Base-Backbone interact. energy: -2.436
local terms energy: -587.574344
where:
bonds (distance) C4'-P energy: -120.899
bonds (distance) P-C4' energy: -128.833
flat angles C4'-P-C4' energy: -131.220
flat angles P-C4'-P energy: -73.464
tors. eta vs tors. theta energy: -133.159
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: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2756.886135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.886135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.303368 (E_RNA)
where:
Base-Base interactions energy: -1892.078
where: short stacking energy: -839.625
Base-Backbone interact. energy: -3.783
local terms energy: -863.442090
where:
bonds (distance) C4'-P energy: -162.197
bonds (distance) P-C4' energy: -144.449
flat angles C4'-P-C4' energy: -183.511
flat angles P-C4'-P energy: -135.584
tors. eta vs tors. theta energy: -237.701
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2687.851044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.851044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.186334 (E_RNA)
where:
Base-Base interactions energy: -1817.566
where: short stacking energy: -779.142
Base-Backbone interact. energy: -1.955
local terms energy: -871.665330
where:
bonds (distance) C4'-P energy: -158.510
bonds (distance) P-C4' energy: -174.084
flat angles C4'-P-C4' energy: -179.806
flat angles P-C4'-P energy: -130.945
tors. eta vs tors. theta energy: -228.319
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2593.575163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.575163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.007288 (E_RNA)
where:
Base-Base interactions energy: -1754.936
where: short stacking energy: -769.843
Base-Backbone interact. energy: 0.314
local terms energy: -840.385874
where:
bonds (distance) C4'-P energy: -151.601
bonds (distance) P-C4' energy: -160.124
flat angles C4'-P-C4' energy: -186.933
flat angles P-C4'-P energy: -126.483
tors. eta vs tors. theta energy: -215.246
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2513.536695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.536695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.075137 (E_RNA)
where:
Base-Base interactions energy: -1756.346
where: short stacking energy: -721.769
Base-Backbone interact. energy: -1.150
local terms energy: -758.579272
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -149.663
flat angles C4'-P-C4' energy: -171.983
flat angles P-C4'-P energy: -106.351
tors. eta vs tors. theta energy: -208.021
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2358.792226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.792226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.877046 (E_RNA)
where:
Base-Base interactions energy: -1610.169
where: short stacking energy: -664.438
Base-Backbone interact. energy: -1.945
local terms energy: -749.762807
where:
bonds (distance) C4'-P energy: -137.064
bonds (distance) P-C4' energy: -150.087
flat angles C4'-P-C4' energy: -165.745
flat angles P-C4'-P energy: -104.069
tors. eta vs tors. theta energy: -192.797
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2181.538891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.538891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.653898 (E_RNA)
where:
Base-Base interactions energy: -1482.632
where: short stacking energy: -629.051
Base-Backbone interact. energy: -0.634
local terms energy: -700.388238
where:
bonds (distance) C4'-P energy: -106.493
bonds (distance) P-C4' energy: -155.314
flat angles C4'-P-C4' energy: -169.819
flat angles P-C4'-P energy: -100.404
tors. eta vs tors. theta energy: -168.359
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2107.973281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.973281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.741103 (E_RNA)
where:
Base-Base interactions energy: -1435.407
where: short stacking energy: -620.570
Base-Backbone interact. energy: 2.296
local terms energy: -677.629988
where:
bonds (distance) C4'-P energy: -130.590
bonds (distance) P-C4' energy: -137.359
flat angles C4'-P-C4' energy: -152.300
flat angles P-C4'-P energy: -97.880
tors. eta vs tors. theta energy: -159.501
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: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2012.833786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.833786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.067094 (E_RNA)
where:
Base-Base interactions energy: -1396.478
where: short stacking energy: -581.727
Base-Backbone interact. energy: 8.601
local terms energy: -627.189877
where:
bonds (distance) C4'-P energy: -128.705
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -152.684
flat angles P-C4'-P energy: -85.000
tors. eta vs tors. theta energy: -138.205
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1900.974308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.974308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.308872 (E_RNA)
where:
Base-Base interactions energy: -1293.093
where: short stacking energy: -527.216
Base-Backbone interact. energy: 3.447
local terms energy: -613.662953
where:
bonds (distance) C4'-P energy: -125.538
bonds (distance) P-C4' energy: -147.762
flat angles C4'-P-C4' energy: -123.208
flat angles P-C4'-P energy: -91.496
tors. eta vs tors. theta energy: -125.659
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: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1902.872634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.872634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.141463 (E_RNA)
where:
Base-Base interactions energy: -1313.894
where: short stacking energy: -535.647
Base-Backbone interact. energy: 5.695
local terms energy: -598.941907
where:
bonds (distance) C4'-P energy: -121.768
bonds (distance) P-C4' energy: -122.626
flat angles C4'-P-C4' energy: -135.252
flat angles P-C4'-P energy: -86.307
tors. eta vs tors. theta energy: -132.990
Dist. restrs. and SS energy: 4.269 (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: 101
Temperature: 0.900000
Total energy: -2781.767661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.767661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.381482 (E_RNA)
where:
Base-Base interactions energy: -1909.204
where: short stacking energy: -823.157
Base-Backbone interact. energy: -1.948
local terms energy: -873.229011
where:
bonds (distance) C4'-P energy: -157.370
bonds (distance) P-C4' energy: -159.164
flat angles C4'-P-C4' energy: -191.725
flat angles P-C4'-P energy: -112.478
tors. eta vs tors. theta energy: -252.493
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2690.581806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.581806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.630153 (E_RNA)
where:
Base-Base interactions energy: -1839.351
where: short stacking energy: -791.644
Base-Backbone interact. energy: 1.180
local terms energy: -854.458813
where:
bonds (distance) C4'-P energy: -155.062
bonds (distance) P-C4' energy: -162.746
flat angles C4'-P-C4' energy: -169.567
flat angles P-C4'-P energy: -131.380
tors. eta vs tors. theta energy: -235.704
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: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2565.464058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.464058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.364134 (E_RNA)
where:
Base-Base interactions energy: -1761.954
where: short stacking energy: -754.592
Base-Backbone interact. energy: 9.276
local terms energy: -815.685492
where:
bonds (distance) C4'-P energy: -142.840
bonds (distance) P-C4' energy: -158.487
flat angles C4'-P-C4' energy: -169.598
flat angles P-C4'-P energy: -124.496
tors. eta vs tors. theta energy: -220.265
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: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2497.256399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.256399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.103622 (E_RNA)
where:
Base-Base interactions energy: -1675.616
where: short stacking energy: -739.443
Base-Backbone interact. energy: -4.749
local terms energy: -819.738994
where:
bonds (distance) C4'-P energy: -157.180
bonds (distance) P-C4' energy: -164.638
flat angles C4'-P-C4' energy: -172.155
flat angles P-C4'-P energy: -110.202
tors. eta vs tors. theta energy: -215.564
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2351.757414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.757414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.954974 (E_RNA)
where:
Base-Base interactions energy: -1590.620
where: short stacking energy: -678.622
Base-Backbone interact. energy: 1.948
local terms energy: -765.282975
where:
bonds (distance) C4'-P energy: -143.468
bonds (distance) P-C4' energy: -139.632
flat angles C4'-P-C4' energy: -162.710
flat angles P-C4'-P energy: -125.293
tors. eta vs tors. theta energy: -194.179
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: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2201.580954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.580954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.323301 (E_RNA)
where:
Base-Base interactions energy: -1482.303
where: short stacking energy: -651.772
Base-Backbone interact. energy: -0.214
local terms energy: -721.806465
where:
bonds (distance) C4'-P energy: -113.006
bonds (distance) P-C4' energy: -148.691
flat angles C4'-P-C4' energy: -165.449
flat angles P-C4'-P energy: -114.132
tors. eta vs tors. theta energy: -180.528
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: 101
Temperature: 1.200000
Total energy: -2094.980893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.980893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.665907 (E_RNA)
where:
Base-Base interactions energy: -1438.008
where: short stacking energy: -616.531
Base-Backbone interact. energy: -2.014
local terms energy: -656.643727
where:
bonds (distance) C4'-P energy: -127.058
bonds (distance) P-C4' energy: -124.194
flat angles C4'-P-C4' energy: -145.138
flat angles P-C4'-P energy: -107.228
tors. eta vs tors. theta energy: -153.025
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1995.766203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.766203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.394501 (E_RNA)
where:
Base-Base interactions energy: -1370.370
where: short stacking energy: -592.590
Base-Backbone interact. energy: -2.142
local terms energy: -625.881947
where:
bonds (distance) C4'-P energy: -111.352
bonds (distance) P-C4' energy: -141.437
flat angles C4'-P-C4' energy: -144.733
flat angles P-C4'-P energy: -91.593
tors. eta vs tors. theta energy: -136.766
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1928.430457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.430457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.593879 (E_RNA)
where:
Base-Base interactions energy: -1308.928
where: short stacking energy: -535.555
Base-Backbone interact. energy: -2.453
local terms energy: -618.212899
where:
bonds (distance) C4'-P energy: -134.088
bonds (distance) P-C4' energy: -132.285
flat angles C4'-P-C4' energy: -133.515
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -132.192
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: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1836.453749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.453749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.528641 (E_RNA)
where:
Base-Base interactions energy: -1261.504
where: short stacking energy: -532.906
Base-Backbone interact. energy: 2.785
local terms energy: -584.809391
where:
bonds (distance) C4'-P energy: -108.032
bonds (distance) P-C4' energy: -137.374
flat angles C4'-P-C4' energy: -127.974
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -131.011
Dist. restrs. and SS energy: 7.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2780.567826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.567826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.599976 (E_RNA)
where:
Base-Base interactions energy: -1949.331
where: short stacking energy: -851.288
Base-Backbone interact. energy: -1.936
local terms energy: -831.332457
where:
bonds (distance) C4'-P energy: -141.109
bonds (distance) P-C4' energy: -156.718
flat angles C4'-P-C4' energy: -188.030
flat angles P-C4'-P energy: -93.670
tors. eta vs tors. theta energy: -251.805
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: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2693.714492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.714492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.059382 (E_RNA)
where:
Base-Base interactions energy: -1837.564
where: short stacking energy: -767.997
Base-Backbone interact. energy: -4.805
local terms energy: -853.690183
where:
bonds (distance) C4'-P energy: -157.279
bonds (distance) P-C4' energy: -162.028
flat angles C4'-P-C4' energy: -182.025
flat angles P-C4'-P energy: -127.794
tors. eta vs tors. theta energy: -224.564
Dist. restrs. and SS energy: 2.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2553.278095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.278095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.445260 (E_RNA)
where:
Base-Base interactions energy: -1744.720
where: short stacking energy: -746.113
Base-Backbone interact. energy: 2.267
local terms energy: -813.992271
where:
bonds (distance) C4'-P energy: -158.404
bonds (distance) P-C4' energy: -144.959
flat angles C4'-P-C4' energy: -170.919
flat angles P-C4'-P energy: -121.475
tors. eta vs tors. theta energy: -218.236
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2445.485695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.485695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.766738 (E_RNA)
where:
Base-Base interactions energy: -1657.803
where: short stacking energy: -712.439
Base-Backbone interact. energy: -1.648
local terms energy: -788.315604
where:
bonds (distance) C4'-P energy: -143.161
bonds (distance) P-C4' energy: -144.958
flat angles C4'-P-C4' energy: -160.881
flat angles P-C4'-P energy: -120.898
tors. eta vs tors. theta energy: -218.417
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: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2395.506529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.506529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.143645 (E_RNA)
where:
Base-Base interactions energy: -1626.201
where: short stacking energy: -722.537
Base-Backbone interact. energy: -2.628
local terms energy: -768.314368
where:
bonds (distance) C4'-P energy: -133.850
bonds (distance) P-C4' energy: -154.240
flat angles C4'-P-C4' energy: -155.406
flat angles P-C4'-P energy: -97.812
tors. eta vs tors. theta energy: -227.006
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: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2162.058596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.058596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.409073 (E_RNA)
where:
Base-Base interactions energy: -1473.306
where: short stacking energy: -653.981
Base-Backbone interact. energy: 2.330
local terms energy: -693.432860
where:
bonds (distance) C4'-P energy: -142.761
bonds (distance) P-C4' energy: -124.944
flat angles C4'-P-C4' energy: -137.112
flat angles P-C4'-P energy: -102.766
tors. eta vs tors. theta energy: -185.849
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: 7, replica: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2079.942013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.942013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.048261 (E_RNA)
where:
Base-Base interactions energy: -1374.680
where: short stacking energy: -593.925
Base-Backbone interact. energy: -1.882
local terms energy: -706.485664
where:
bonds (distance) C4'-P energy: -132.529
bonds (distance) P-C4' energy: -143.033
flat angles C4'-P-C4' energy: -158.842
flat angles P-C4'-P energy: -109.833
tors. eta vs tors. theta energy: -162.249
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: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2018.140379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.140379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.184591 (E_RNA)
where:
Base-Base interactions energy: -1376.638
where: short stacking energy: -577.177
Base-Backbone interact. energy: 1.115
local terms energy: -646.662336
where:
bonds (distance) C4'-P energy: -129.127
bonds (distance) P-C4' energy: -111.550
flat angles C4'-P-C4' energy: -157.096
flat angles P-C4'-P energy: -80.832
tors. eta vs tors. theta energy: -168.057
Dist. restrs. and SS energy: 4.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1959.526167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.208780 (E_RNA)
where:
Base-Base interactions energy: -1322.648
where: short stacking energy: -565.773
Base-Backbone interact. energy: 0.995
local terms energy: -641.555510
where:
bonds (distance) C4'-P energy: -138.592
bonds (distance) P-C4' energy: -137.269
flat angles C4'-P-C4' energy: -150.103
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -137.330
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1896.377679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.377679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.260459 (E_RNA)
where:
Base-Base interactions energy: -1290.057
where: short stacking energy: -517.241
Base-Backbone interact. energy: 8.115
local terms energy: -619.318738
where:
bonds (distance) C4'-P energy: -130.141
bonds (distance) P-C4' energy: -145.097
flat angles C4'-P-C4' energy: -129.484
flat angles P-C4'-P energy: -88.428
tors. eta vs tors. theta energy: -126.169
Dist. restrs. and SS energy: 4.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2747.079021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.079021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.861438 (E_RNA)
where:
Base-Base interactions energy: -1867.326
where: short stacking energy: -780.822
Base-Backbone interact. energy: -0.881
local terms energy: -881.654049
where:
bonds (distance) C4'-P energy: -171.687
bonds (distance) P-C4' energy: -162.848
flat angles C4'-P-C4' energy: -189.316
flat angles P-C4'-P energy: -129.506
tors. eta vs tors. theta energy: -228.298
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2665.087327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.087327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.204665 (E_RNA)
where:
Base-Base interactions energy: -1836.917
where: short stacking energy: -769.972
Base-Backbone interact. energy: 4.663
local terms energy: -834.950613
where:
bonds (distance) C4'-P energy: -159.020
bonds (distance) P-C4' energy: -158.495
flat angles C4'-P-C4' energy: -182.323
flat angles P-C4'-P energy: -114.689
tors. eta vs tors. theta energy: -220.423
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: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2580.069051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.069051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.509292 (E_RNA)
where:
Base-Base interactions energy: -1771.716
where: short stacking energy: -773.850
Base-Backbone interact. energy: 0.159
local terms energy: -809.952226
where:
bonds (distance) C4'-P energy: -162.441
bonds (distance) P-C4' energy: -154.738
flat angles C4'-P-C4' energy: -169.810
flat angles P-C4'-P energy: -113.473
tors. eta vs tors. theta energy: -209.489
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: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2495.916136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.916136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.342973 (E_RNA)
where:
Base-Base interactions energy: -1716.461
where: short stacking energy: -726.870
Base-Backbone interact. energy: 5.542
local terms energy: -786.423660
where:
bonds (distance) C4'-P energy: -158.126
bonds (distance) P-C4' energy: -143.606
flat angles C4'-P-C4' energy: -174.842
flat angles P-C4'-P energy: -98.718
tors. eta vs tors. theta energy: -211.132
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2358.566434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.566434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.577536 (E_RNA)
where:
Base-Base interactions energy: -1613.443
where: short stacking energy: -683.623
Base-Backbone interact. energy: -2.691
local terms energy: -744.443262
where:
bonds (distance) C4'-P energy: -142.444
bonds (distance) P-C4' energy: -141.777
flat angles C4'-P-C4' energy: -159.046
flat angles P-C4'-P energy: -108.645
tors. eta vs tors. theta energy: -192.531
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2173.166520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.166520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.396888 (E_RNA)
where:
Base-Base interactions energy: -1468.047
where: short stacking energy: -651.149
Base-Backbone interact. energy: -0.983
local terms energy: -706.366949
where:
bonds (distance) C4'-P energy: -129.202
bonds (distance) P-C4' energy: -141.009
flat angles C4'-P-C4' energy: -155.331
flat angles P-C4'-P energy: -96.167
tors. eta vs tors. theta energy: -184.657
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: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2087.961839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.961839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.261184 (E_RNA)
where:
Base-Base interactions energy: -1431.375
where: short stacking energy: -603.498
Base-Backbone interact. energy: 3.115
local terms energy: -661.000583
where:
bonds (distance) C4'-P energy: -122.584
bonds (distance) P-C4' energy: -113.506
flat angles C4'-P-C4' energy: -171.196
flat angles P-C4'-P energy: -102.105
tors. eta vs tors. theta energy: -151.609
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: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2004.756648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.756648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.745008 (E_RNA)
where:
Base-Base interactions energy: -1343.986
where: short stacking energy: -578.721
Base-Backbone interact. energy: 5.521
local terms energy: -669.279083
where:
bonds (distance) C4'-P energy: -128.800
bonds (distance) P-C4' energy: -132.069
flat angles C4'-P-C4' energy: -153.716
flat angles P-C4'-P energy: -106.898
tors. eta vs tors. theta energy: -147.796
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1928.695829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.695829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.053881 (E_RNA)
where:
Base-Base interactions energy: -1317.548
where: short stacking energy: -555.984
Base-Backbone interact. energy: 0.838
local terms energy: -614.344145
where:
bonds (distance) C4'-P energy: -126.986
bonds (distance) P-C4' energy: -126.763
flat angles C4'-P-C4' energy: -132.741
flat angles P-C4'-P energy: -69.953
tors. eta vs tors. theta energy: -157.900
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1871.190452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.190452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.699793 (E_RNA)
where:
Base-Base interactions energy: -1300.307
where: short stacking energy: -541.787
Base-Backbone interact. energy: 5.195
local terms energy: -581.587100
where:
bonds (distance) C4'-P energy: -124.897
bonds (distance) P-C4' energy: -131.184
flat angles C4'-P-C4' energy: -115.849
flat angles P-C4'-P energy: -72.581
tors. eta vs tors. theta energy: -137.076
Dist. restrs. and SS energy: 5.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2759.010388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.010388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.439141 (E_RNA)
where:
Base-Base interactions energy: -1880.973
where: short stacking energy: -806.260
Base-Backbone interact. energy: -2.564
local terms energy: -878.902559
where:
bonds (distance) C4'-P energy: -161.094
bonds (distance) P-C4' energy: -178.052
flat angles C4'-P-C4' energy: -172.833
flat angles P-C4'-P energy: -129.610
tors. eta vs tors. theta energy: -237.313
Dist. restrs. and SS energy: 3.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2658.917496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.917496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.535209 (E_RNA)
where:
Base-Base interactions energy: -1822.868
where: short stacking energy: -770.911
Base-Backbone interact. energy: -1.693
local terms energy: -835.974278
where:
bonds (distance) C4'-P energy: -149.714
bonds (distance) P-C4' energy: -167.911
flat angles C4'-P-C4' energy: -171.595
flat angles P-C4'-P energy: -124.361
tors. eta vs tors. theta energy: -222.393
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: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2553.064595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.064595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.129590 (E_RNA)
where:
Base-Base interactions energy: -1753.407
where: short stacking energy: -744.501
Base-Backbone interact. energy: 1.404
local terms energy: -802.126692
where:
bonds (distance) C4'-P energy: -147.020
bonds (distance) P-C4' energy: -169.951
flat angles C4'-P-C4' energy: -172.223
flat angles P-C4'-P energy: -93.592
tors. eta vs tors. theta energy: -219.341
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: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2462.840629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.840629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.269239 (E_RNA)
where:
Base-Base interactions energy: -1655.170
where: short stacking energy: -722.031
Base-Backbone interact. energy: -5.152
local terms energy: -804.947049
where:
bonds (distance) C4'-P energy: -148.659
bonds (distance) P-C4' energy: -157.400
flat angles C4'-P-C4' energy: -177.322
flat angles P-C4'-P energy: -112.166
tors. eta vs tors. theta energy: -209.400
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2355.929680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.929680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.314672 (E_RNA)
where:
Base-Base interactions energy: -1615.453
where: short stacking energy: -700.898
Base-Backbone interact. energy: -1.066
local terms energy: -742.795418
where:
bonds (distance) C4'-P energy: -151.969
bonds (distance) P-C4' energy: -131.296
flat angles C4'-P-C4' energy: -169.480
flat angles P-C4'-P energy: -106.699
tors. eta vs tors. theta energy: -183.351
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: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2191.486637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.486637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.311251 (E_RNA)
where:
Base-Base interactions energy: -1492.278
where: short stacking energy: -653.870
Base-Backbone interact. energy: 3.362
local terms energy: -704.395481
where:
bonds (distance) C4'-P energy: -136.629
bonds (distance) P-C4' energy: -141.035
flat angles C4'-P-C4' energy: -153.574
flat angles P-C4'-P energy: -93.044
tors. eta vs tors. theta energy: -180.113
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: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2122.022763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.022763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.266405 (E_RNA)
where:
Base-Base interactions energy: -1401.298
where: short stacking energy: -613.922
Base-Backbone interact. energy: -3.889
local terms energy: -719.079092
where:
bonds (distance) C4'-P energy: -136.596
bonds (distance) P-C4' energy: -149.936
flat angles C4'-P-C4' energy: -145.941
flat angles P-C4'-P energy: -116.641
tors. eta vs tors. theta energy: -169.965
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: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -2048.886935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.886935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.681693 (E_RNA)
where:
Base-Base interactions energy: -1376.620
where: short stacking energy: -575.707
Base-Backbone interact. energy: -2.411
local terms energy: -671.650981
where:
bonds (distance) C4'-P energy: -149.897
bonds (distance) P-C4' energy: -120.368
flat angles C4'-P-C4' energy: -148.343
flat angles P-C4'-P energy: -86.537
tors. eta vs tors. theta energy: -166.505
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: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1913.594003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.594003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.293697 (E_RNA)
where:
Base-Base interactions energy: -1296.199
where: short stacking energy: -554.560
Base-Backbone interact. energy: 0.207
local terms energy: -620.301103
where:
bonds (distance) C4'-P energy: -124.603
bonds (distance) P-C4' energy: -119.945
flat angles C4'-P-C4' energy: -121.972
flat angles P-C4'-P energy: -97.277
tors. eta vs tors. theta energy: -156.503
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: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1849.937538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.937538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.416485 (E_RNA)
where:
Base-Base interactions energy: -1265.340
where: short stacking energy: -545.642
Base-Backbone interact. energy: 1.068
local terms energy: -588.144505
where:
bonds (distance) C4'-P energy: -120.403
bonds (distance) P-C4' energy: -133.068
flat angles C4'-P-C4' energy: -136.368
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: -133.729
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: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2775.119232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.119232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.546543 (E_RNA)
where:
Base-Base interactions energy: -1897.852
where: short stacking energy: -812.717
Base-Backbone interact. energy: -0.713
local terms energy: -878.981212
where:
bonds (distance) C4'-P energy: -163.908
bonds (distance) P-C4' energy: -164.660
flat angles C4'-P-C4' energy: -191.317
flat angles P-C4'-P energy: -123.980
tors. eta vs tors. theta energy: -235.116
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: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2706.796073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.796073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.605290 (E_RNA)
where:
Base-Base interactions energy: -1859.137
where: short stacking energy: -805.436
Base-Backbone interact. energy: -3.784
local terms energy: -845.684454
where:
bonds (distance) C4'-P energy: -164.681
bonds (distance) P-C4' energy: -144.305
flat angles C4'-P-C4' energy: -174.954
flat angles P-C4'-P energy: -114.403
tors. eta vs tors. theta energy: -247.341
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2569.322457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.322457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.511930 (E_RNA)
where:
Base-Base interactions energy: -1755.071
where: short stacking energy: -759.969
Base-Backbone interact. energy: 1.854
local terms energy: -818.294172
where:
bonds (distance) C4'-P energy: -163.037
bonds (distance) P-C4' energy: -153.102
flat angles C4'-P-C4' energy: -170.082
flat angles P-C4'-P energy: -114.496
tors. eta vs tors. theta energy: -217.578
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2467.444809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.444809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.074618 (E_RNA)
where:
Base-Base interactions energy: -1672.450
where: short stacking energy: -738.439
Base-Backbone interact. energy: 2.942
local terms energy: -801.566841
where:
bonds (distance) C4'-P energy: -150.800
bonds (distance) P-C4' energy: -158.762
flat angles C4'-P-C4' energy: -166.629
flat angles P-C4'-P energy: -114.371
tors. eta vs tors. theta energy: -211.005
Dist. restrs. and SS energy: 3.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2356.770863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.770863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.666932 (E_RNA)
where:
Base-Base interactions energy: -1615.425
where: short stacking energy: -701.281
Base-Backbone interact. energy: -1.505
local terms energy: -741.737297
where:
bonds (distance) C4'-P energy: -130.845
bonds (distance) P-C4' energy: -136.804
flat angles C4'-P-C4' energy: -161.139
flat angles P-C4'-P energy: -99.915
tors. eta vs tors. theta energy: -213.033
Dist. restrs. and SS energy: 1.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2144.480674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.480674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.927950 (E_RNA)
where:
Base-Base interactions energy: -1440.931
where: short stacking energy: -621.570
Base-Backbone interact. energy: -0.137
local terms energy: -704.860422
where:
bonds (distance) C4'-P energy: -153.543
bonds (distance) P-C4' energy: -134.086
flat angles C4'-P-C4' energy: -152.424
flat angles P-C4'-P energy: -104.479
tors. eta vs tors. theta energy: -160.328
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: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2123.962361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.962361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.998706 (E_RNA)
where:
Base-Base interactions energy: -1394.579
where: short stacking energy: -619.751
Base-Backbone interact. energy: -3.726
local terms energy: -728.694032
where:
bonds (distance) C4'-P energy: -140.056
bonds (distance) P-C4' energy: -150.393
flat angles C4'-P-C4' energy: -164.279
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -176.466
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1969.173770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.708566 (E_RNA)
where:
Base-Base interactions energy: -1333.351
where: short stacking energy: -567.703
Base-Backbone interact. energy: -0.623
local terms energy: -636.735333
where:
bonds (distance) C4'-P energy: -119.453
bonds (distance) P-C4' energy: -128.552
flat angles C4'-P-C4' energy: -144.554
flat angles P-C4'-P energy: -104.573
tors. eta vs tors. theta energy: -139.603
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: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1899.287092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.287092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.788294 (E_RNA)
where:
Base-Base interactions energy: -1257.320
where: short stacking energy: -547.959
Base-Backbone interact. energy: 2.822
local terms energy: -648.290181
where:
bonds (distance) C4'-P energy: -151.108
bonds (distance) P-C4' energy: -153.123
flat angles C4'-P-C4' energy: -140.001
flat angles P-C4'-P energy: -74.179
tors. eta vs tors. theta energy: -129.879
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: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1841.737962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.737962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.669590 (E_RNA)
where:
Base-Base interactions energy: -1277.530
where: short stacking energy: -545.867
Base-Backbone interact. energy: 5.688
local terms energy: -572.826994
where:
bonds (distance) C4'-P energy: -117.890
bonds (distance) P-C4' energy: -127.255
flat angles C4'-P-C4' energy: -135.530
flat angles P-C4'-P energy: -62.180
tors. eta vs tors. theta energy: -129.971
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: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2779.322261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.322261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.108574 (E_RNA)
where:
Base-Base interactions energy: -1871.380
where: short stacking energy: -822.375
Base-Backbone interact. energy: -2.280
local terms energy: -908.448733
where:
bonds (distance) C4'-P energy: -174.025
bonds (distance) P-C4' energy: -174.314
flat angles C4'-P-C4' energy: -190.685
flat angles P-C4'-P energy: -135.702
tors. eta vs tors. theta energy: -233.724
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2655.024429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.024429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.180644 (E_RNA)
where:
Base-Base interactions energy: -1826.543
where: short stacking energy: -778.555
Base-Backbone interact. energy: -4.311
local terms energy: -827.326921
where:
bonds (distance) C4'-P energy: -160.386
bonds (distance) P-C4' energy: -142.825
flat angles C4'-P-C4' energy: -176.441
flat angles P-C4'-P energy: -116.661
tors. eta vs tors. theta energy: -231.014
Dist. restrs. and SS energy: 3.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2586.464879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.464879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.717315 (E_RNA)
where:
Base-Base interactions energy: -1764.818
where: short stacking energy: -771.128
Base-Backbone interact. energy: -1.968
local terms energy: -820.931789
where:
bonds (distance) C4'-P energy: -145.594
bonds (distance) P-C4' energy: -162.418
flat angles C4'-P-C4' energy: -179.728
flat angles P-C4'-P energy: -104.796
tors. eta vs tors. theta energy: -228.397
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: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2528.155712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.155712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.991909 (E_RNA)
where:
Base-Base interactions energy: -1758.097
where: short stacking energy: -755.080
Base-Backbone interact. energy: -0.600
local terms energy: -771.295019
where:
bonds (distance) C4'-P energy: -144.836
bonds (distance) P-C4' energy: -135.607
flat angles C4'-P-C4' energy: -167.274
flat angles P-C4'-P energy: -107.114
tors. eta vs tors. theta energy: -216.464
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2377.239849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.239849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.999841 (E_RNA)
where:
Base-Base interactions energy: -1597.023
where: short stacking energy: -700.234
Base-Backbone interact. energy: -2.081
local terms energy: -780.895811
where:
bonds (distance) C4'-P energy: -140.901
bonds (distance) P-C4' energy: -148.117
flat angles C4'-P-C4' energy: -173.369
flat angles P-C4'-P energy: -117.891
tors. eta vs tors. theta energy: -200.618
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: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2139.668585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.668585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.891649 (E_RNA)
where:
Base-Base interactions energy: -1410.259
where: short stacking energy: -599.937
Base-Backbone interact. energy: 1.857
local terms energy: -733.490031
where:
bonds (distance) C4'-P energy: -144.461
bonds (distance) P-C4' energy: -148.582
flat angles C4'-P-C4' energy: -161.834
flat angles P-C4'-P energy: -109.975
tors. eta vs tors. theta energy: -168.638
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2040.834855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.834855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.719027 (E_RNA)
where:
Base-Base interactions energy: -1369.648
where: short stacking energy: -567.989
Base-Backbone interact. energy: -1.308
local terms energy: -671.763310
where:
bonds (distance) C4'-P energy: -135.023
bonds (distance) P-C4' energy: -145.645
flat angles C4'-P-C4' energy: -157.493
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -156.983
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: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2005.762273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.762273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.430471 (E_RNA)
where:
Base-Base interactions energy: -1356.466
where: short stacking energy: -553.878
Base-Backbone interact. energy: 0.097
local terms energy: -651.060606
where:
bonds (distance) C4'-P energy: -134.124
bonds (distance) P-C4' energy: -149.329
flat angles C4'-P-C4' energy: -143.364
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -135.419
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: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1916.223555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.223555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.864258 (E_RNA)
where:
Base-Base interactions energy: -1310.379
where: short stacking energy: -559.692
Base-Backbone interact. energy: 5.615
local terms energy: -616.100623
where:
bonds (distance) C4'-P energy: -131.664
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -139.063
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -137.734
Dist. restrs. and SS energy: 4.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1871.509699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.509699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.117947 (E_RNA)
where:
Base-Base interactions energy: -1278.274
where: short stacking energy: -514.853
Base-Backbone interact. energy: 5.728
local terms energy: -601.572364
where:
bonds (distance) C4'-P energy: -136.552
bonds (distance) P-C4' energy: -117.693
flat angles C4'-P-C4' energy: -142.943
flat angles P-C4'-P energy: -75.506
tors. eta vs tors. theta energy: -128.879
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: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2811.694476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.694476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.223247 (E_RNA)
where:
Base-Base interactions energy: -1944.169
where: short stacking energy: -836.166
Base-Backbone interact. energy: -2.853
local terms energy: -867.201609
where:
bonds (distance) C4'-P energy: -153.443
bonds (distance) P-C4' energy: -152.242
flat angles C4'-P-C4' energy: -181.810
flat angles P-C4'-P energy: -132.660
tors. eta vs tors. theta energy: -247.047
Dist. restrs. and SS energy: 2.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2628.833131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.833131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.170740 (E_RNA)
where:
Base-Base interactions energy: -1771.248
where: short stacking energy: -779.412
Base-Backbone interact. energy: -0.749
local terms energy: -859.174223
where:
bonds (distance) C4'-P energy: -155.769
bonds (distance) P-C4' energy: -175.734
flat angles C4'-P-C4' energy: -188.755
flat angles P-C4'-P energy: -117.671
tors. eta vs tors. theta energy: -221.246
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2528.597943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.597943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.947983 (E_RNA)
where:
Base-Base interactions energy: -1698.254
where: short stacking energy: -762.007
Base-Backbone interact. energy: -1.236
local terms energy: -831.457341
where:
bonds (distance) C4'-P energy: -153.798
bonds (distance) P-C4' energy: -163.872
flat angles C4'-P-C4' energy: -181.045
flat angles P-C4'-P energy: -112.605
tors. eta vs tors. theta energy: -220.137
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2590.033902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.033902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.402907 (E_RNA)
where:
Base-Base interactions energy: -1739.836
where: short stacking energy: -745.383
Base-Backbone interact. energy: -2.826
local terms energy: -849.740395
where:
bonds (distance) C4'-P energy: -167.707
bonds (distance) P-C4' energy: -152.694
flat angles C4'-P-C4' energy: -180.815
flat angles P-C4'-P energy: -127.371
tors. eta vs tors. theta energy: -221.153
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2383.741090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.741090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.173207 (E_RNA)
where:
Base-Base interactions energy: -1617.552
where: short stacking energy: -685.023
Base-Backbone interact. energy: 6.078
local terms energy: -775.698593
where:
bonds (distance) C4'-P energy: -141.907
bonds (distance) P-C4' energy: -142.800
flat angles C4'-P-C4' energy: -176.692
flat angles P-C4'-P energy: -110.575
tors. eta vs tors. theta energy: -203.724
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2203.723009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.723009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.649294 (E_RNA)
where:
Base-Base interactions energy: -1525.435
where: short stacking energy: -661.957
Base-Backbone interact. energy: 6.960
local terms energy: -687.174038
where:
bonds (distance) C4'-P energy: -142.412
bonds (distance) P-C4' energy: -133.913
flat angles C4'-P-C4' energy: -158.714
flat angles P-C4'-P energy: -92.859
tors. eta vs tors. theta energy: -159.277
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: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2052.411144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.411144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.747122 (E_RNA)
where:
Base-Base interactions energy: -1379.067
where: short stacking energy: -587.552
Base-Backbone interact. energy: -2.666
local terms energy: -673.014100
where:
bonds (distance) C4'-P energy: -141.585
bonds (distance) P-C4' energy: -136.000
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -82.698
tors. eta vs tors. theta energy: -148.454
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: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2004.616221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.616221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.534947 (E_RNA)
where:
Base-Base interactions energy: -1337.254
where: short stacking energy: -543.501
Base-Backbone interact. energy: 0.682
local terms energy: -669.963120
where:
bonds (distance) C4'-P energy: -119.125
bonds (distance) P-C4' energy: -141.268
flat angles C4'-P-C4' energy: -169.310
flat angles P-C4'-P energy: -90.763
tors. eta vs tors. theta energy: -149.498
Dist. restrs. and SS energy: 1.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1940.750658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.750658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.843394 (E_RNA)
where:
Base-Base interactions energy: -1316.057
where: short stacking energy: -585.536
Base-Backbone interact. energy: -2.355
local terms energy: -626.431558
where:
bonds (distance) C4'-P energy: -124.487
bonds (distance) P-C4' energy: -136.052
flat angles C4'-P-C4' energy: -139.374
flat angles P-C4'-P energy: -79.328
tors. eta vs tors. theta energy: -147.190
Dist. restrs. and SS energy: 4.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1858.638732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.638732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.758646 (E_RNA)
where:
Base-Base interactions energy: -1268.680
where: short stacking energy: -546.089
Base-Backbone interact. energy: 4.751
local terms energy: -599.830093
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -131.809
flat angles C4'-P-C4' energy: -142.942
flat angles P-C4'-P energy: -88.348
tors. eta vs tors. theta energy: -124.988
Dist. restrs. and SS energy: 5.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2761.347414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.347414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.851989 (E_RNA)
where:
Base-Base interactions energy: -1898.197
where: short stacking energy: -817.835
Base-Backbone interact. energy: -2.697
local terms energy: -861.958333
where:
bonds (distance) C4'-P energy: -142.324
bonds (distance) P-C4' energy: -156.868
flat angles C4'-P-C4' energy: -190.874
flat angles P-C4'-P energy: -123.698
tors. eta vs tors. theta energy: -248.195
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: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2654.815577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.815577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.789743 (E_RNA)
where:
Base-Base interactions energy: -1840.853
where: short stacking energy: -799.356
Base-Backbone interact. energy: -0.125
local terms energy: -814.812624
where:
bonds (distance) C4'-P energy: -160.373
bonds (distance) P-C4' energy: -141.980
flat angles C4'-P-C4' energy: -168.736
flat angles P-C4'-P energy: -118.383
tors. eta vs tors. theta energy: -225.340
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: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2599.607529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.607529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.240378 (E_RNA)
where:
Base-Base interactions energy: -1770.075
where: short stacking energy: -751.634
Base-Backbone interact. energy: -2.840
local terms energy: -828.325676
where:
bonds (distance) C4'-P energy: -158.070
bonds (distance) P-C4' energy: -157.231
flat angles C4'-P-C4' energy: -172.573
flat angles P-C4'-P energy: -115.922
tors. eta vs tors. theta energy: -224.529
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2522.398316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.398316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.681437 (E_RNA)
where:
Base-Base interactions energy: -1719.008
where: short stacking energy: -729.697
Base-Backbone interact. energy: 2.310
local terms energy: -806.983885
where:
bonds (distance) C4'-P energy: -138.533
bonds (distance) P-C4' energy: -153.217
flat angles C4'-P-C4' energy: -175.512
flat angles P-C4'-P energy: -112.705
tors. eta vs tors. theta energy: -227.018
Dist. restrs. and SS energy: 1.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2370.273572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.273572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.895868 (E_RNA)
where:
Base-Base interactions energy: -1623.061
where: short stacking energy: -696.255
Base-Backbone interact. energy: 2.201
local terms energy: -751.036241
where:
bonds (distance) C4'-P energy: -138.824
bonds (distance) P-C4' energy: -133.262
flat angles C4'-P-C4' energy: -167.825
flat angles P-C4'-P energy: -106.376
tors. eta vs tors. theta energy: -204.748
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: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2216.220590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.220590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.817914 (E_RNA)
where:
Base-Base interactions energy: -1498.505
where: short stacking energy: -645.407
Base-Backbone interact. energy: 0.430
local terms energy: -719.743372
where:
bonds (distance) C4'-P energy: -135.330
bonds (distance) P-C4' energy: -146.335
flat angles C4'-P-C4' energy: -161.933
flat angles P-C4'-P energy: -103.789
tors. eta vs tors. theta energy: -172.356
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: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2085.711853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.711853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.235899 (E_RNA)
where:
Base-Base interactions energy: -1413.757
where: short stacking energy: -583.122
Base-Backbone interact. energy: 0.388
local terms energy: -674.866082
where:
bonds (distance) C4'-P energy: -138.045
bonds (distance) P-C4' energy: -152.647
flat angles C4'-P-C4' energy: -148.333
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -141.619
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: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2010.960760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.960760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.838168 (E_RNA)
where:
Base-Base interactions energy: -1338.030
where: short stacking energy: -562.479
Base-Backbone interact. energy: -1.327
local terms energy: -675.480935
where:
bonds (distance) C4'-P energy: -119.496
bonds (distance) P-C4' energy: -131.085
flat angles C4'-P-C4' energy: -161.505
flat angles P-C4'-P energy: -98.881
tors. eta vs tors. theta energy: -164.514
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1918.763143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.763143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.531010 (E_RNA)
where:
Base-Base interactions energy: -1329.143
where: short stacking energy: -541.739
Base-Backbone interact. energy: 8.871
local terms energy: -602.258530
where:
bonds (distance) C4'-P energy: -116.826
bonds (distance) P-C4' energy: -118.098
flat angles C4'-P-C4' energy: -137.066
flat angles P-C4'-P energy: -94.219
tors. eta vs tors. theta energy: -136.049
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1885.475175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.475175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.135667 (E_RNA)
where:
Base-Base interactions energy: -1284.425
where: short stacking energy: -528.099
Base-Backbone interact. energy: 2.004
local terms energy: -606.714395
where:
bonds (distance) C4'-P energy: -135.142
bonds (distance) P-C4' energy: -128.655
flat angles C4'-P-C4' energy: -135.955
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -131.842
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2769.412794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.412794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.786194 (E_RNA)
where:
Base-Base interactions energy: -1872.250
where: short stacking energy: -812.967
Base-Backbone interact. energy: -0.372
local terms energy: -899.164110
where:
bonds (distance) C4'-P energy: -170.889
bonds (distance) P-C4' energy: -171.708
flat angles C4'-P-C4' energy: -180.158
flat angles P-C4'-P energy: -133.610
tors. eta vs tors. theta energy: -242.800
Dist. restrs. and SS energy: 2.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2650.840154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.840154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.471176 (E_RNA)
where:
Base-Base interactions energy: -1783.056
where: short stacking energy: -782.843
Base-Backbone interact. energy: -0.356
local terms energy: -869.059464
where:
bonds (distance) C4'-P energy: -167.088
bonds (distance) P-C4' energy: -160.848
flat angles C4'-P-C4' energy: -186.470
flat angles P-C4'-P energy: -123.227
tors. eta vs tors. theta energy: -231.427
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: 109
Temperature: 1.000000
Total energy: -2584.262506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.262506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.902101 (E_RNA)
where:
Base-Base interactions energy: -1750.041
where: short stacking energy: -760.229
Base-Backbone interact. energy: 1.066
local terms energy: -836.926988
where:
bonds (distance) C4'-P energy: -146.995
bonds (distance) P-C4' energy: -161.683
flat angles C4'-P-C4' energy: -189.354
flat angles P-C4'-P energy: -123.794
tors. eta vs tors. theta energy: -215.101
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: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2518.293760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.293760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.498225 (E_RNA)
where:
Base-Base interactions energy: -1714.424
where: short stacking energy: -727.065
Base-Backbone interact. energy: 4.601
local terms energy: -809.675466
where:
bonds (distance) C4'-P energy: -140.066
bonds (distance) P-C4' energy: -168.687
flat angles C4'-P-C4' energy: -171.852
flat angles P-C4'-P energy: -118.928
tors. eta vs tors. theta energy: -210.142
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2331.264823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.264823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.269962 (E_RNA)
where:
Base-Base interactions energy: -1592.485
where: short stacking energy: -695.551
Base-Backbone interact. energy: 4.015
local terms energy: -745.799498
where:
bonds (distance) C4'-P energy: -136.843
bonds (distance) P-C4' energy: -153.383
flat angles C4'-P-C4' energy: -160.281
flat angles P-C4'-P energy: -107.584
tors. eta vs tors. theta energy: -187.709
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: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2175.084915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.084915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.280892 (E_RNA)
where:
Base-Base interactions energy: -1463.840
where: short stacking energy: -657.376
Base-Backbone interact. energy: -2.536
local terms energy: -710.905448
where:
bonds (distance) C4'-P energy: -128.561
bonds (distance) P-C4' energy: -149.300
flat angles C4'-P-C4' energy: -166.736
flat angles P-C4'-P energy: -93.367
tors. eta vs tors. theta energy: -172.941
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: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2043.100224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.100224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.391925 (E_RNA)
where:
Base-Base interactions energy: -1376.199
where: short stacking energy: -600.963
Base-Backbone interact. energy: -0.406
local terms energy: -669.787095
where:
bonds (distance) C4'-P energy: -124.051
bonds (distance) P-C4' energy: -138.114
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -95.279
tors. eta vs tors. theta energy: -155.616
Dist. restrs. and SS energy: 3.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1968.872687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.872687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.509527 (E_RNA)
where:
Base-Base interactions energy: -1315.905
where: short stacking energy: -545.834
Base-Backbone interact. energy: 8.294
local terms energy: -664.898338
where:
bonds (distance) C4'-P energy: -134.642
bonds (distance) P-C4' energy: -143.115
flat angles C4'-P-C4' energy: -146.178
flat angles P-C4'-P energy: -98.578
tors. eta vs tors. theta energy: -142.385
Dist. restrs. and SS energy: 3.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1921.217004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.217004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.899988 (E_RNA)
where:
Base-Base interactions energy: -1356.246
where: short stacking energy: -567.618
Base-Backbone interact. energy: 1.242
local terms energy: -570.896291
where:
bonds (distance) C4'-P energy: -102.952
bonds (distance) P-C4' energy: -138.153
flat angles C4'-P-C4' energy: -122.056
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -138.099
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1860.864961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.864961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.153388 (E_RNA)
where:
Base-Base interactions energy: -1269.351
where: short stacking energy: -537.813
Base-Backbone interact. energy: 1.931
local terms energy: -597.733962
where:
bonds (distance) C4'-P energy: -127.800
bonds (distance) P-C4' energy: -138.995
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -68.479
tors. eta vs tors. theta energy: -142.094
Dist. restrs. and SS energy: 4.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2763.892317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.892317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.602898 (E_RNA)
where:
Base-Base interactions energy: -1896.063
where: short stacking energy: -853.324
Base-Backbone interact. energy: -3.792
local terms energy: -866.747514
where:
bonds (distance) C4'-P energy: -161.915
bonds (distance) P-C4' energy: -154.764
flat angles C4'-P-C4' energy: -181.043
flat angles P-C4'-P energy: -120.529
tors. eta vs tors. theta energy: -248.497
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2677.490391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.490391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.553741 (E_RNA)
where:
Base-Base interactions energy: -1826.692
where: short stacking energy: -788.196
Base-Backbone interact. energy: -4.351
local terms energy: -847.509815
where:
bonds (distance) C4'-P energy: -148.695
bonds (distance) P-C4' energy: -158.338
flat angles C4'-P-C4' energy: -190.923
flat angles P-C4'-P energy: -112.361
tors. eta vs tors. theta energy: -237.193
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2558.762139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.762139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.562324 (E_RNA)
where:
Base-Base interactions energy: -1733.281
where: short stacking energy: -745.681
Base-Backbone interact. energy: -4.809
local terms energy: -822.473287
where:
bonds (distance) C4'-P energy: -153.584
bonds (distance) P-C4' energy: -163.503
flat angles C4'-P-C4' energy: -168.923
flat angles P-C4'-P energy: -113.243
tors. eta vs tors. theta energy: -223.221
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2436.182255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.182255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.329021 (E_RNA)
where:
Base-Base interactions energy: -1619.814
where: short stacking energy: -699.635
Base-Backbone interact. energy: -2.197
local terms energy: -815.318257
where:
bonds (distance) C4'-P energy: -157.553
bonds (distance) P-C4' energy: -161.528
flat angles C4'-P-C4' energy: -183.272
flat angles P-C4'-P energy: -112.134
tors. eta vs tors. theta energy: -200.832
Dist. restrs. and SS energy: 1.147 (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: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2316.624968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.624968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.989961 (E_RNA)
where:
Base-Base interactions energy: -1590.887
where: short stacking energy: -702.252
Base-Backbone interact. energy: 0.514
local terms energy: -727.616959
where:
bonds (distance) C4'-P energy: -151.310
bonds (distance) P-C4' energy: -139.244
flat angles C4'-P-C4' energy: -164.704
flat angles P-C4'-P energy: -83.926
tors. eta vs tors. theta energy: -188.432
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: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2127.394675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.648498 (E_RNA)
where:
Base-Base interactions energy: -1437.892
where: short stacking energy: -610.031
Base-Backbone interact. energy: 2.077
local terms energy: -693.833955
where:
bonds (distance) C4'-P energy: -143.720
bonds (distance) P-C4' energy: -138.534
flat angles C4'-P-C4' energy: -145.339
flat angles P-C4'-P energy: -93.590
tors. eta vs tors. theta energy: -172.650
Dist. restrs. and SS energy: 2.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2042.538809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.538809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.019547 (E_RNA)
where:
Base-Base interactions energy: -1378.370
where: short stacking energy: -585.818
Base-Backbone interact. energy: -2.495
local terms energy: -664.154123
where:
bonds (distance) C4'-P energy: -140.832
bonds (distance) P-C4' energy: -138.061
flat angles C4'-P-C4' energy: -143.787
flat angles P-C4'-P energy: -106.130
tors. eta vs tors. theta energy: -135.343
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: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2001.929624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.929624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.970304 (E_RNA)
where:
Base-Base interactions energy: -1377.224
where: short stacking energy: -567.821
Base-Backbone interact. energy: 5.147
local terms energy: -631.893497
where:
bonds (distance) C4'-P energy: -134.977
bonds (distance) P-C4' energy: -133.400
flat angles C4'-P-C4' energy: -140.804
flat angles P-C4'-P energy: -88.030
tors. eta vs tors. theta energy: -134.682
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: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1933.521076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.521076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.428210 (E_RNA)
where:
Base-Base interactions energy: -1297.811
where: short stacking energy: -547.878
Base-Backbone interact. energy: -2.213
local terms energy: -639.404262
where:
bonds (distance) C4'-P energy: -106.201
bonds (distance) P-C4' energy: -149.455
flat angles C4'-P-C4' energy: -143.817
flat angles P-C4'-P energy: -96.868
tors. eta vs tors. theta energy: -143.064
Dist. restrs. and SS energy: 5.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1833.518857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.518857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.843962 (E_RNA)
where:
Base-Base interactions energy: -1250.020
where: short stacking energy: -509.391
Base-Backbone interact. energy: -2.173
local terms energy: -583.650683
where:
bonds (distance) C4'-P energy: -118.855
bonds (distance) P-C4' energy: -135.793
flat angles C4'-P-C4' energy: -131.011
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -125.774
Dist. restrs. and SS energy: 2.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2719.007319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.007319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.797685 (E_RNA)
where:
Base-Base interactions energy: -1844.091
where: short stacking energy: -807.792
Base-Backbone interact. energy: 0.829
local terms energy: -878.535774
where:
bonds (distance) C4'-P energy: -151.767
bonds (distance) P-C4' energy: -179.824
flat angles C4'-P-C4' energy: -181.817
flat angles P-C4'-P energy: -126.407
tors. eta vs tors. theta energy: -238.720
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2648.992053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.992053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.227594 (E_RNA)
where:
Base-Base interactions energy: -1797.176
where: short stacking energy: -775.509
Base-Backbone interact. energy: -2.581
local terms energy: -850.470274
where:
bonds (distance) C4'-P energy: -148.761
bonds (distance) P-C4' energy: -166.896
flat angles C4'-P-C4' energy: -176.272
flat angles P-C4'-P energy: -129.629
tors. eta vs tors. theta energy: -228.912
Dist. restrs. and SS energy: 1.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2620.673440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.673440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.024301 (E_RNA)
where:
Base-Base interactions energy: -1806.122
where: short stacking energy: -748.815
Base-Backbone interact. energy: 4.197
local terms energy: -820.099780
where:
bonds (distance) C4'-P energy: -151.962
bonds (distance) P-C4' energy: -155.166
flat angles C4'-P-C4' energy: -173.657
flat angles P-C4'-P energy: -122.137
tors. eta vs tors. theta energy: -217.178
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: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2401.500034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.500034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.861747 (E_RNA)
where:
Base-Base interactions energy: -1645.442
where: short stacking energy: -721.225
Base-Backbone interact. energy: -3.709
local terms energy: -753.710555
where:
bonds (distance) C4'-P energy: -118.739
bonds (distance) P-C4' energy: -157.328
flat angles C4'-P-C4' energy: -162.734
flat angles P-C4'-P energy: -119.346
tors. eta vs tors. theta energy: -195.564
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: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2360.070075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.070075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.948431 (E_RNA)
where:
Base-Base interactions energy: -1607.775
where: short stacking energy: -695.858
Base-Backbone interact. energy: 0.056
local terms energy: -754.230355
where:
bonds (distance) C4'-P energy: -149.833
bonds (distance) P-C4' energy: -135.222
flat angles C4'-P-C4' energy: -173.997
flat angles P-C4'-P energy: -102.333
tors. eta vs tors. theta energy: -192.845
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: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2146.098455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.098455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.484312 (E_RNA)
where:
Base-Base interactions energy: -1468.837
where: short stacking energy: -651.308
Base-Backbone interact. energy: 1.659
local terms energy: -680.306556
where:
bonds (distance) C4'-P energy: -136.663
bonds (distance) P-C4' energy: -138.205
flat angles C4'-P-C4' energy: -141.112
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -169.384
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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2091.122581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.122581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.905731 (E_RNA)
where:
Base-Base interactions energy: -1408.474
where: short stacking energy: -609.201
Base-Backbone interact. energy: 7.033
local terms energy: -693.463899
where:
bonds (distance) C4'-P energy: -130.059
bonds (distance) P-C4' energy: -148.254
flat angles C4'-P-C4' energy: -143.843
flat angles P-C4'-P energy: -108.565
tors. eta vs tors. theta energy: -162.743
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1997.689144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.689144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.419812 (E_RNA)
where:
Base-Base interactions energy: -1332.857
where: short stacking energy: -551.659
Base-Backbone interact. energy: -2.479
local terms energy: -667.083730
where:
bonds (distance) C4'-P energy: -118.390
bonds (distance) P-C4' energy: -134.773
flat angles C4'-P-C4' energy: -155.980
flat angles P-C4'-P energy: -99.106
tors. eta vs tors. theta energy: -158.835
Dist. restrs. and SS energy: 4.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1929.938486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.412020 (E_RNA)
where:
Base-Base interactions energy: -1305.416
where: short stacking energy: -537.869
Base-Backbone interact. energy: 5.188
local terms energy: -633.183970
where:
bonds (distance) C4'-P energy: -110.041
bonds (distance) P-C4' energy: -125.526
flat angles C4'-P-C4' energy: -162.079
flat angles P-C4'-P energy: -96.692
tors. eta vs tors. theta energy: -138.846
Dist. restrs. and SS energy: 3.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1843.228149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.228149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.507165 (E_RNA)
where:
Base-Base interactions energy: -1264.467
where: short stacking energy: -532.386
Base-Backbone interact. energy: 0.244
local terms energy: -582.284709
where:
bonds (distance) C4'-P energy: -118.611
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -115.516
flat angles P-C4'-P energy: -93.197
tors. eta vs tors. theta energy: -123.246
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2753.706138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.706138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.354134 (E_RNA)
where:
Base-Base interactions energy: -1889.877
where: short stacking energy: -836.201
Base-Backbone interact. energy: -2.733
local terms energy: -863.744365
where:
bonds (distance) C4'-P energy: -144.389
bonds (distance) P-C4' energy: -171.110
flat angles C4'-P-C4' energy: -179.916
flat angles P-C4'-P energy: -128.897
tors. eta vs tors. theta energy: -239.432
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2624.202053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.202053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.236504 (E_RNA)
where:
Base-Base interactions energy: -1803.964
where: short stacking energy: -746.695
Base-Backbone interact. energy: -1.991
local terms energy: -819.282111
where:
bonds (distance) C4'-P energy: -154.695
bonds (distance) P-C4' energy: -154.299
flat angles C4'-P-C4' energy: -174.731
flat angles P-C4'-P energy: -110.964
tors. eta vs tors. theta energy: -224.594
Dist. restrs. and SS energy: 1.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2581.906378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.906378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.760199 (E_RNA)
where:
Base-Base interactions energy: -1763.727
where: short stacking energy: -766.184
Base-Backbone interact. energy: 5.791
local terms energy: -825.824375
where:
bonds (distance) C4'-P energy: -156.887
bonds (distance) P-C4' energy: -161.073
flat angles C4'-P-C4' energy: -175.563
flat angles P-C4'-P energy: -112.667
tors. eta vs tors. theta energy: -219.635
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2438.275580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.275580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.516848 (E_RNA)
where:
Base-Base interactions energy: -1619.826
where: short stacking energy: -705.379
Base-Backbone interact. energy: 1.379
local terms energy: -822.069214
where:
bonds (distance) C4'-P energy: -163.795
bonds (distance) P-C4' energy: -155.380
flat angles C4'-P-C4' energy: -169.217
flat angles P-C4'-P energy: -124.011
tors. eta vs tors. theta energy: -209.667
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: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2342.486101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.486101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.523495 (E_RNA)
where:
Base-Base interactions energy: -1561.506
where: short stacking energy: -668.509
Base-Backbone interact. energy: -0.258
local terms energy: -782.759768
where:
bonds (distance) C4'-P energy: -165.641
bonds (distance) P-C4' energy: -160.912
flat angles C4'-P-C4' energy: -159.970
flat angles P-C4'-P energy: -111.299
tors. eta vs tors. theta energy: -184.937
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: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2161.904341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.904341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.841762 (E_RNA)
where:
Base-Base interactions energy: -1463.891
where: short stacking energy: -653.658
Base-Backbone interact. energy: 8.177
local terms energy: -708.127974
where:
bonds (distance) C4'-P energy: -141.907
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -153.972
flat angles P-C4'-P energy: -98.288
tors. eta vs tors. theta energy: -169.652
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: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2083.736505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.736505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.620125 (E_RNA)
where:
Base-Base interactions energy: -1436.526
where: short stacking energy: -616.359
Base-Backbone interact. energy: -0.788
local terms energy: -648.306847
where:
bonds (distance) C4'-P energy: -122.082
bonds (distance) P-C4' energy: -146.467
flat angles C4'-P-C4' energy: -146.927
flat angles P-C4'-P energy: -79.003
tors. eta vs tors. theta energy: -153.829
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: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2034.763904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.763904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.438388 (E_RNA)
where:
Base-Base interactions energy: -1406.435
where: short stacking energy: -601.996
Base-Backbone interact. energy: 1.966
local terms energy: -631.969641
where:
bonds (distance) C4'-P energy: -121.965
bonds (distance) P-C4' energy: -132.521
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: -155.002
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1884.189183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.189183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.923876 (E_RNA)
where:
Base-Base interactions energy: -1275.151
where: short stacking energy: -517.015
Base-Backbone interact. energy: 1.979
local terms energy: -612.751956
where:
bonds (distance) C4'-P energy: -124.193
bonds (distance) P-C4' energy: -131.097
flat angles C4'-P-C4' energy: -146.481
flat angles P-C4'-P energy: -97.939
tors. eta vs tors. theta energy: -113.042
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1859.534986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.534986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.435793 (E_RNA)
where:
Base-Base interactions energy: -1281.992
where: short stacking energy: -538.331
Base-Backbone interact. energy: 3.010
local terms energy: -583.453833
where:
bonds (distance) C4'-P energy: -116.727
bonds (distance) P-C4' energy: -125.140
flat angles C4'-P-C4' energy: -128.835
flat angles P-C4'-P energy: -78.604
tors. eta vs tors. theta energy: -134.147
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: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2790.228260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.228260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.343309 (E_RNA)
where:
Base-Base interactions energy: -1915.853
where: short stacking energy: -834.275
Base-Backbone interact. energy: 3.461
local terms energy: -880.951386
where:
bonds (distance) C4'-P energy: -165.035
bonds (distance) P-C4' energy: -169.658
flat angles C4'-P-C4' energy: -185.121
flat angles P-C4'-P energy: -114.793
tors. eta vs tors. theta energy: -246.345
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2639.267185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.267185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.353558 (E_RNA)
where:
Base-Base interactions energy: -1832.371
where: short stacking energy: -771.489
Base-Backbone interact. energy: 0.210
local terms energy: -808.192419
where:
bonds (distance) C4'-P energy: -153.199
bonds (distance) P-C4' energy: -157.491
flat angles C4'-P-C4' energy: -177.784
flat angles P-C4'-P energy: -105.271
tors. eta vs tors. theta energy: -214.447
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: 113
Temperature: 1.000000
Total energy: -2579.131708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.131708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.522407 (E_RNA)
where:
Base-Base interactions energy: -1782.479
where: short stacking energy: -746.387
Base-Backbone interact. energy: 4.148
local terms energy: -802.191956
where:
bonds (distance) C4'-P energy: -151.607
bonds (distance) P-C4' energy: -142.367
flat angles C4'-P-C4' energy: -175.809
flat angles P-C4'-P energy: -118.149
tors. eta vs tors. theta energy: -214.261
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: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2480.914660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.914660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.830484 (E_RNA)
where:
Base-Base interactions energy: -1685.594
where: short stacking energy: -738.908
Base-Backbone interact. energy: -3.979
local terms energy: -793.257929
where:
bonds (distance) C4'-P energy: -142.467
bonds (distance) P-C4' energy: -165.185
flat angles C4'-P-C4' energy: -165.982
flat angles P-C4'-P energy: -107.405
tors. eta vs tors. theta energy: -212.219
Dist. restrs. and SS energy: 1.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2350.966560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.966560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.940495 (E_RNA)
where:
Base-Base interactions energy: -1600.883
where: short stacking energy: -724.275
Base-Backbone interact. energy: -1.460
local terms energy: -751.597145
where:
bonds (distance) C4'-P energy: -132.310
bonds (distance) P-C4' energy: -142.675
flat angles C4'-P-C4' energy: -165.559
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -197.844
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2195.522763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.522763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.827357 (E_RNA)
where:
Base-Base interactions energy: -1463.627
where: short stacking energy: -650.513
Base-Backbone interact. energy: 0.232
local terms energy: -734.432028
where:
bonds (distance) C4'-P energy: -150.555
bonds (distance) P-C4' energy: -154.364
flat angles C4'-P-C4' energy: -155.327
flat angles P-C4'-P energy: -101.391
tors. eta vs tors. theta energy: -172.795
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: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2146.977625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.977625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.566416 (E_RNA)
where:
Base-Base interactions energy: -1452.776
where: short stacking energy: -632.348
Base-Backbone interact. energy: -3.873
local terms energy: -692.917718
where:
bonds (distance) C4'-P energy: -122.236
bonds (distance) P-C4' energy: -126.023
flat angles C4'-P-C4' energy: -159.163
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -191.090
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2017.457646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.457646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.718730 (E_RNA)
where:
Base-Base interactions energy: -1347.391
where: short stacking energy: -559.580
Base-Backbone interact. energy: 1.551
local terms energy: -674.878309
where:
bonds (distance) C4'-P energy: -140.939
bonds (distance) P-C4' energy: -144.135
flat angles C4'-P-C4' energy: -164.725
flat angles P-C4'-P energy: -86.115
tors. eta vs tors. theta energy: -138.963
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: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1965.826901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.826901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.688379 (E_RNA)
where:
Base-Base interactions energy: -1320.663
where: short stacking energy: -560.863
Base-Backbone interact. energy: -2.305
local terms energy: -646.721075
where:
bonds (distance) C4'-P energy: -109.150
bonds (distance) P-C4' energy: -141.287
flat angles C4'-P-C4' energy: -147.852
flat angles P-C4'-P energy: -88.313
tors. eta vs tors. theta energy: -160.119
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1838.325413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.325413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.362113 (E_RNA)
where:
Base-Base interactions energy: -1250.518
where: short stacking energy: -542.134
Base-Backbone interact. energy: -2.907
local terms energy: -590.936502
where:
bonds (distance) C4'-P energy: -93.935
bonds (distance) P-C4' energy: -116.934
flat angles C4'-P-C4' energy: -146.522
flat angles P-C4'-P energy: -91.482
tors. eta vs tors. theta energy: -142.063
Dist. restrs. and SS energy: 6.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2795.909372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.909372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.448529 (E_RNA)
where:
Base-Base interactions energy: -1909.677
where: short stacking energy: -846.067
Base-Backbone interact. energy: -2.809
local terms energy: -884.963006
where:
bonds (distance) C4'-P energy: -158.351
bonds (distance) P-C4' energy: -164.406
flat angles C4'-P-C4' energy: -189.248
flat angles P-C4'-P energy: -125.552
tors. eta vs tors. theta energy: -247.405
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: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2683.514889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.514889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.936780 (E_RNA)
where:
Base-Base interactions energy: -1860.812
where: short stacking energy: -798.198
Base-Backbone interact. energy: -4.755
local terms energy: -819.369257
where:
bonds (distance) C4'-P energy: -148.431
bonds (distance) P-C4' energy: -164.432
flat angles C4'-P-C4' energy: -170.134
flat angles P-C4'-P energy: -105.238
tors. eta vs tors. theta energy: -231.134
Dist. restrs. and SS energy: 1.422 (S_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: -2561.961268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.961268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.396515 (E_RNA)
where:
Base-Base interactions energy: -1765.918
where: short stacking energy: -755.040
Base-Backbone interact. energy: -2.781
local terms energy: -794.697061
where:
bonds (distance) C4'-P energy: -148.809
bonds (distance) P-C4' energy: -154.067
flat angles C4'-P-C4' energy: -171.949
flat angles P-C4'-P energy: -107.642
tors. eta vs tors. theta energy: -212.230
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: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2467.374401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.374401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.407619 (E_RNA)
where:
Base-Base interactions energy: -1659.657
where: short stacking energy: -710.606
Base-Backbone interact. energy: -1.116
local terms energy: -810.635128
where:
bonds (distance) C4'-P energy: -157.388
bonds (distance) P-C4' energy: -140.769
flat angles C4'-P-C4' energy: -180.194
flat angles P-C4'-P energy: -119.506
tors. eta vs tors. theta energy: -212.777
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: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2310.440076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.440076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.976318 (E_RNA)
where:
Base-Base interactions energy: -1544.720
where: short stacking energy: -666.730
Base-Backbone interact. energy: -1.310
local terms energy: -767.946829
where:
bonds (distance) C4'-P energy: -141.519
bonds (distance) P-C4' energy: -159.850
flat angles C4'-P-C4' energy: -171.229
flat angles P-C4'-P energy: -109.320
tors. eta vs tors. theta energy: -186.029
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: 6, replica: 10
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2165.843163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.843163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.295134 (E_RNA)
where:
Base-Base interactions energy: -1475.872
where: short stacking energy: -637.238
Base-Backbone interact. energy: -2.126
local terms energy: -690.297010
where:
bonds (distance) C4'-P energy: -120.955
bonds (distance) P-C4' energy: -150.672
flat angles C4'-P-C4' energy: -152.643
flat angles P-C4'-P energy: -97.228
tors. eta vs tors. theta energy: -168.799
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: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2148.860392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.860392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.005336 (E_RNA)
where:
Base-Base interactions energy: -1458.820
where: short stacking energy: -632.621
Base-Backbone interact. energy: 3.446
local terms energy: -695.630770
where:
bonds (distance) C4'-P energy: -142.432
bonds (distance) P-C4' energy: -132.279
flat angles C4'-P-C4' energy: -158.654
flat angles P-C4'-P energy: -97.018
tors. eta vs tors. theta energy: -165.247
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1978.614117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.614117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.609879 (E_RNA)
where:
Base-Base interactions energy: -1358.737
where: short stacking energy: -578.702
Base-Backbone interact. energy: 7.011
local terms energy: -629.884045
where:
bonds (distance) C4'-P energy: -114.630
bonds (distance) P-C4' energy: -128.234
flat angles C4'-P-C4' energy: -150.318
flat angles P-C4'-P energy: -93.859
tors. eta vs tors. theta energy: -142.843
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: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1869.357223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.357223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.399488 (E_RNA)
where:
Base-Base interactions energy: -1305.065
where: short stacking energy: -538.170
Base-Backbone interact. energy: -2.349
local terms energy: -567.986406
where:
bonds (distance) C4'-P energy: -111.808
bonds (distance) P-C4' energy: -114.906
flat angles C4'-P-C4' energy: -131.211
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -130.567
Dist. restrs. and SS energy: 6.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1890.737861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.737861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.720387 (E_RNA)
where:
Base-Base interactions energy: -1308.536
where: short stacking energy: -547.650
Base-Backbone interact. energy: -0.511
local terms energy: -586.674005
where:
bonds (distance) C4'-P energy: -110.471
bonds (distance) P-C4' energy: -123.325
flat angles C4'-P-C4' energy: -145.256
flat angles P-C4'-P energy: -78.730
tors. eta vs tors. theta energy: -128.892
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: 115
Temperature: 0.900000
Total energy: -2768.343233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.343233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.680736 (E_RNA)
where:
Base-Base interactions energy: -1900.487
where: short stacking energy: -815.031
Base-Backbone interact. energy: -2.393
local terms energy: -867.801145
where:
bonds (distance) C4'-P energy: -149.593
bonds (distance) P-C4' energy: -169.686
flat angles C4'-P-C4' energy: -195.168
flat angles P-C4'-P energy: -114.537
tors. eta vs tors. theta energy: -238.817
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2649.730576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.730576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.072504 (E_RNA)
where:
Base-Base interactions energy: -1816.166
where: short stacking energy: -758.274
Base-Backbone interact. energy: -3.938
local terms energy: -830.968327
where:
bonds (distance) C4'-P energy: -160.744
bonds (distance) P-C4' energy: -157.830
flat angles C4'-P-C4' energy: -181.415
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -221.589
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: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2614.610142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.610142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.806715 (E_RNA)
where:
Base-Base interactions energy: -1781.538
where: short stacking energy: -789.219
Base-Backbone interact. energy: -2.365
local terms energy: -831.903972
where:
bonds (distance) C4'-P energy: -168.044
bonds (distance) P-C4' energy: -160.114
flat angles C4'-P-C4' energy: -159.730
flat angles P-C4'-P energy: -116.894
tors. eta vs tors. theta energy: -227.122
Dist. restrs. and SS energy: 1.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2474.146146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.146146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.944777 (E_RNA)
where:
Base-Base interactions energy: -1702.325
where: short stacking energy: -744.894
Base-Backbone interact. energy: 5.148
local terms energy: -779.768309
where:
bonds (distance) C4'-P energy: -132.311
bonds (distance) P-C4' energy: -156.192
flat angles C4'-P-C4' energy: -163.625
flat angles P-C4'-P energy: -107.503
tors. eta vs tors. theta energy: -220.137
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2369.912292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.912292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.566446 (E_RNA)
where:
Base-Base interactions energy: -1588.812
where: short stacking energy: -705.676
Base-Backbone interact. energy: -1.092
local terms energy: -782.661967
where:
bonds (distance) C4'-P energy: -164.514
bonds (distance) P-C4' energy: -140.773
flat angles C4'-P-C4' energy: -182.600
flat angles P-C4'-P energy: -86.186
tors. eta vs tors. theta energy: -208.589
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2178.034131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.034131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.558225 (E_RNA)
where:
Base-Base interactions energy: -1470.377
where: short stacking energy: -644.394
Base-Backbone interact. energy: -4.489
local terms energy: -704.691938
where:
bonds (distance) C4'-P energy: -124.782
bonds (distance) P-C4' energy: -140.683
flat angles C4'-P-C4' energy: -159.981
flat angles P-C4'-P energy: -95.212
tors. eta vs tors. theta energy: -184.033
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: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2148.953987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.953987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.576371 (E_RNA)
where:
Base-Base interactions energy: -1481.198
where: short stacking energy: -667.706
Base-Backbone interact. energy: -3.510
local terms energy: -667.868371
where:
bonds (distance) C4'-P energy: -119.906
bonds (distance) P-C4' energy: -133.892
flat angles C4'-P-C4' energy: -155.895
flat angles P-C4'-P energy: -79.338
tors. eta vs tors. theta energy: -178.837
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: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1957.958377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.958377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.678671 (E_RNA)
where:
Base-Base interactions energy: -1342.158
where: short stacking energy: -569.031
Base-Backbone interact. energy: -0.834
local terms energy: -617.686652
where:
bonds (distance) C4'-P energy: -132.739
bonds (distance) P-C4' energy: -108.835
flat angles C4'-P-C4' energy: -153.118
flat angles P-C4'-P energy: -85.817
tors. eta vs tors. theta energy: -137.177
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1925.275970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.275970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.964225 (E_RNA)
where:
Base-Base interactions energy: -1310.227
where: short stacking energy: -566.943
Base-Backbone interact. energy: -1.167
local terms energy: -616.570726
where:
bonds (distance) C4'-P energy: -113.109
bonds (distance) P-C4' energy: -123.347
flat angles C4'-P-C4' energy: -128.400
flat angles P-C4'-P energy: -95.108
tors. eta vs tors. theta energy: -156.607
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: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1833.231543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.231543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.744270 (E_RNA)
where:
Base-Base interactions energy: -1250.372
where: short stacking energy: -507.084
Base-Backbone interact. energy: 9.266
local terms energy: -597.638648
where:
bonds (distance) C4'-P energy: -123.883
bonds (distance) P-C4' energy: -116.168
flat angles C4'-P-C4' energy: -133.969
flat angles P-C4'-P energy: -93.624
tors. eta vs tors. theta energy: -129.994
Dist. restrs. and SS energy: 5.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2751.720703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.720703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.410691 (E_RNA)
where:
Base-Base interactions energy: -1865.222
where: short stacking energy: -810.858
Base-Backbone interact. energy: 0.135
local terms energy: -889.324460
where:
bonds (distance) C4'-P energy: -161.323
bonds (distance) P-C4' energy: -171.361
flat angles C4'-P-C4' energy: -186.153
flat angles P-C4'-P energy: -137.334
tors. eta vs tors. theta energy: -233.154
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2685.574279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.495043 (E_RNA)
where:
Base-Base interactions energy: -1859.424
where: short stacking energy: -771.319
Base-Backbone interact. energy: -4.459
local terms energy: -823.611509
where:
bonds (distance) C4'-P energy: -162.619
bonds (distance) P-C4' energy: -170.833
flat angles C4'-P-C4' energy: -176.056
flat angles P-C4'-P energy: -94.756
tors. eta vs tors. theta energy: -219.347
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: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2603.824628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.824628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.669786 (E_RNA)
where:
Base-Base interactions energy: -1767.382
where: short stacking energy: -759.937
Base-Backbone interact. energy: 0.693
local terms energy: -838.981132
where:
bonds (distance) C4'-P energy: -149.623
bonds (distance) P-C4' energy: -146.766
flat angles C4'-P-C4' energy: -182.085
flat angles P-C4'-P energy: -126.986
tors. eta vs tors. theta energy: -233.521
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: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2461.101111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.101111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.108647 (E_RNA)
where:
Base-Base interactions energy: -1694.549
where: short stacking energy: -719.972
Base-Backbone interact. energy: 0.812
local terms energy: -769.371222
where:
bonds (distance) C4'-P energy: -133.600
bonds (distance) P-C4' energy: -146.349
flat angles C4'-P-C4' energy: -162.909
flat angles P-C4'-P energy: -115.283
tors. eta vs tors. theta energy: -211.230
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2403.071185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.071185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.829333 (E_RNA)
where:
Base-Base interactions energy: -1625.387
where: short stacking energy: -685.587
Base-Backbone interact. energy: -1.504
local terms energy: -777.937844
where:
bonds (distance) C4'-P energy: -141.684
bonds (distance) P-C4' energy: -144.578
flat angles C4'-P-C4' energy: -169.111
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -208.294
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: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2163.650420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.650420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.649660 (E_RNA)
where:
Base-Base interactions energy: -1469.198
where: short stacking energy: -632.313
Base-Backbone interact. energy: -1.047
local terms energy: -695.405014
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -151.550
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -111.689
tors. eta vs tors. theta energy: -156.394
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2134.210897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.210897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.676432 (E_RNA)
where:
Base-Base interactions energy: -1438.682
where: short stacking energy: -623.251
Base-Backbone interact. energy: -0.380
local terms energy: -698.613688
where:
bonds (distance) C4'-P energy: -131.194
bonds (distance) P-C4' energy: -151.983
flat angles C4'-P-C4' energy: -150.973
flat angles P-C4'-P energy: -84.308
tors. eta vs tors. theta energy: -180.156
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: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1993.636687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.636687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.021019 (E_RNA)
where:
Base-Base interactions energy: -1348.486
where: short stacking energy: -573.912
Base-Backbone interact. energy: -1.181
local terms energy: -652.353817
where:
bonds (distance) C4'-P energy: -118.659
bonds (distance) P-C4' energy: -126.766
flat angles C4'-P-C4' energy: -161.241
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -139.481
Dist. restrs. and SS energy: 8.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1918.707358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.707358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.355938 (E_RNA)
where:
Base-Base interactions energy: -1290.802
where: short stacking energy: -538.935
Base-Backbone interact. energy: -3.036
local terms energy: -627.518208
where:
bonds (distance) C4'-P energy: -128.497
bonds (distance) P-C4' energy: -132.246
flat angles C4'-P-C4' energy: -142.707
flat angles P-C4'-P energy: -94.970
tors. eta vs tors. theta energy: -129.097
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: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1833.702516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.702516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.005680 (E_RNA)
where:
Base-Base interactions energy: -1264.820
where: short stacking energy: -528.827
Base-Backbone interact. energy: -2.336
local terms energy: -569.849414
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -114.175
flat angles C4'-P-C4' energy: -145.619
flat angles P-C4'-P energy: -70.745
tors. eta vs tors. theta energy: -117.139
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: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2808.458494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.458494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.644709 (E_RNA)
where:
Base-Base interactions energy: -1913.609
where: short stacking energy: -853.054
Base-Backbone interact. energy: -3.757
local terms energy: -893.278989
where:
bonds (distance) C4'-P energy: -165.490
bonds (distance) P-C4' energy: -159.066
flat angles C4'-P-C4' energy: -184.507
flat angles P-C4'-P energy: -131.744
tors. eta vs tors. theta energy: -252.471
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: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2685.535491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.535491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.979230 (E_RNA)
where:
Base-Base interactions energy: -1833.775
where: short stacking energy: -779.152
Base-Backbone interact. energy: -4.096
local terms energy: -849.107653
where:
bonds (distance) C4'-P energy: -156.576
bonds (distance) P-C4' energy: -166.088
flat angles C4'-P-C4' energy: -186.599
flat angles P-C4'-P energy: -116.762
tors. eta vs tors. theta energy: -223.082
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: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2594.396201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.101496 (E_RNA)
where:
Base-Base interactions energy: -1775.532
where: short stacking energy: -765.747
Base-Backbone interact. energy: -2.741
local terms energy: -818.829257
where:
bonds (distance) C4'-P energy: -147.814
bonds (distance) P-C4' energy: -161.675
flat angles C4'-P-C4' energy: -171.437
flat angles P-C4'-P energy: -110.828
tors. eta vs tors. theta energy: -227.075
Dist. restrs. and SS energy: 2.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2494.208336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.208336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.903544 (E_RNA)
where:
Base-Base interactions energy: -1673.269
where: short stacking energy: -724.191
Base-Backbone interact. energy: 0.639
local terms energy: -823.273629
where:
bonds (distance) C4'-P energy: -151.920
bonds (distance) P-C4' energy: -167.888
flat angles C4'-P-C4' energy: -176.218
flat angles P-C4'-P energy: -109.445
tors. eta vs tors. theta energy: -217.803
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2396.622680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.622680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.929123 (E_RNA)
where:
Base-Base interactions energy: -1610.034
where: short stacking energy: -676.334
Base-Backbone interact. energy: -3.765
local terms energy: -784.129478
where:
bonds (distance) C4'-P energy: -155.756
bonds (distance) P-C4' energy: -157.608
flat angles C4'-P-C4' energy: -185.302
flat angles P-C4'-P energy: -105.490
tors. eta vs tors. theta energy: -179.973
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: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2196.766147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.766147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.809627 (E_RNA)
where:
Base-Base interactions energy: -1465.772
where: short stacking energy: -672.530
Base-Backbone interact. energy: -1.842
local terms energy: -732.195514
where:
bonds (distance) C4'-P energy: -136.795
bonds (distance) P-C4' energy: -143.521
flat angles C4'-P-C4' energy: -146.428
flat angles P-C4'-P energy: -111.144
tors. eta vs tors. theta energy: -194.306
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2081.920687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.920687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.314757 (E_RNA)
where:
Base-Base interactions energy: -1409.124
where: short stacking energy: -597.852
Base-Backbone interact. energy: -3.920
local terms energy: -671.270949
where:
bonds (distance) C4'-P energy: -134.381
bonds (distance) P-C4' energy: -135.368
flat angles C4'-P-C4' energy: -143.094
flat angles P-C4'-P energy: -95.361
tors. eta vs tors. theta energy: -163.066
Dist. restrs. and SS energy: 2.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1998.393729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.393729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.084424 (E_RNA)
where:
Base-Base interactions energy: -1364.350
where: short stacking energy: -560.182
Base-Backbone interact. energy: -1.651
local terms energy: -634.083268
where:
bonds (distance) C4'-P energy: -132.328
bonds (distance) P-C4' energy: -129.992
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -83.525
tors. eta vs tors. theta energy: -144.703
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: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1878.414857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.414857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.535349 (E_RNA)
where:
Base-Base interactions energy: -1268.576
where: short stacking energy: -532.631
Base-Backbone interact. energy: 2.369
local terms energy: -614.328634
where:
bonds (distance) C4'-P energy: -116.686
bonds (distance) P-C4' energy: -141.706
flat angles C4'-P-C4' energy: -142.474
flat angles P-C4'-P energy: -88.121
tors. eta vs tors. theta energy: -125.341
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: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1846.006828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.006828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.841179 (E_RNA)
where:
Base-Base interactions energy: -1247.668
where: short stacking energy: -504.710
Base-Backbone interact. energy: 0.900
local terms energy: -603.073065
where:
bonds (distance) C4'-P energy: -131.002
bonds (distance) P-C4' energy: -134.326
flat angles C4'-P-C4' energy: -112.076
flat angles P-C4'-P energy: -102.485
tors. eta vs tors. theta energy: -123.184
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2787.091560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.091560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.996028 (E_RNA)
where:
Base-Base interactions energy: -1915.986
where: short stacking energy: -800.760
Base-Backbone interact. energy: -4.554
local terms energy: -869.455659
where:
bonds (distance) C4'-P energy: -159.416
bonds (distance) P-C4' energy: -159.380
flat angles C4'-P-C4' energy: -190.062
flat angles P-C4'-P energy: -118.525
tors. eta vs tors. theta energy: -242.073
Dist. restrs. and SS energy: 2.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2676.528646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.528646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.924061 (E_RNA)
where:
Base-Base interactions energy: -1813.115
where: short stacking energy: -767.002
Base-Backbone interact. energy: 0.052
local terms energy: -864.861063
where:
bonds (distance) C4'-P energy: -139.792
bonds (distance) P-C4' energy: -181.396
flat angles C4'-P-C4' energy: -181.346
flat angles P-C4'-P energy: -125.994
tors. eta vs tors. theta energy: -236.333
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: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2614.917091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.917091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.030718 (E_RNA)
where:
Base-Base interactions energy: -1767.600
where: short stacking energy: -764.746
Base-Backbone interact. energy: -4.456
local terms energy: -844.975052
where:
bonds (distance) C4'-P energy: -145.954
bonds (distance) P-C4' energy: -163.782
flat angles C4'-P-C4' energy: -179.352
flat angles P-C4'-P energy: -114.993
tors. eta vs tors. theta energy: -240.894
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: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2496.443311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.443311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.593940 (E_RNA)
where:
Base-Base interactions energy: -1690.982
where: short stacking energy: -725.346
Base-Backbone interact. energy: -3.907
local terms energy: -803.705020
where:
bonds (distance) C4'-P energy: -153.287
bonds (distance) P-C4' energy: -133.671
flat angles C4'-P-C4' energy: -178.787
flat angles P-C4'-P energy: -122.882
tors. eta vs tors. theta energy: -215.079
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: 118
Temperature: 1.100000
Total energy: -2419.838238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.838238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.591255 (E_RNA)
where:
Base-Base interactions energy: -1645.276
where: short stacking energy: -706.090
Base-Backbone interact. energy: -5.687
local terms energy: -770.628076
where:
bonds (distance) C4'-P energy: -159.658
bonds (distance) P-C4' energy: -135.409
flat angles C4'-P-C4' energy: -163.609
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -206.389
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: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2152.447908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.447908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.329870 (E_RNA)
where:
Base-Base interactions energy: -1440.041
where: short stacking energy: -616.602
Base-Backbone interact. energy: 7.511
local terms energy: -722.800260
where:
bonds (distance) C4'-P energy: -151.414
bonds (distance) P-C4' energy: -144.061
flat angles C4'-P-C4' energy: -157.194
flat angles P-C4'-P energy: -94.350
tors. eta vs tors. theta energy: -175.782
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2083.561608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.561608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.846738 (E_RNA)
where:
Base-Base interactions energy: -1431.385
where: short stacking energy: -617.339
Base-Backbone interact. energy: 0.414
local terms energy: -654.875104
where:
bonds (distance) C4'-P energy: -114.367
bonds (distance) P-C4' energy: -138.922
flat angles C4'-P-C4' energy: -153.518
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -156.464
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: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1999.225638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.225638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.552544 (E_RNA)
where:
Base-Base interactions energy: -1360.693
where: short stacking energy: -584.596
Base-Backbone interact. energy: 8.497
local terms energy: -649.356618
where:
bonds (distance) C4'-P energy: -114.548
bonds (distance) P-C4' energy: -126.393
flat angles C4'-P-C4' energy: -143.731
flat angles P-C4'-P energy: -113.436
tors. eta vs tors. theta energy: -151.247
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1910.260479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.260479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.634560 (E_RNA)
where:
Base-Base interactions energy: -1324.032
where: short stacking energy: -550.829
Base-Backbone interact. energy: 3.670
local terms energy: -594.272790
where:
bonds (distance) C4'-P energy: -129.714
bonds (distance) P-C4' energy: -124.106
flat angles C4'-P-C4' energy: -128.537
flat angles P-C4'-P energy: -84.780
tors. eta vs tors. theta energy: -127.137
Dist. restrs. and SS energy: 4.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1928.180024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.180024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.561514 (E_RNA)
where:
Base-Base interactions energy: -1332.866
where: short stacking energy: -555.853
Base-Backbone interact. energy: -1.857
local terms energy: -596.839174
where:
bonds (distance) C4'-P energy: -126.597
bonds (distance) P-C4' energy: -122.194
flat angles C4'-P-C4' energy: -129.208
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -134.599
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2746.975192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.975192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.784947 (E_RNA)
where:
Base-Base interactions energy: -1895.606
where: short stacking energy: -810.290
Base-Backbone interact. energy: -4.902
local terms energy: -849.277080
where:
bonds (distance) C4'-P energy: -155.891
bonds (distance) P-C4' energy: -150.054
flat angles C4'-P-C4' energy: -185.287
flat angles P-C4'-P energy: -124.298
tors. eta vs tors. theta energy: -233.748
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: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2701.628416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.628416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.244991 (E_RNA)
where:
Base-Base interactions energy: -1834.125
where: short stacking energy: -780.426
Base-Backbone interact. energy: -3.188
local terms energy: -865.932028
where:
bonds (distance) C4'-P energy: -170.310
bonds (distance) P-C4' energy: -172.814
flat angles C4'-P-C4' energy: -165.627
flat angles P-C4'-P energy: -130.870
tors. eta vs tors. theta energy: -226.312
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: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2607.975802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.975802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.537892 (E_RNA)
where:
Base-Base interactions energy: -1801.002
where: short stacking energy: -767.390
Base-Backbone interact. energy: 0.872
local terms energy: -809.407817
where:
bonds (distance) C4'-P energy: -136.300
bonds (distance) P-C4' energy: -168.072
flat angles C4'-P-C4' energy: -170.403
flat angles P-C4'-P energy: -121.314
tors. eta vs tors. theta energy: -213.319
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: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2499.390598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.390598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.685796 (E_RNA)
where:
Base-Base interactions energy: -1731.152
where: short stacking energy: -751.644
Base-Backbone interact. energy: -3.256
local terms energy: -766.277569
where:
bonds (distance) C4'-P energy: -144.052
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -165.021
flat angles P-C4'-P energy: -109.609
tors. eta vs tors. theta energy: -210.159
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: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2376.600733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.600733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.384448 (E_RNA)
where:
Base-Base interactions energy: -1605.716
where: short stacking energy: -680.323
Base-Backbone interact. energy: 4.780
local terms energy: -778.447985
where:
bonds (distance) C4'-P energy: -161.467
bonds (distance) P-C4' energy: -147.885
flat angles C4'-P-C4' energy: -161.334
flat angles P-C4'-P energy: -102.972
tors. eta vs tors. theta energy: -204.790
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2185.218204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.218204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.269470 (E_RNA)
where:
Base-Base interactions energy: -1480.129
where: short stacking energy: -636.996
Base-Backbone interact. energy: 5.730
local terms energy: -712.870179
where:
bonds (distance) C4'-P energy: -136.331
bonds (distance) P-C4' energy: -149.178
flat angles C4'-P-C4' energy: -152.939
flat angles P-C4'-P energy: -104.893
tors. eta vs tors. theta energy: -169.530
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: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2059.979647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.979647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.897226 (E_RNA)
where:
Base-Base interactions energy: -1391.880
where: short stacking energy: -570.425
Base-Backbone interact. energy: 2.503
local terms energy: -673.519389
where:
bonds (distance) C4'-P energy: -122.215
bonds (distance) P-C4' energy: -154.424
flat angles C4'-P-C4' energy: -154.701
flat angles P-C4'-P energy: -104.192
tors. eta vs tors. theta energy: -137.987
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: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2045.174772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.174772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.210534 (E_RNA)
where:
Base-Base interactions energy: -1370.995
where: short stacking energy: -588.119
Base-Backbone interact. energy: -0.025
local terms energy: -677.191074
where:
bonds (distance) C4'-P energy: -147.468
bonds (distance) P-C4' energy: -133.743
flat angles C4'-P-C4' energy: -148.373
flat angles P-C4'-P energy: -87.608
tors. eta vs tors. theta energy: -159.998
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: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1904.489676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.489676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.200435 (E_RNA)
where:
Base-Base interactions energy: -1266.596
where: short stacking energy: -523.552
Base-Backbone interact. energy: 7.270
local terms energy: -647.874539
where:
bonds (distance) C4'-P energy: -140.236
bonds (distance) P-C4' energy: -148.284
flat angles C4'-P-C4' energy: -135.677
flat angles P-C4'-P energy: -83.749
tors. eta vs tors. theta energy: -139.928
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1850.885205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.885205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.636258 (E_RNA)
where:
Base-Base interactions energy: -1252.182
where: short stacking energy: -522.996
Base-Backbone interact. energy: 2.548
local terms energy: -606.001810
where:
bonds (distance) C4'-P energy: -126.067
bonds (distance) P-C4' energy: -108.404
flat angles C4'-P-C4' energy: -150.188
flat angles P-C4'-P energy: -89.607
tors. eta vs tors. theta energy: -131.735
Dist. restrs. and SS energy: 4.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2764.021901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.021901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.943793 (E_RNA)
where:
Base-Base interactions energy: -1888.200
where: short stacking energy: -820.328
Base-Backbone interact. energy: -2.103
local terms energy: -874.640341
where:
bonds (distance) C4'-P energy: -160.434
bonds (distance) P-C4' energy: -165.525
flat angles C4'-P-C4' energy: -183.734
flat angles P-C4'-P energy: -134.168
tors. eta vs tors. theta energy: -230.779
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2691.364293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.364293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.366945 (E_RNA)
where:
Base-Base interactions energy: -1841.110
where: short stacking energy: -792.396
Base-Backbone interact. energy: 1.590
local terms energy: -853.846499
where:
bonds (distance) C4'-P energy: -155.038
bonds (distance) P-C4' energy: -159.007
flat angles C4'-P-C4' energy: -188.827
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -239.608
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: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2606.126126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.126126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.681515 (E_RNA)
where:
Base-Base interactions energy: -1767.791
where: short stacking energy: -764.299
Base-Backbone interact. energy: -2.997
local terms energy: -836.893194
where:
bonds (distance) C4'-P energy: -148.954
bonds (distance) P-C4' energy: -155.235
flat angles C4'-P-C4' energy: -193.545
flat angles P-C4'-P energy: -119.190
tors. eta vs tors. theta energy: -219.968
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2481.818778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.818778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.837047 (E_RNA)
where:
Base-Base interactions energy: -1669.952
where: short stacking energy: -738.160
Base-Backbone interact. energy: -2.577
local terms energy: -811.307263
where:
bonds (distance) C4'-P energy: -151.883
bonds (distance) P-C4' energy: -154.531
flat angles C4'-P-C4' energy: -167.219
flat angles P-C4'-P energy: -116.691
tors. eta vs tors. theta energy: -220.984
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: 120
Temperature: 1.100000
Total energy: -2404.540352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.130756 (E_RNA)
where:
Base-Base interactions energy: -1671.525
where: short stacking energy: -679.827
Base-Backbone interact. energy: -2.567
local terms energy: -732.039462
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -148.205
flat angles C4'-P-C4' energy: -165.294
flat angles P-C4'-P energy: -102.749
tors. eta vs tors. theta energy: -195.566
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: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2212.600071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.600071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.427323 (E_RNA)
where:
Base-Base interactions energy: -1485.981
where: short stacking energy: -641.925
Base-Backbone interact. energy: -1.024
local terms energy: -727.422360
where:
bonds (distance) C4'-P energy: -129.221
bonds (distance) P-C4' energy: -161.018
flat angles C4'-P-C4' energy: -170.973
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -178.125
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2084.990298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.990298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.249797 (E_RNA)
where:
Base-Base interactions energy: -1417.415
where: short stacking energy: -612.079
Base-Backbone interact. energy: -2.583
local terms energy: -667.251675
where:
bonds (distance) C4'-P energy: -126.692
bonds (distance) P-C4' energy: -132.301
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -88.679
tors. eta vs tors. theta energy: -160.201
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: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2032.017841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.017841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.257322 (E_RNA)
where:
Base-Base interactions energy: -1384.395
where: short stacking energy: -587.484
Base-Backbone interact. energy: 9.398
local terms energy: -659.260266
where:
bonds (distance) C4'-P energy: -129.376
bonds (distance) P-C4' energy: -135.979
flat angles C4'-P-C4' energy: -137.450
flat angles P-C4'-P energy: -91.461
tors. eta vs tors. theta energy: -164.993
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: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1921.507120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.507120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.172103 (E_RNA)
where:
Base-Base interactions energy: -1287.668
where: short stacking energy: -551.651
Base-Backbone interact. energy: -1.877
local terms energy: -636.626276
where:
bonds (distance) C4'-P energy: -137.189
bonds (distance) P-C4' energy: -126.869
flat angles C4'-P-C4' energy: -138.741
flat angles P-C4'-P energy: -96.984
tors. eta vs tors. theta energy: -136.843
Dist. restrs. and SS energy: 4.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1866.551433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.551433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.675607 (E_RNA)
where:
Base-Base interactions energy: -1270.305
where: short stacking energy: -539.602
Base-Backbone interact. energy: -3.035
local terms energy: -596.335338
where:
bonds (distance) C4'-P energy: -121.899
bonds (distance) P-C4' energy: -122.453
flat angles C4'-P-C4' energy: -127.822
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -133.432
Dist. restrs. and SS energy: 3.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2764.300083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.300083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.841334 (E_RNA)
where:
Base-Base interactions energy: -1897.432
where: short stacking energy: -812.523
Base-Backbone interact. energy: 2.761
local terms energy: -871.170549
where:
bonds (distance) C4'-P energy: -165.846
bonds (distance) P-C4' energy: -155.616
flat angles C4'-P-C4' energy: -190.379
flat angles P-C4'-P energy: -122.055
tors. eta vs tors. theta energy: -237.275
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2693.750051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.750051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.820574 (E_RNA)
where:
Base-Base interactions energy: -1889.964
where: short stacking energy: -806.610
Base-Backbone interact. energy: 2.490
local terms energy: -808.346454
where:
bonds (distance) C4'-P energy: -147.602
bonds (distance) P-C4' energy: -150.568
flat angles C4'-P-C4' energy: -170.994
flat angles P-C4'-P energy: -112.917
tors. eta vs tors. theta energy: -226.266
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2563.755169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.755169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.067333 (E_RNA)
where:
Base-Base interactions energy: -1775.213
where: short stacking energy: -756.418
Base-Backbone interact. energy: 1.485
local terms energy: -792.339250
where:
bonds (distance) C4'-P energy: -133.297
bonds (distance) P-C4' energy: -154.832
flat angles C4'-P-C4' energy: -180.222
flat angles P-C4'-P energy: -112.995
tors. eta vs tors. theta energy: -210.993
Dist. restrs. and SS energy: 2.312 (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: 121
Temperature: 1.050000
Total energy: -2475.629218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.629218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.014516 (E_RNA)
where:
Base-Base interactions energy: -1662.168
where: short stacking energy: -703.288
Base-Backbone interact. energy: -1.300
local terms energy: -813.545946
where:
bonds (distance) C4'-P energy: -161.871
bonds (distance) P-C4' energy: -165.987
flat angles C4'-P-C4' energy: -167.323
flat angles P-C4'-P energy: -115.393
tors. eta vs tors. theta energy: -202.973
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2394.435477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.435477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.687969 (E_RNA)
where:
Base-Base interactions energy: -1601.087
where: short stacking energy: -689.941
Base-Backbone interact. energy: 4.681
local terms energy: -799.281601
where:
bonds (distance) C4'-P energy: -152.904
bonds (distance) P-C4' energy: -152.521
flat angles C4'-P-C4' energy: -173.912
flat angles P-C4'-P energy: -116.131
tors. eta vs tors. theta energy: -203.814
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: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2227.080274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.080274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.188566 (E_RNA)
where:
Base-Base interactions energy: -1491.313
where: short stacking energy: -640.943
Base-Backbone interact. energy: -2.107
local terms energy: -735.768802
where:
bonds (distance) C4'-P energy: -144.178
bonds (distance) P-C4' energy: -157.929
flat angles C4'-P-C4' energy: -160.548
flat angles P-C4'-P energy: -98.768
tors. eta vs tors. theta energy: -174.346
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: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2123.374035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.374035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.559132 (E_RNA)
where:
Base-Base interactions energy: -1457.697
where: short stacking energy: -636.428
Base-Backbone interact. energy: -4.157
local terms energy: -664.705985
where:
bonds (distance) C4'-P energy: -130.149
bonds (distance) P-C4' energy: -117.120
flat angles C4'-P-C4' energy: -154.063
flat angles P-C4'-P energy: -92.118
tors. eta vs tors. theta energy: -171.255
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2023.736198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.736198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.111365 (E_RNA)
where:
Base-Base interactions energy: -1356.488
where: short stacking energy: -548.856
Base-Backbone interact. energy: 1.568
local terms energy: -673.191272
where:
bonds (distance) C4'-P energy: -152.140
bonds (distance) P-C4' energy: -135.425
flat angles C4'-P-C4' energy: -154.151
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -139.966
Dist. restrs. and SS energy: 4.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1968.985087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.985087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.077621 (E_RNA)
where:
Base-Base interactions energy: -1332.125
where: short stacking energy: -574.253
Base-Backbone interact. energy: -0.771
local terms energy: -639.181375
where:
bonds (distance) C4'-P energy: -148.726
bonds (distance) P-C4' energy: -125.174
flat angles C4'-P-C4' energy: -128.246
flat angles P-C4'-P energy: -88.508
tors. eta vs tors. theta energy: -148.527
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: 121
Temperature: 1.350000
Total energy: -1857.070547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.070547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.621274 (E_RNA)
where:
Base-Base interactions energy: -1258.917
where: short stacking energy: -508.276
Base-Backbone interact. energy: 1.874
local terms energy: -602.578535
where:
bonds (distance) C4'-P energy: -115.839
bonds (distance) P-C4' energy: -129.549
flat angles C4'-P-C4' energy: -134.513
flat angles P-C4'-P energy: -86.352
tors. eta vs tors. theta energy: -136.325
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2745.855476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.855476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.182677 (E_RNA)
where:
Base-Base interactions energy: -1879.521
where: short stacking energy: -804.556
Base-Backbone interact. energy: -4.627
local terms energy: -864.034586
where:
bonds (distance) C4'-P energy: -178.375
bonds (distance) P-C4' energy: -164.831
flat angles C4'-P-C4' energy: -182.817
flat angles P-C4'-P energy: -123.996
tors. eta vs tors. theta energy: -214.016
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2733.676621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.676621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.145933 (E_RNA)
where:
Base-Base interactions energy: -1873.977
where: short stacking energy: -774.973
Base-Backbone interact. energy: 0.638
local terms energy: -862.806183
where:
bonds (distance) C4'-P energy: -159.680
bonds (distance) P-C4' energy: -163.728
flat angles C4'-P-C4' energy: -183.196
flat angles P-C4'-P energy: -132.468
tors. eta vs tors. theta energy: -223.734
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2594.425188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.425188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.472525 (E_RNA)
where:
Base-Base interactions energy: -1768.816
where: short stacking energy: -776.024
Base-Backbone interact. energy: -3.808
local terms energy: -822.848709
where:
bonds (distance) C4'-P energy: -146.113
bonds (distance) P-C4' energy: -171.690
flat angles C4'-P-C4' energy: -174.099
flat angles P-C4'-P energy: -110.036
tors. eta vs tors. theta energy: -220.910
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: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2470.578124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.578124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.555479 (E_RNA)
where:
Base-Base interactions energy: -1674.732
where: short stacking energy: -715.868
Base-Backbone interact. energy: -5.346
local terms energy: -792.476913
where:
bonds (distance) C4'-P energy: -135.592
bonds (distance) P-C4' energy: -149.110
flat angles C4'-P-C4' energy: -177.859
flat angles P-C4'-P energy: -120.270
tors. eta vs tors. theta energy: -209.646
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: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2333.820134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.820134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.241434 (E_RNA)
where:
Base-Base interactions energy: -1577.789
where: short stacking energy: -673.420
Base-Backbone interact. energy: 0.865
local terms energy: -759.317332
where:
bonds (distance) C4'-P energy: -145.270
bonds (distance) P-C4' energy: -162.587
flat angles C4'-P-C4' energy: -152.512
flat angles P-C4'-P energy: -102.940
tors. eta vs tors. theta energy: -196.008
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2207.631744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.631744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.795077 (E_RNA)
where:
Base-Base interactions energy: -1494.184
where: short stacking energy: -655.352
Base-Backbone interact. energy: -2.322
local terms energy: -713.288364
where:
bonds (distance) C4'-P energy: -144.514
bonds (distance) P-C4' energy: -126.074
flat angles C4'-P-C4' energy: -160.264
flat angles P-C4'-P energy: -111.940
tors. eta vs tors. theta energy: -170.496
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: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2093.879426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.879426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.120749 (E_RNA)
where:
Base-Base interactions energy: -1413.530
where: short stacking energy: -614.528
Base-Backbone interact. energy: -3.403
local terms energy: -679.187601
where:
bonds (distance) C4'-P energy: -123.614
bonds (distance) P-C4' energy: -135.617
flat angles C4'-P-C4' energy: -160.740
flat angles P-C4'-P energy: -99.045
tors. eta vs tors. theta energy: -160.171
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1999.912260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.912260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.933832 (E_RNA)
where:
Base-Base interactions energy: -1355.632
where: short stacking energy: -590.359
Base-Backbone interact. energy: -0.865
local terms energy: -646.437183
where:
bonds (distance) C4'-P energy: -122.759
bonds (distance) P-C4' energy: -128.606
flat angles C4'-P-C4' energy: -150.221
flat angles P-C4'-P energy: -89.332
tors. eta vs tors. theta energy: -155.519
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1925.340852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.340852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.176446 (E_RNA)
where:
Base-Base interactions energy: -1315.725
where: short stacking energy: -551.942
Base-Backbone interact. energy: 2.494
local terms energy: -614.945097
where:
bonds (distance) C4'-P energy: -113.942
bonds (distance) P-C4' energy: -136.138
flat angles C4'-P-C4' energy: -143.241
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -137.681
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1873.618217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.618217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.666177 (E_RNA)
where:
Base-Base interactions energy: -1264.348
where: short stacking energy: -535.356
Base-Backbone interact. energy: -4.574
local terms energy: -607.744108
where:
bonds (distance) C4'-P energy: -123.311
bonds (distance) P-C4' energy: -142.059
flat angles C4'-P-C4' energy: -129.020
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -126.189
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: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2740.261237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.261237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.989278 (E_RNA)
where:
Base-Base interactions energy: -1880.379
where: short stacking energy: -800.384
Base-Backbone interact. energy: 1.361
local terms energy: -863.970384
where:
bonds (distance) C4'-P energy: -159.284
bonds (distance) P-C4' energy: -160.332
flat angles C4'-P-C4' energy: -184.518
flat angles P-C4'-P energy: -121.467
tors. eta vs tors. theta energy: -238.370
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: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2723.287113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.287113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.835428 (E_RNA)
where:
Base-Base interactions energy: -1889.962
where: short stacking energy: -777.229
Base-Backbone interact. energy: -0.589
local terms energy: -836.284757
where:
bonds (distance) C4'-P energy: -167.057
bonds (distance) P-C4' energy: -153.569
flat angles C4'-P-C4' energy: -175.053
flat angles P-C4'-P energy: -123.367
tors. eta vs tors. theta energy: -217.239
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: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2599.531125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.531125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.642910 (E_RNA)
where:
Base-Base interactions energy: -1789.869
where: short stacking energy: -762.958
Base-Backbone interact. energy: -2.797
local terms energy: -808.977340
where:
bonds (distance) C4'-P energy: -152.291
bonds (distance) P-C4' energy: -153.317
flat angles C4'-P-C4' energy: -171.029
flat angles P-C4'-P energy: -109.340
tors. eta vs tors. theta energy: -223.000
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2453.433468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.433468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.713523 (E_RNA)
where:
Base-Base interactions energy: -1686.362
where: short stacking energy: -724.773
Base-Backbone interact. energy: 3.553
local terms energy: -771.904186
where:
bonds (distance) C4'-P energy: -131.545
bonds (distance) P-C4' energy: -155.737
flat angles C4'-P-C4' energy: -178.732
flat angles P-C4'-P energy: -96.388
tors. eta vs tors. theta energy: -209.502
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: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2381.128211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.128211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.763084 (E_RNA)
where:
Base-Base interactions energy: -1628.067
where: short stacking energy: -702.651
Base-Backbone interact. energy: -3.820
local terms energy: -751.875658
where:
bonds (distance) C4'-P energy: -146.462
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -167.626
flat angles P-C4'-P energy: -106.766
tors. eta vs tors. theta energy: -199.408
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: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2176.268344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.268344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.062945 (E_RNA)
where:
Base-Base interactions energy: -1441.462
where: short stacking energy: -612.451
Base-Backbone interact. energy: 3.882
local terms energy: -741.483588
where:
bonds (distance) C4'-P energy: -141.066
bonds (distance) P-C4' energy: -153.662
flat angles C4'-P-C4' energy: -173.693
flat angles P-C4'-P energy: -109.085
tors. eta vs tors. theta energy: -163.977
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2086.497697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.497697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.884292 (E_RNA)
where:
Base-Base interactions energy: -1422.102
where: short stacking energy: -606.397
Base-Backbone interact. energy: -1.444
local terms energy: -664.338387
where:
bonds (distance) C4'-P energy: -126.611
bonds (distance) P-C4' energy: -138.546
flat angles C4'-P-C4' energy: -151.842
flat angles P-C4'-P energy: -94.249
tors. eta vs tors. theta energy: -153.090
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: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2037.384305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.384305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.900547 (E_RNA)
where:
Base-Base interactions energy: -1373.380
where: short stacking energy: -596.147
Base-Backbone interact. energy: -1.675
local terms energy: -663.845697
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -132.279
flat angles C4'-P-C4' energy: -145.268
flat angles P-C4'-P energy: -98.570
tors. eta vs tors. theta energy: -159.835
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: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1962.874249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.874249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.736091 (E_RNA)
where:
Base-Base interactions energy: -1343.042
where: short stacking energy: -560.991
Base-Backbone interact. energy: -0.969
local terms energy: -620.724999
where:
bonds (distance) C4'-P energy: -134.855
bonds (distance) P-C4' energy: -135.166
flat angles C4'-P-C4' energy: -120.467
flat angles P-C4'-P energy: -92.176
tors. eta vs tors. theta energy: -138.061
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1934.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.978878 (E_RNA)
where:
Base-Base interactions energy: -1322.851
where: short stacking energy: -551.534
Base-Backbone interact. energy: -2.106
local terms energy: -613.022111
where:
bonds (distance) C4'-P energy: -138.119
bonds (distance) P-C4' energy: -115.433
flat angles C4'-P-C4' energy: -145.618
flat angles P-C4'-P energy: -85.292
tors. eta vs tors. theta energy: -128.561
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: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2750.563346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.563346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.337759 (E_RNA)
where:
Base-Base interactions energy: -1905.267
where: short stacking energy: -818.961
Base-Backbone interact. energy: -5.982
local terms energy: -842.089490
where:
bonds (distance) C4'-P energy: -145.840
bonds (distance) P-C4' energy: -151.669
flat angles C4'-P-C4' energy: -180.511
flat angles P-C4'-P energy: -131.432
tors. eta vs tors. theta energy: -232.638
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2771.828414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.828414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.287083 (E_RNA)
where:
Base-Base interactions energy: -1948.537
where: short stacking energy: -813.056
Base-Backbone interact. energy: -2.031
local terms energy: -823.719324
where:
bonds (distance) C4'-P energy: -146.636
bonds (distance) P-C4' energy: -154.592
flat angles C4'-P-C4' energy: -172.760
flat angles P-C4'-P energy: -112.725
tors. eta vs tors. theta energy: -237.007
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: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2606.625630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.625630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.601742 (E_RNA)
where:
Base-Base interactions energy: -1807.579
where: short stacking energy: -760.138
Base-Backbone interact. energy: -0.977
local terms energy: -799.045662
where:
bonds (distance) C4'-P energy: -132.065
bonds (distance) P-C4' energy: -158.106
flat angles C4'-P-C4' energy: -172.826
flat angles P-C4'-P energy: -120.587
tors. eta vs tors. theta energy: -215.462
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: 124
Temperature: 1.050000
Total energy: -2499.234242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.234242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.970915 (E_RNA)
where:
Base-Base interactions energy: -1693.617
where: short stacking energy: -715.491
Base-Backbone interact. energy: -3.248
local terms energy: -804.106004
where:
bonds (distance) C4'-P energy: -142.944
bonds (distance) P-C4' energy: -157.508
flat angles C4'-P-C4' energy: -181.694
flat angles P-C4'-P energy: -114.909
tors. eta vs tors. theta energy: -207.052
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: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2380.757616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.757616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.332714 (E_RNA)
where:
Base-Base interactions energy: -1649.324
where: short stacking energy: -707.476
Base-Backbone interact. energy: -2.881
local terms energy: -731.126869
where:
bonds (distance) C4'-P energy: -137.440
bonds (distance) P-C4' energy: -150.993
flat angles C4'-P-C4' energy: -160.180
flat angles P-C4'-P energy: -104.401
tors. eta vs tors. theta energy: -178.113
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2219.423133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.423133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.600418 (E_RNA)
where:
Base-Base interactions energy: -1486.267
where: short stacking energy: -649.200
Base-Backbone interact. energy: -2.401
local terms energy: -732.932568
where:
bonds (distance) C4'-P energy: -131.288
bonds (distance) P-C4' energy: -134.004
flat angles C4'-P-C4' energy: -166.752
flat angles P-C4'-P energy: -113.290
tors. eta vs tors. theta energy: -187.598
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: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2091.830985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.830985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.283644 (E_RNA)
where:
Base-Base interactions energy: -1419.620
where: short stacking energy: -629.222
Base-Backbone interact. energy: 4.152
local terms energy: -678.816270
where:
bonds (distance) C4'-P energy: -133.154
bonds (distance) P-C4' energy: -151.041
flat angles C4'-P-C4' energy: -149.780
flat angles P-C4'-P energy: -79.428
tors. eta vs tors. theta energy: -165.413
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: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2036.742312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.742312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.055058 (E_RNA)
where:
Base-Base interactions energy: -1384.337
where: short stacking energy: -566.193
Base-Backbone interact. energy: 2.267
local terms energy: -655.984222
where:
bonds (distance) C4'-P energy: -138.595
bonds (distance) P-C4' energy: -141.082
flat angles C4'-P-C4' energy: -157.246
flat angles P-C4'-P energy: -85.720
tors. eta vs tors. theta energy: -133.341
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1983.646847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.646847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.887281 (E_RNA)
where:
Base-Base interactions energy: -1348.334
where: short stacking energy: -586.377
Base-Backbone interact. energy: 0.347
local terms energy: -638.899609
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -109.462
flat angles C4'-P-C4' energy: -149.190
flat angles P-C4'-P energy: -84.284
tors. eta vs tors. theta energy: -162.387
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: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1856.127926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.127926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.243168 (E_RNA)
where:
Base-Base interactions energy: -1236.490
where: short stacking energy: -520.430
Base-Backbone interact. energy: 6.433
local terms energy: -629.186683
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -160.795
flat angles P-C4'-P energy: -83.962
tors. eta vs tors. theta energy: -141.702
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: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2750.820458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.820458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.390889 (E_RNA)
where:
Base-Base interactions energy: -1909.352
where: short stacking energy: -815.722
Base-Backbone interact. energy: -0.824
local terms energy: -843.215119
where:
bonds (distance) C4'-P energy: -136.309
bonds (distance) P-C4' energy: -156.075
flat angles C4'-P-C4' energy: -187.872
flat angles P-C4'-P energy: -117.448
tors. eta vs tors. theta energy: -245.512
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: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2745.113244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.113244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.647026 (E_RNA)
where:
Base-Base interactions energy: -1915.566
where: short stacking energy: -796.511
Base-Backbone interact. energy: -4.763
local terms energy: -827.317548
where:
bonds (distance) C4'-P energy: -154.034
bonds (distance) P-C4' energy: -158.341
flat angles C4'-P-C4' energy: -183.153
flat angles P-C4'-P energy: -97.212
tors. eta vs tors. theta energy: -234.578
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2601.300836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.300836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.643318 (E_RNA)
where:
Base-Base interactions energy: -1804.211
where: short stacking energy: -736.799
Base-Backbone interact. energy: -2.745
local terms energy: -795.687876
where:
bonds (distance) C4'-P energy: -139.021
bonds (distance) P-C4' energy: -152.940
flat angles C4'-P-C4' energy: -185.438
flat angles P-C4'-P energy: -109.536
tors. eta vs tors. theta energy: -208.753
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: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2488.021651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.021651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.015197 (E_RNA)
where:
Base-Base interactions energy: -1706.055
where: short stacking energy: -713.111
Base-Backbone interact. energy: 1.652
local terms energy: -785.612359
where:
bonds (distance) C4'-P energy: -143.030
bonds (distance) P-C4' energy: -152.750
flat angles C4'-P-C4' energy: -173.433
flat angles P-C4'-P energy: -98.630
tors. eta vs tors. theta energy: -217.770
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: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2369.415388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.415388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.302447 (E_RNA)
where:
Base-Base interactions energy: -1638.624
where: short stacking energy: -694.731
Base-Backbone interact. energy: 3.284
local terms energy: -735.962125
where:
bonds (distance) C4'-P energy: -129.029
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -163.409
flat angles P-C4'-P energy: -106.414
tors. eta vs tors. theta energy: -187.876
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: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2165.976846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.976846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.825779 (E_RNA)
where:
Base-Base interactions energy: -1458.202
where: short stacking energy: -623.389
Base-Backbone interact. energy: 1.306
local terms energy: -710.929755
where:
bonds (distance) C4'-P energy: -131.618
bonds (distance) P-C4' energy: -145.850
flat angles C4'-P-C4' energy: -166.737
flat angles P-C4'-P energy: -102.489
tors. eta vs tors. theta energy: -164.236
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2094.905823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.905823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.588278 (E_RNA)
where:
Base-Base interactions energy: -1402.283
where: short stacking energy: -606.805
Base-Backbone interact. energy: 3.201
local terms energy: -698.506078
where:
bonds (distance) C4'-P energy: -142.566
bonds (distance) P-C4' energy: -132.851
flat angles C4'-P-C4' energy: -160.651
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -163.914
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1990.906812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.906812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.932772 (E_RNA)
where:
Base-Base interactions energy: -1345.180
where: short stacking energy: -563.598
Base-Backbone interact. energy: 0.656
local terms energy: -649.409003
where:
bonds (distance) C4'-P energy: -114.508
bonds (distance) P-C4' energy: -140.973
flat angles C4'-P-C4' energy: -142.235
flat angles P-C4'-P energy: -100.979
tors. eta vs tors. theta energy: -150.714
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: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1969.036015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.036015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.467301 (E_RNA)
where:
Base-Base interactions energy: -1348.422
where: short stacking energy: -565.958
Base-Backbone interact. energy: 1.842
local terms energy: -624.887588
where:
bonds (distance) C4'-P energy: -117.484
bonds (distance) P-C4' energy: -123.231
flat angles C4'-P-C4' energy: -162.873
flat angles P-C4'-P energy: -73.031
tors. eta vs tors. theta energy: -148.268
Dist. restrs. and SS energy: 2.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1874.597641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.177822 (E_RNA)
where:
Base-Base interactions energy: -1283.930
where: short stacking energy: -550.238
Base-Backbone interact. energy: -1.784
local terms energy: -591.464692
where:
bonds (distance) C4'-P energy: -105.065
bonds (distance) P-C4' energy: -132.792
flat angles C4'-P-C4' energy: -123.924
flat angles P-C4'-P energy: -96.311
tors. eta vs tors. theta energy: -133.373
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: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2787.507046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.507046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.711290 (E_RNA)
where:
Base-Base interactions energy: -1903.543
where: short stacking energy: -830.420
Base-Backbone interact. energy: -7.010
local terms energy: -880.158483
where:
bonds (distance) C4'-P energy: -162.145
bonds (distance) P-C4' energy: -182.390
flat angles C4'-P-C4' energy: -173.340
flat angles P-C4'-P energy: -125.712
tors. eta vs tors. theta energy: -236.572
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: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2762.083499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.083499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.194122 (E_RNA)
where:
Base-Base interactions energy: -1914.468
where: short stacking energy: -801.110
Base-Backbone interact. energy: 3.420
local terms energy: -854.146937
where:
bonds (distance) C4'-P energy: -166.714
bonds (distance) P-C4' energy: -169.820
flat angles C4'-P-C4' energy: -191.217
flat angles P-C4'-P energy: -107.054
tors. eta vs tors. theta energy: -219.342
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2572.550373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.550373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.940993 (E_RNA)
where:
Base-Base interactions energy: -1765.628
where: short stacking energy: -741.753
Base-Backbone interact. energy: -1.392
local terms energy: -806.920206
where:
bonds (distance) C4'-P energy: -130.516
bonds (distance) P-C4' energy: -162.928
flat angles C4'-P-C4' energy: -195.011
flat angles P-C4'-P energy: -117.492
tors. eta vs tors. theta energy: -200.973
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2454.258841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.258841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.806292 (E_RNA)
where:
Base-Base interactions energy: -1679.279
where: short stacking energy: -710.355
Base-Backbone interact. energy: -3.179
local terms energy: -774.347919
where:
bonds (distance) C4'-P energy: -149.741
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -166.169
flat angles P-C4'-P energy: -98.116
tors. eta vs tors. theta energy: -211.243
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2368.793810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.793810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.818750 (E_RNA)
where:
Base-Base interactions energy: -1608.490
where: short stacking energy: -662.279
Base-Backbone interact. energy: -3.494
local terms energy: -758.835394
where:
bonds (distance) C4'-P energy: -144.174
bonds (distance) P-C4' energy: -145.858
flat angles C4'-P-C4' energy: -179.668
flat angles P-C4'-P energy: -107.463
tors. eta vs tors. theta energy: -181.673
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2193.681301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.681301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.108980 (E_RNA)
where:
Base-Base interactions energy: -1457.665
where: short stacking energy: -641.275
Base-Backbone interact. energy: -2.237
local terms energy: -735.206856
where:
bonds (distance) C4'-P energy: -141.498
bonds (distance) P-C4' energy: -152.121
flat angles C4'-P-C4' energy: -165.632
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -175.291
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: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2131.180957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.180957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.733101 (E_RNA)
where:
Base-Base interactions energy: -1445.231
where: short stacking energy: -633.527
Base-Backbone interact. energy: 1.873
local terms energy: -690.375660
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -143.636
flat angles C4'-P-C4' energy: -161.676
flat angles P-C4'-P energy: -97.665
tors. eta vs tors. theta energy: -173.779
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2030.513023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.513023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.750472 (E_RNA)
where:
Base-Base interactions energy: -1375.286
where: short stacking energy: -586.171
Base-Backbone interact. energy: -3.071
local terms energy: -655.392548
where:
bonds (distance) C4'-P energy: -146.200
bonds (distance) P-C4' energy: -134.053
flat angles C4'-P-C4' energy: -146.826
flat angles P-C4'-P energy: -79.628
tors. eta vs tors. theta energy: -148.685
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: 126
Temperature: 1.300000
Total energy: -1994.827633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.827633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.430582 (E_RNA)
where:
Base-Base interactions energy: -1364.057
where: short stacking energy: -575.325
Base-Backbone interact. energy: -2.679
local terms energy: -629.695365
where:
bonds (distance) C4'-P energy: -134.557
bonds (distance) P-C4' energy: -112.897
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -91.344
tors. eta vs tors. theta energy: -137.715
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: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1866.431348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.431348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.190609 (E_RNA)
where:
Base-Base interactions energy: -1263.241
where: short stacking energy: -536.181
Base-Backbone interact. energy: -2.365
local terms energy: -606.584935
where:
bonds (distance) C4'-P energy: -134.486
bonds (distance) P-C4' energy: -114.185
flat angles C4'-P-C4' energy: -144.068
flat angles P-C4'-P energy: -88.361
tors. eta vs tors. theta energy: -125.486
Dist. restrs. and SS energy: 5.759 (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: 127
Temperature: 0.900000
Total energy: -2745.626318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.626318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.406288 (E_RNA)
where:
Base-Base interactions energy: -1898.185
where: short stacking energy: -795.052
Base-Backbone interact. energy: -2.403
local terms energy: -846.818944
where:
bonds (distance) C4'-P energy: -153.051
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -177.591
flat angles P-C4'-P energy: -124.910
tors. eta vs tors. theta energy: -235.687
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: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2779.755678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.755678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.825247 (E_RNA)
where:
Base-Base interactions energy: -1930.859
where: short stacking energy: -796.118
Base-Backbone interact. energy: -2.934
local terms energy: -848.031938
where:
bonds (distance) C4'-P energy: -150.930
bonds (distance) P-C4' energy: -160.044
flat angles C4'-P-C4' energy: -175.616
flat angles P-C4'-P energy: -125.762
tors. eta vs tors. theta energy: -235.681
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: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2529.676917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.676917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.815778 (E_RNA)
where:
Base-Base interactions energy: -1733.718
where: short stacking energy: -749.221
Base-Backbone interact. energy: -0.209
local terms energy: -796.889034
where:
bonds (distance) C4'-P energy: -138.498
bonds (distance) P-C4' energy: -151.315
flat angles C4'-P-C4' energy: -174.052
flat angles P-C4'-P energy: -123.035
tors. eta vs tors. theta energy: -209.989
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2450.484904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.484904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.696255 (E_RNA)
where:
Base-Base interactions energy: -1675.116
where: short stacking energy: -712.673
Base-Backbone interact. energy: -3.038
local terms energy: -774.542205
where:
bonds (distance) C4'-P energy: -142.057
bonds (distance) P-C4' energy: -158.914
flat angles C4'-P-C4' energy: -169.814
flat angles P-C4'-P energy: -112.524
tors. eta vs tors. theta energy: -191.234
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2370.277520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.277520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.972127 (E_RNA)
where:
Base-Base interactions energy: -1626.701
where: short stacking energy: -663.941
Base-Backbone interact. energy: -0.721
local terms energy: -744.549590
where:
bonds (distance) C4'-P energy: -140.455
bonds (distance) P-C4' energy: -147.821
flat angles C4'-P-C4' energy: -161.475
flat angles P-C4'-P energy: -105.870
tors. eta vs tors. theta energy: -188.928
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: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2221.524478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.524478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.145191 (E_RNA)
where:
Base-Base interactions energy: -1496.991
where: short stacking energy: -642.473
Base-Backbone interact. energy: 0.134
local terms energy: -727.287548
where:
bonds (distance) C4'-P energy: -129.344
bonds (distance) P-C4' energy: -145.668
flat angles C4'-P-C4' energy: -170.328
flat angles P-C4'-P energy: -109.883
tors. eta vs tors. theta energy: -172.065
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: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2043.531824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.531824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.859903 (E_RNA)
where:
Base-Base interactions energy: -1372.841
where: short stacking energy: -577.631
Base-Backbone interact. energy: -4.892
local terms energy: -668.126500
where:
bonds (distance) C4'-P energy: -127.623
bonds (distance) P-C4' energy: -131.646
flat angles C4'-P-C4' energy: -154.631
flat angles P-C4'-P energy: -99.239
tors. eta vs tors. theta energy: -154.988
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: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2035.675648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.675648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.186526 (E_RNA)
where:
Base-Base interactions energy: -1400.749
where: short stacking energy: -571.176
Base-Backbone interact. energy: -0.960
local terms energy: -637.477848
where:
bonds (distance) C4'-P energy: -120.947
bonds (distance) P-C4' energy: -142.673
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -105.580
tors. eta vs tors. theta energy: -129.707
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: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1927.351974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.351974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.178222 (E_RNA)
where:
Base-Base interactions energy: -1334.734
where: short stacking energy: -543.153
Base-Backbone interact. energy: 3.739
local terms energy: -600.183805
where:
bonds (distance) C4'-P energy: -120.834
bonds (distance) P-C4' energy: -131.546
flat angles C4'-P-C4' energy: -110.180
flat angles P-C4'-P energy: -88.668
tors. eta vs tors. theta energy: -148.957
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: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1852.247111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.247111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.433780 (E_RNA)
where:
Base-Base interactions energy: -1248.829
where: short stacking energy: -518.446
Base-Backbone interact. energy: -0.991
local terms energy: -606.614626
where:
bonds (distance) C4'-P energy: -107.934
bonds (distance) P-C4' energy: -131.528
flat angles C4'-P-C4' energy: -147.011
flat angles P-C4'-P energy: -96.794
tors. eta vs tors. theta energy: -123.348
Dist. restrs. and SS energy: 4.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2816.508832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.508832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.811683 (E_RNA)
where:
Base-Base interactions energy: -1934.114
where: short stacking energy: -801.481
Base-Backbone interact. energy: -3.046
local terms energy: -881.651674
where:
bonds (distance) C4'-P energy: -152.854
bonds (distance) P-C4' energy: -172.810
flat angles C4'-P-C4' energy: -189.594
flat angles P-C4'-P energy: -128.629
tors. eta vs tors. theta energy: -237.764
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2715.039602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.039602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.092447 (E_RNA)
where:
Base-Base interactions energy: -1865.762
where: short stacking energy: -798.194
Base-Backbone interact. energy: -2.744
local terms energy: -849.585917
where:
bonds (distance) C4'-P energy: -162.192
bonds (distance) P-C4' energy: -158.424
flat angles C4'-P-C4' energy: -189.094
flat angles P-C4'-P energy: -108.102
tors. eta vs tors. theta energy: -231.774
Dist. restrs. and SS energy: 3.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2498.336733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.336733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.733970 (E_RNA)
where:
Base-Base interactions energy: -1675.472
where: short stacking energy: -730.168
Base-Backbone interact. energy: -3.944
local terms energy: -820.317453
where:
bonds (distance) C4'-P energy: -149.867
bonds (distance) P-C4' energy: -163.744
flat angles C4'-P-C4' energy: -173.974
flat angles P-C4'-P energy: -114.838
tors. eta vs tors. theta energy: -217.895
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2490.362912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.362912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.824102 (E_RNA)
where:
Base-Base interactions energy: -1744.805
where: short stacking energy: -740.684
Base-Backbone interact. energy: -2.048
local terms energy: -744.970883
where:
bonds (distance) C4'-P energy: -127.829
bonds (distance) P-C4' energy: -144.001
flat angles C4'-P-C4' energy: -165.318
flat angles P-C4'-P energy: -103.039
tors. eta vs tors. theta energy: -204.784
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: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2361.842155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.842155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.336177 (E_RNA)
where:
Base-Base interactions energy: -1629.657
where: short stacking energy: -703.537
Base-Backbone interact. energy: 1.200
local terms energy: -734.879267
where:
bonds (distance) C4'-P energy: -113.895
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -177.645
flat angles P-C4'-P energy: -111.102
tors. eta vs tors. theta energy: -196.902
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: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2148.136371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.136371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.866622 (E_RNA)
where:
Base-Base interactions energy: -1485.237
where: short stacking energy: -636.947
Base-Backbone interact. energy: -2.060
local terms energy: -666.569641
where:
bonds (distance) C4'-P energy: -144.596
bonds (distance) P-C4' energy: -130.772
flat angles C4'-P-C4' energy: -146.296
flat angles P-C4'-P energy: -76.657
tors. eta vs tors. theta energy: -168.248
Dist. restrs. and SS energy: 5.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2107.342268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.342268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.217713 (E_RNA)
where:
Base-Base interactions energy: -1421.716
where: short stacking energy: -604.802
Base-Backbone interact. energy: -1.126
local terms energy: -687.375279
where:
bonds (distance) C4'-P energy: -138.438
bonds (distance) P-C4' energy: -135.908
flat angles C4'-P-C4' energy: -158.192
flat angles P-C4'-P energy: -96.468
tors. eta vs tors. theta energy: -158.369
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: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2015.380779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.380779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.134183 (E_RNA)
where:
Base-Base interactions energy: -1333.883
where: short stacking energy: -553.286
Base-Backbone interact. energy: -1.954
local terms energy: -682.297463
where:
bonds (distance) C4'-P energy: -151.051
bonds (distance) P-C4' energy: -155.021
flat angles C4'-P-C4' energy: -137.155
flat angles P-C4'-P energy: -92.018
tors. eta vs tors. theta energy: -147.052
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1943.125598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.125598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.104317 (E_RNA)
where:
Base-Base interactions energy: -1345.428
where: short stacking energy: -575.222
Base-Backbone interact. energy: 3.835
local terms energy: -604.511418
where:
bonds (distance) C4'-P energy: -109.798
bonds (distance) P-C4' energy: -143.791
flat angles C4'-P-C4' energy: -149.011
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: -130.845
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1870.028838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.028838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.172918 (E_RNA)
where:
Base-Base interactions energy: -1259.606
where: short stacking energy: -518.712
Base-Backbone interact. energy: 1.584
local terms energy: -615.151277
where:
bonds (distance) C4'-P energy: -120.030
bonds (distance) P-C4' energy: -127.011
flat angles C4'-P-C4' energy: -146.414
flat angles P-C4'-P energy: -86.403
tors. eta vs tors. theta energy: -135.293
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: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2821.109129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.109129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.006283 (E_RNA)
where:
Base-Base interactions energy: -1957.211
where: short stacking energy: -818.443
Base-Backbone interact. energy: -5.660
local terms energy: -861.134928
where:
bonds (distance) C4'-P energy: -162.458
bonds (distance) P-C4' energy: -164.433
flat angles C4'-P-C4' energy: -182.921
flat angles P-C4'-P energy: -110.592
tors. eta vs tors. theta energy: -240.731
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2712.788955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.788955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.164152 (E_RNA)
where:
Base-Base interactions energy: -1853.186
where: short stacking energy: -827.541
Base-Backbone interact. energy: -1.480
local terms energy: -860.498093
where:
bonds (distance) C4'-P energy: -160.422
bonds (distance) P-C4' energy: -157.295
flat angles C4'-P-C4' energy: -178.417
flat angles P-C4'-P energy: -131.955
tors. eta vs tors. theta energy: -232.408
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2514.438052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.438052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.802859 (E_RNA)
where:
Base-Base interactions energy: -1705.876
where: short stacking energy: -711.659
Base-Backbone interact. energy: -0.717
local terms energy: -809.209568
where:
bonds (distance) C4'-P energy: -157.789
bonds (distance) P-C4' energy: -153.409
flat angles C4'-P-C4' energy: -175.714
flat angles P-C4'-P energy: -116.872
tors. eta vs tors. theta energy: -205.426
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: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2478.221614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.221614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.419927 (E_RNA)
where:
Base-Base interactions energy: -1699.866
where: short stacking energy: -756.254
Base-Backbone interact. energy: 1.179
local terms energy: -782.733428
where:
bonds (distance) C4'-P energy: -143.548
bonds (distance) P-C4' energy: -153.810
flat angles C4'-P-C4' energy: -158.004
flat angles P-C4'-P energy: -119.615
tors. eta vs tors. theta energy: -207.756
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: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2376.718635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.718635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.470455 (E_RNA)
where:
Base-Base interactions energy: -1599.951
where: short stacking energy: -685.290
Base-Backbone interact. energy: -3.542
local terms energy: -774.977789
where:
bonds (distance) C4'-P energy: -168.106
bonds (distance) P-C4' energy: -149.401
flat angles C4'-P-C4' energy: -163.178
flat angles P-C4'-P energy: -102.549
tors. eta vs tors. theta energy: -191.743
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2197.405353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.405353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.140105 (E_RNA)
where:
Base-Base interactions energy: -1473.508
where: short stacking energy: -619.905
Base-Backbone interact. energy: 3.468
local terms energy: -731.100175
where:
bonds (distance) C4'-P energy: -136.616
bonds (distance) P-C4' energy: -145.145
flat angles C4'-P-C4' energy: -157.200
flat angles P-C4'-P energy: -125.315
tors. eta vs tors. theta energy: -166.824
Dist. restrs. and SS energy: 3.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2148.992494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.992494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.108795 (E_RNA)
where:
Base-Base interactions energy: -1445.822
where: short stacking energy: -615.882
Base-Backbone interact. energy: 1.111
local terms energy: -707.397254
where:
bonds (distance) C4'-P energy: -136.460
bonds (distance) P-C4' energy: -152.598
flat angles C4'-P-C4' energy: -154.000
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -169.337
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: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1984.622132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.622132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.883368 (E_RNA)
where:
Base-Base interactions energy: -1350.448
where: short stacking energy: -566.505
Base-Backbone interact. energy: 2.106
local terms energy: -639.540877
where:
bonds (distance) C4'-P energy: -136.682
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -131.735
flat angles P-C4'-P energy: -95.141
tors. eta vs tors. theta energy: -132.117
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: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1955.957520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.957520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.176466 (E_RNA)
where:
Base-Base interactions energy: -1329.366
where: short stacking energy: -571.682
Base-Backbone interact. energy: -1.556
local terms energy: -627.255273
where:
bonds (distance) C4'-P energy: -126.214
bonds (distance) P-C4' energy: -115.397
flat angles C4'-P-C4' energy: -148.019
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -147.868
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1892.512412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.512412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.160943 (E_RNA)
where:
Base-Base interactions energy: -1257.972
where: short stacking energy: -533.304
Base-Backbone interact. energy: 1.889
local terms energy: -639.077895
where:
bonds (distance) C4'-P energy: -120.711
bonds (distance) P-C4' energy: -135.545
flat angles C4'-P-C4' energy: -149.159
flat angles P-C4'-P energy: -95.717
tors. eta vs tors. theta energy: -137.946
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: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2835.353776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.353776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.472231 (E_RNA)
where:
Base-Base interactions energy: -1977.496
where: short stacking energy: -813.172
Base-Backbone interact. energy: 0.013
local terms energy: -859.989288
where:
bonds (distance) C4'-P energy: -169.124
bonds (distance) P-C4' energy: -153.973
flat angles C4'-P-C4' energy: -183.060
flat angles P-C4'-P energy: -114.097
tors. eta vs tors. theta energy: -239.735
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: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2683.421192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.421192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.305994 (E_RNA)
where:
Base-Base interactions energy: -1836.648
where: short stacking energy: -788.559
Base-Backbone interact. energy: -3.443
local terms energy: -845.215342
where:
bonds (distance) C4'-P energy: -169.612
bonds (distance) P-C4' energy: -164.594
flat angles C4'-P-C4' energy: -176.752
flat angles P-C4'-P energy: -108.064
tors. eta vs tors. theta energy: -226.194
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2553.063293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.063293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.226093 (E_RNA)
where:
Base-Base interactions energy: -1759.661
where: short stacking energy: -765.747
Base-Backbone interact. energy: -5.116
local terms energy: -790.449515
where:
bonds (distance) C4'-P energy: -159.931
bonds (distance) P-C4' energy: -123.976
flat angles C4'-P-C4' energy: -170.418
flat angles P-C4'-P energy: -103.760
tors. eta vs tors. theta energy: -232.365
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: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2438.435513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.435513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.544673 (E_RNA)
where:
Base-Base interactions energy: -1696.566
where: short stacking energy: -728.320
Base-Backbone interact. energy: 6.777
local terms energy: -749.755513
where:
bonds (distance) C4'-P energy: -157.554
bonds (distance) P-C4' energy: -144.150
flat angles C4'-P-C4' energy: -166.585
flat angles P-C4'-P energy: -94.802
tors. eta vs tors. theta energy: -186.664
Dist. restrs. and SS energy: 1.109 (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: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2405.429489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.595182 (E_RNA)
where:
Base-Base interactions energy: -1613.456
where: short stacking energy: -686.627
Base-Backbone interact. energy: 0.460
local terms energy: -793.599274
where:
bonds (distance) C4'-P energy: -152.063
bonds (distance) P-C4' energy: -151.398
flat angles C4'-P-C4' energy: -171.264
flat angles P-C4'-P energy: -116.752
tors. eta vs tors. theta energy: -202.121
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: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2185.016716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.016716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.942597 (E_RNA)
where:
Base-Base interactions energy: -1452.501
where: short stacking energy: -653.705
Base-Backbone interact. energy: 0.624
local terms energy: -739.065561
where:
bonds (distance) C4'-P energy: -147.515
bonds (distance) P-C4' energy: -153.381
flat angles C4'-P-C4' energy: -158.175
flat angles P-C4'-P energy: -102.362
tors. eta vs tors. theta energy: -177.633
Dist. restrs. and SS energy: 5.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2173.066194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.066194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.099401 (E_RNA)
where:
Base-Base interactions energy: -1453.915
where: short stacking energy: -607.083
Base-Backbone interact. energy: 3.120
local terms energy: -724.305245
where:
bonds (distance) C4'-P energy: -117.246
bonds (distance) P-C4' energy: -154.883
flat angles C4'-P-C4' energy: -166.648
flat angles P-C4'-P energy: -104.641
tors. eta vs tors. theta energy: -180.886
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: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1987.706613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.706613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.230347 (E_RNA)
where:
Base-Base interactions energy: -1310.564
where: short stacking energy: -563.198
Base-Backbone interact. energy: 0.249
local terms energy: -680.915184
where:
bonds (distance) C4'-P energy: -147.331
bonds (distance) P-C4' energy: -134.686
flat angles C4'-P-C4' energy: -154.614
flat angles P-C4'-P energy: -87.776
tors. eta vs tors. theta energy: -156.509
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1953.508964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.508964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.049058 (E_RNA)
where:
Base-Base interactions energy: -1348.121
where: short stacking energy: -563.950
Base-Backbone interact. energy: -0.028
local terms energy: -606.899351
where:
bonds (distance) C4'-P energy: -113.970
bonds (distance) P-C4' energy: -132.159
flat angles C4'-P-C4' energy: -137.997
flat angles P-C4'-P energy: -85.431
tors. eta vs tors. theta energy: -137.342
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: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1854.206586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.206586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.008133 (E_RNA)
where:
Base-Base interactions energy: -1278.036
where: short stacking energy: -541.839
Base-Backbone interact. energy: -0.019
local terms energy: -580.953081
where:
bonds (distance) C4'-P energy: -121.370
bonds (distance) P-C4' energy: -117.849
flat angles C4'-P-C4' energy: -122.965
flat angles P-C4'-P energy: -82.268
tors. eta vs tors. theta energy: -136.502
Dist. restrs. and SS energy: 4.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2845.078072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.078072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.930466 (E_RNA)
where:
Base-Base interactions energy: -1961.001
where: short stacking energy: -798.390
Base-Backbone interact. energy: -5.491
local terms energy: -881.438318
where:
bonds (distance) C4'-P energy: -168.975
bonds (distance) P-C4' energy: -180.559
flat angles C4'-P-C4' energy: -186.445
flat angles P-C4'-P energy: -116.102
tors. eta vs tors. theta energy: -229.358
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: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2713.200424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.200424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.257505 (E_RNA)
where:
Base-Base interactions energy: -1828.701
where: short stacking energy: -771.966
Base-Backbone interact. energy: -3.447
local terms energy: -884.109135
where:
bonds (distance) C4'-P energy: -169.401
bonds (distance) P-C4' energy: -176.373
flat angles C4'-P-C4' energy: -182.459
flat angles P-C4'-P energy: -123.987
tors. eta vs tors. theta energy: -231.890
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2566.335932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.335932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.543446 (E_RNA)
where:
Base-Base interactions energy: -1766.774
where: short stacking energy: -761.651
Base-Backbone interact. energy: -5.045
local terms energy: -796.725267
where:
bonds (distance) C4'-P energy: -157.541
bonds (distance) P-C4' energy: -144.764
flat angles C4'-P-C4' energy: -170.672
flat angles P-C4'-P energy: -97.535
tors. eta vs tors. theta energy: -226.214
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2457.625264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.625264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.857967 (E_RNA)
where:
Base-Base interactions energy: -1690.775
where: short stacking energy: -733.364
Base-Backbone interact. energy: -2.661
local terms energy: -765.421917
where:
bonds (distance) C4'-P energy: -137.804
bonds (distance) P-C4' energy: -138.905
flat angles C4'-P-C4' energy: -187.545
flat angles P-C4'-P energy: -109.570
tors. eta vs tors. theta energy: -191.598
Dist. restrs. and SS energy: 1.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2419.059025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.059025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.284864 (E_RNA)
where:
Base-Base interactions energy: -1648.005
where: short stacking energy: -695.697
Base-Backbone interact. energy: -1.274
local terms energy: -772.005802
where:
bonds (distance) C4'-P energy: -134.512
bonds (distance) P-C4' energy: -146.188
flat angles C4'-P-C4' energy: -163.794
flat angles P-C4'-P energy: -127.666
tors. eta vs tors. theta energy: -199.846
Dist. restrs. and SS energy: 2.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2135.648114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.648114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.401822 (E_RNA)
where:
Base-Base interactions energy: -1452.955
where: short stacking energy: -623.105
Base-Backbone interact. energy: -4.140
local terms energy: -681.306576
where:
bonds (distance) C4'-P energy: -136.916
bonds (distance) P-C4' energy: -132.979
flat angles C4'-P-C4' energy: -140.331
flat angles P-C4'-P energy: -112.916
tors. eta vs tors. theta energy: -158.165
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: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2109.770269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.770269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.353757 (E_RNA)
where:
Base-Base interactions energy: -1410.986
where: short stacking energy: -610.145
Base-Backbone interact. energy: 0.021
local terms energy: -701.388840
where:
bonds (distance) C4'-P energy: -138.904
bonds (distance) P-C4' energy: -140.339
flat angles C4'-P-C4' energy: -154.777
flat angles P-C4'-P energy: -102.831
tors. eta vs tors. theta energy: -164.537
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2030.492958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.492958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.789055 (E_RNA)
where:
Base-Base interactions energy: -1363.728
where: short stacking energy: -578.385
Base-Backbone interact. energy: -0.158
local terms energy: -668.902968
where:
bonds (distance) C4'-P energy: -112.256
bonds (distance) P-C4' energy: -138.372
flat angles C4'-P-C4' energy: -148.413
flat angles P-C4'-P energy: -108.877
tors. eta vs tors. theta energy: -160.985
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: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1920.226476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.226476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.724796 (E_RNA)
where:
Base-Base interactions energy: -1288.787
where: short stacking energy: -537.735
Base-Backbone interact. energy: 2.105
local terms energy: -637.042178
where:
bonds (distance) C4'-P energy: -134.770
bonds (distance) P-C4' energy: -145.112
flat angles C4'-P-C4' energy: -141.438
flat angles P-C4'-P energy: -78.282
tors. eta vs tors. theta energy: -137.440
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: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1866.375081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.375081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.282574 (E_RNA)
where:
Base-Base interactions energy: -1250.412
where: short stacking energy: -523.691
Base-Backbone interact. energy: 10.788
local terms energy: -629.659134
where:
bonds (distance) C4'-P energy: -118.465
bonds (distance) P-C4' energy: -150.156
flat angles C4'-P-C4' energy: -144.676
flat angles P-C4'-P energy: -81.013
tors. eta vs tors. theta energy: -135.350
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: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2832.193266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.193266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.894081 (E_RNA)
where:
Base-Base interactions energy: -1937.378
where: short stacking energy: -818.715
Base-Backbone interact. energy: -3.540
local terms energy: -893.975909
where:
bonds (distance) C4'-P energy: -177.334
bonds (distance) P-C4' energy: -176.083
flat angles C4'-P-C4' energy: -171.993
flat angles P-C4'-P energy: -133.370
tors. eta vs tors. theta energy: -235.196
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2693.646252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.646252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.940499 (E_RNA)
where:
Base-Base interactions energy: -1863.160
where: short stacking energy: -775.727
Base-Backbone interact. energy: -1.951
local terms energy: -829.829559
where:
bonds (distance) C4'-P energy: -165.820
bonds (distance) P-C4' energy: -152.614
flat angles C4'-P-C4' energy: -173.638
flat angles P-C4'-P energy: -106.968
tors. eta vs tors. theta energy: -230.789
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2577.322563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.322563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.198222 (E_RNA)
where:
Base-Base interactions energy: -1760.873
where: short stacking energy: -758.133
Base-Backbone interact. energy: -2.176
local terms energy: -816.149484
where:
bonds (distance) C4'-P energy: -138.773
bonds (distance) P-C4' energy: -163.513
flat angles C4'-P-C4' energy: -179.128
flat angles P-C4'-P energy: -117.450
tors. eta vs tors. theta energy: -217.285
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: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2440.729104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.729104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.554203 (E_RNA)
where:
Base-Base interactions energy: -1639.663
where: short stacking energy: -711.176
Base-Backbone interact. energy: -3.195
local terms energy: -799.696200
where:
bonds (distance) C4'-P energy: -146.126
bonds (distance) P-C4' energy: -155.195
flat angles C4'-P-C4' energy: -167.967
flat angles P-C4'-P energy: -117.234
tors. eta vs tors. theta energy: -213.174
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: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2409.781362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.781362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.504305 (E_RNA)
where:
Base-Base interactions energy: -1644.255
where: short stacking energy: -702.833
Base-Backbone interact. energy: 2.372
local terms energy: -769.620703
where:
bonds (distance) C4'-P energy: -142.917
bonds (distance) P-C4' energy: -146.193
flat angles C4'-P-C4' energy: -169.987
flat angles P-C4'-P energy: -110.295
tors. eta vs tors. theta energy: -200.229
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2158.276266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.276266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.859442 (E_RNA)
where:
Base-Base interactions energy: -1453.379
where: short stacking energy: -638.472
Base-Backbone interact. energy: -1.949
local terms energy: -705.530622
where:
bonds (distance) C4'-P energy: -138.593
bonds (distance) P-C4' energy: -132.256
flat angles C4'-P-C4' energy: -172.562
flat angles P-C4'-P energy: -101.296
tors. eta vs tors. theta energy: -160.823
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2087.566924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.566924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.927494 (E_RNA)
where:
Base-Base interactions energy: -1404.933
where: short stacking energy: -612.336
Base-Backbone interact. energy: -2.749
local terms energy: -681.245067
where:
bonds (distance) C4'-P energy: -109.353
bonds (distance) P-C4' energy: -133.990
flat angles C4'-P-C4' energy: -163.634
flat angles P-C4'-P energy: -109.929
tors. eta vs tors. theta energy: -164.339
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2018.810235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.810235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.967812 (E_RNA)
where:
Base-Base interactions energy: -1338.693
where: short stacking energy: -588.091
Base-Backbone interact. energy: -2.562
local terms energy: -680.711976
where:
bonds (distance) C4'-P energy: -122.952
bonds (distance) P-C4' energy: -143.724
flat angles C4'-P-C4' energy: -169.194
flat angles P-C4'-P energy: -97.243
tors. eta vs tors. theta energy: -147.599
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1911.737886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.737886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.454555 (E_RNA)
where:
Base-Base interactions energy: -1299.720
where: short stacking energy: -540.801
Base-Backbone interact. energy: -0.445
local terms energy: -614.289511
where:
bonds (distance) C4'-P energy: -136.647
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -149.873
flat angles P-C4'-P energy: -89.629
tors. eta vs tors. theta energy: -124.896
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: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1874.073371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.073371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.226185 (E_RNA)
where:
Base-Base interactions energy: -1290.460
where: short stacking energy: -539.221
Base-Backbone interact. energy: 10.668
local terms energy: -597.434041
where:
bonds (distance) C4'-P energy: -108.587
bonds (distance) P-C4' energy: -140.531
flat angles C4'-P-C4' energy: -134.269
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -140.639
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2829.969681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.969681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.206777 (E_RNA)
where:
Base-Base interactions energy: -1975.506
where: short stacking energy: -829.290
Base-Backbone interact. energy: -4.373
local terms energy: -852.327431
where:
bonds (distance) C4'-P energy: -144.036
bonds (distance) P-C4' energy: -153.384
flat angles C4'-P-C4' energy: -194.574
flat angles P-C4'-P energy: -119.093
tors. eta vs tors. theta energy: -241.240
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2683.260835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.260835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.065633 (E_RNA)
where:
Base-Base interactions energy: -1857.837
where: short stacking energy: -775.001
Base-Backbone interact. energy: -3.911
local terms energy: -822.317797
where:
bonds (distance) C4'-P energy: -143.640
bonds (distance) P-C4' energy: -163.750
flat angles C4'-P-C4' energy: -169.875
flat angles P-C4'-P energy: -131.106
tors. eta vs tors. theta energy: -213.947
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2584.380882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.380882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.840074 (E_RNA)
where:
Base-Base interactions energy: -1746.919
where: short stacking energy: -771.371
Base-Backbone interact. energy: -4.941
local terms energy: -833.979624
where:
bonds (distance) C4'-P energy: -156.029
bonds (distance) P-C4' energy: -163.997
flat angles C4'-P-C4' energy: -177.217
flat angles P-C4'-P energy: -113.849
tors. eta vs tors. theta energy: -222.887
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: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2463.350438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.350438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.545843 (E_RNA)
where:
Base-Base interactions energy: -1673.593
where: short stacking energy: -727.795
Base-Backbone interact. energy: -1.013
local terms energy: -789.940077
where:
bonds (distance) C4'-P energy: -143.422
bonds (distance) P-C4' energy: -146.602
flat angles C4'-P-C4' energy: -176.190
flat angles P-C4'-P energy: -100.446
tors. eta vs tors. theta energy: -223.279
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2375.607999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.607999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.801520 (E_RNA)
where:
Base-Base interactions energy: -1616.439
where: short stacking energy: -675.978
Base-Backbone interact. energy: 0.897
local terms energy: -763.259099
where:
bonds (distance) C4'-P energy: -142.953
bonds (distance) P-C4' energy: -157.686
flat angles C4'-P-C4' energy: -163.340
flat angles P-C4'-P energy: -109.102
tors. eta vs tors. theta energy: -190.178
Dist. restrs. and SS energy: 3.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2166.238434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.238434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.680534 (E_RNA)
where:
Base-Base interactions energy: -1480.970
where: short stacking energy: -645.051
Base-Backbone interact. energy: 7.838
local terms energy: -695.549113
where:
bonds (distance) C4'-P energy: -130.450
bonds (distance) P-C4' energy: -137.538
flat angles C4'-P-C4' energy: -158.318
flat angles P-C4'-P energy: -91.530
tors. eta vs tors. theta energy: -177.713
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: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2112.918720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.918720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.892492 (E_RNA)
where:
Base-Base interactions energy: -1430.089
where: short stacking energy: -632.266
Base-Backbone interact. energy: -2.407
local terms energy: -682.396003
where:
bonds (distance) C4'-P energy: -123.427
bonds (distance) P-C4' energy: -149.547
flat angles C4'-P-C4' energy: -153.063
flat angles P-C4'-P energy: -87.847
tors. eta vs tors. theta energy: -168.512
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1972.921421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.921421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.370834 (E_RNA)
where:
Base-Base interactions energy: -1325.557
where: short stacking energy: -573.200
Base-Backbone interact. energy: -2.213
local terms energy: -647.600920
where:
bonds (distance) C4'-P energy: -119.202
bonds (distance) P-C4' energy: -146.558
flat angles C4'-P-C4' energy: -142.506
flat angles P-C4'-P energy: -89.938
tors. eta vs tors. theta energy: -149.397
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1925.826738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.826738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.066994 (E_RNA)
where:
Base-Base interactions energy: -1313.675
where: short stacking energy: -536.760
Base-Backbone interact. energy: 4.432
local terms energy: -619.824411
where:
bonds (distance) C4'-P energy: -120.003
bonds (distance) P-C4' energy: -139.126
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -77.620
tors. eta vs tors. theta energy: -150.280
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: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1835.153581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.153581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.223827 (E_RNA)
where:
Base-Base interactions energy: -1248.991
where: short stacking energy: -517.270
Base-Backbone interact. energy: -2.793
local terms energy: -586.439745
where:
bonds (distance) C4'-P energy: -112.078
bonds (distance) P-C4' energy: -105.943
flat angles C4'-P-C4' energy: -148.430
flat angles P-C4'-P energy: -85.475
tors. eta vs tors. theta energy: -134.514
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: 134
Temperature: 0.900000
Total energy: -2806.889162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.889162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.548826 (E_RNA)
where:
Base-Base interactions energy: -1920.352
where: short stacking energy: -786.576
Base-Backbone interact. energy: -2.641
local terms energy: -886.555195
where:
bonds (distance) C4'-P energy: -174.217
bonds (distance) P-C4' energy: -179.478
flat angles C4'-P-C4' energy: -178.713
flat angles P-C4'-P energy: -121.854
tors. eta vs tors. theta energy: -232.292
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: 2, replica: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2660.562906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.562906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.194426 (E_RNA)
where:
Base-Base interactions energy: -1821.533
where: short stacking energy: -787.988
Base-Backbone interact. energy: -4.228
local terms energy: -836.434045
where:
bonds (distance) C4'-P energy: -159.003
bonds (distance) P-C4' energy: -161.569
flat angles C4'-P-C4' energy: -176.853
flat angles P-C4'-P energy: -110.558
tors. eta vs tors. theta energy: -228.452
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2618.324424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.324424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.593361 (E_RNA)
where:
Base-Base interactions energy: -1778.321
where: short stacking energy: -756.749
Base-Backbone interact. energy: -0.784
local terms energy: -842.487858
where:
bonds (distance) C4'-P energy: -144.287
bonds (distance) P-C4' energy: -162.935
flat angles C4'-P-C4' energy: -177.796
flat angles P-C4'-P energy: -120.135
tors. eta vs tors. theta energy: -237.334
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2478.066988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.066988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.918199 (E_RNA)
where:
Base-Base interactions energy: -1664.110
where: short stacking energy: -730.217
Base-Backbone interact. energy: -0.867
local terms energy: -814.940826
where:
bonds (distance) C4'-P energy: -150.880
bonds (distance) P-C4' energy: -160.864
flat angles C4'-P-C4' energy: -184.431
flat angles P-C4'-P energy: -109.392
tors. eta vs tors. theta energy: -209.374
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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2373.550282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.550282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.213950 (E_RNA)
where:
Base-Base interactions energy: -1613.914
where: short stacking energy: -685.366
Base-Backbone interact. energy: -0.310
local terms energy: -761.989679
where:
bonds (distance) C4'-P energy: -148.216
bonds (distance) P-C4' energy: -148.980
flat angles C4'-P-C4' energy: -167.698
flat angles P-C4'-P energy: -100.727
tors. eta vs tors. theta energy: -196.370
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: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2158.205209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.205209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.655089 (E_RNA)
where:
Base-Base interactions energy: -1480.736
where: short stacking energy: -680.960
Base-Backbone interact. energy: -0.744
local terms energy: -680.175176
where:
bonds (distance) C4'-P energy: -129.668
bonds (distance) P-C4' energy: -139.899
flat angles C4'-P-C4' energy: -155.500
flat angles P-C4'-P energy: -84.503
tors. eta vs tors. theta energy: -170.605
Dist. restrs. and SS energy: 3.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2151.315494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.315494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.587725 (E_RNA)
where:
Base-Base interactions energy: -1439.939
where: short stacking energy: -628.478
Base-Backbone interact. energy: -2.581
local terms energy: -711.067601
where:
bonds (distance) C4'-P energy: -142.646
bonds (distance) P-C4' energy: -131.230
flat angles C4'-P-C4' energy: -167.430
flat angles P-C4'-P energy: -87.703
tors. eta vs tors. theta energy: -182.059
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2048.682675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.682675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.282412 (E_RNA)
where:
Base-Base interactions energy: -1374.704
where: short stacking energy: -596.544
Base-Backbone interact. energy: -2.973
local terms energy: -674.605711
where:
bonds (distance) C4'-P energy: -136.254
bonds (distance) P-C4' energy: -145.163
flat angles C4'-P-C4' energy: -143.571
flat angles P-C4'-P energy: -97.551
tors. eta vs tors. theta energy: -152.066
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: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1932.740667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.740667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.608988 (E_RNA)
where:
Base-Base interactions energy: -1297.054
where: short stacking energy: -544.561
Base-Backbone interact. energy: 4.854
local terms energy: -643.409065
where:
bonds (distance) C4'-P energy: -127.757
bonds (distance) P-C4' energy: -126.859
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -102.790
tors. eta vs tors. theta energy: -134.496
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1854.696560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.696560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.864905 (E_RNA)
where:
Base-Base interactions energy: -1251.863
where: short stacking energy: -483.909
Base-Backbone interact. energy: 1.288
local terms energy: -607.289666
where:
bonds (distance) C4'-P energy: -130.789
bonds (distance) P-C4' energy: -126.970
flat angles C4'-P-C4' energy: -137.451
flat angles P-C4'-P energy: -85.548
tors. eta vs tors. theta energy: -126.533
Dist. restrs. and SS energy: 3.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2799.289728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.289728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.881416 (E_RNA)
where:
Base-Base interactions energy: -1936.105
where: short stacking energy: -809.958
Base-Backbone interact. energy: -3.375
local terms energy: -861.401778
where:
bonds (distance) C4'-P energy: -162.153
bonds (distance) P-C4' energy: -157.086
flat angles C4'-P-C4' energy: -185.025
flat angles P-C4'-P energy: -129.340
tors. eta vs tors. theta energy: -227.798
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2713.372878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.372878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.044994 (E_RNA)
where:
Base-Base interactions energy: -1855.111
where: short stacking energy: -804.854
Base-Backbone interact. energy: -1.933
local terms energy: -859.000202
where:
bonds (distance) C4'-P energy: -165.221
bonds (distance) P-C4' energy: -139.185
flat angles C4'-P-C4' energy: -186.161
flat angles P-C4'-P energy: -118.897
tors. eta vs tors. theta energy: -249.536
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: 135
Temperature: 1.000000
Total energy: -2617.494905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.494905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.993010 (E_RNA)
where:
Base-Base interactions energy: -1780.273
where: short stacking energy: -791.348
Base-Backbone interact. energy: -2.532
local terms energy: -836.188302
where:
bonds (distance) C4'-P energy: -151.585
bonds (distance) P-C4' energy: -156.121
flat angles C4'-P-C4' energy: -182.089
flat angles P-C4'-P energy: -118.153
tors. eta vs tors. theta energy: -228.240
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: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2454.053722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.053722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.613866 (E_RNA)
where:
Base-Base interactions energy: -1667.573
where: short stacking energy: -692.931
Base-Backbone interact. energy: 0.123
local terms energy: -788.163467
where:
bonds (distance) C4'-P energy: -138.316
bonds (distance) P-C4' energy: -160.291
flat angles C4'-P-C4' energy: -164.347
flat angles P-C4'-P energy: -114.364
tors. eta vs tors. theta energy: -210.845
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2367.784923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.784923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.414560 (E_RNA)
where:
Base-Base interactions energy: -1629.749
where: short stacking energy: -675.728
Base-Backbone interact. energy: 3.605
local terms energy: -744.270419
where:
bonds (distance) C4'-P energy: -152.006
bonds (distance) P-C4' energy: -150.630
flat angles C4'-P-C4' energy: -169.233
flat angles P-C4'-P energy: -101.580
tors. eta vs tors. theta energy: -170.821
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2193.341801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.341801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.005223 (E_RNA)
where:
Base-Base interactions energy: -1478.404
where: short stacking energy: -676.516
Base-Backbone interact. energy: -2.493
local terms energy: -715.108071
where:
bonds (distance) C4'-P energy: -135.724
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -172.806
flat angles P-C4'-P energy: -82.883
tors. eta vs tors. theta energy: -189.131
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: 135
Temperature: 1.200000
Total energy: -2176.318916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.318916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.546344 (E_RNA)
where:
Base-Base interactions energy: -1476.377
where: short stacking energy: -646.194
Base-Backbone interact. energy: 3.151
local terms energy: -704.320525
where:
bonds (distance) C4'-P energy: -121.498
bonds (distance) P-C4' energy: -136.240
flat angles C4'-P-C4' energy: -162.039
flat angles P-C4'-P energy: -105.861
tors. eta vs tors. theta energy: -178.682
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: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2042.574758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.574758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.111967 (E_RNA)
where:
Base-Base interactions energy: -1370.805
where: short stacking energy: -592.342
Base-Backbone interact. energy: 2.824
local terms energy: -677.131300
where:
bonds (distance) C4'-P energy: -134.529
bonds (distance) P-C4' energy: -139.860
flat angles C4'-P-C4' energy: -146.716
flat angles P-C4'-P energy: -103.196
tors. eta vs tors. theta energy: -152.830
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1963.340906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.340906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.083476 (E_RNA)
where:
Base-Base interactions energy: -1346.822
where: short stacking energy: -575.003
Base-Backbone interact. energy: 8.079
local terms energy: -626.339703
where:
bonds (distance) C4'-P energy: -105.779
bonds (distance) P-C4' energy: -141.514
flat angles C4'-P-C4' energy: -119.325
flat angles P-C4'-P energy: -108.288
tors. eta vs tors. theta energy: -151.434
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1855.499995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.499995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.297036 (E_RNA)
where:
Base-Base interactions energy: -1301.021
where: short stacking energy: -544.633
Base-Backbone interact. energy: 2.385
local terms energy: -559.660760
where:
bonds (distance) C4'-P energy: -105.160
bonds (distance) P-C4' energy: -120.715
flat angles C4'-P-C4' energy: -122.264
flat angles P-C4'-P energy: -81.429
tors. eta vs tors. theta energy: -130.093
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: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2826.533515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.533515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.175798 (E_RNA)
where:
Base-Base interactions energy: -1967.556
where: short stacking energy: -781.364
Base-Backbone interact. energy: -4.216
local terms energy: -856.403466
where:
bonds (distance) C4'-P energy: -157.336
bonds (distance) P-C4' energy: -153.371
flat angles C4'-P-C4' energy: -186.201
flat angles P-C4'-P energy: -116.657
tors. eta vs tors. theta energy: -242.839
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: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2703.670611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.670611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.630354 (E_RNA)
where:
Base-Base interactions energy: -1862.118
where: short stacking energy: -828.375
Base-Backbone interact. energy: -0.032
local terms energy: -843.480594
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -164.948
flat angles C4'-P-C4' energy: -188.298
flat angles P-C4'-P energy: -115.127
tors. eta vs tors. theta energy: -230.272
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: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2579.141314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.141314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.596837 (E_RNA)
where:
Base-Base interactions energy: -1742.867
where: short stacking energy: -749.618
Base-Backbone interact. energy: -3.465
local terms energy: -835.265079
where:
bonds (distance) C4'-P energy: -162.486
bonds (distance) P-C4' energy: -158.980
flat angles C4'-P-C4' energy: -155.861
flat angles P-C4'-P energy: -122.937
tors. eta vs tors. theta energy: -235.001
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2424.763043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.763043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.933457 (E_RNA)
where:
Base-Base interactions energy: -1670.166
where: short stacking energy: -699.224
Base-Backbone interact. energy: 3.803
local terms energy: -760.569885
where:
bonds (distance) C4'-P energy: -142.064
bonds (distance) P-C4' energy: -147.621
flat angles C4'-P-C4' energy: -168.790
flat angles P-C4'-P energy: -106.663
tors. eta vs tors. theta energy: -195.432
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: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2400.914777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.914777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.747912 (E_RNA)
where:
Base-Base interactions energy: -1639.799
where: short stacking energy: -711.199
Base-Backbone interact. energy: -2.867
local terms energy: -761.081211
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -151.583
flat angles C4'-P-C4' energy: -167.130
flat angles P-C4'-P energy: -113.289
tors. eta vs tors. theta energy: -201.220
Dist. restrs. and SS energy: 2.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2204.266127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.266127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.215077 (E_RNA)
where:
Base-Base interactions energy: -1474.854
where: short stacking energy: -644.863
Base-Backbone interact. energy: 2.429
local terms energy: -733.789564
where:
bonds (distance) C4'-P energy: -134.150
bonds (distance) P-C4' energy: -148.206
flat angles C4'-P-C4' energy: -170.300
flat angles P-C4'-P energy: -105.413
tors. eta vs tors. theta energy: -175.720
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2081.686966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.686966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.427809 (E_RNA)
where:
Base-Base interactions energy: -1416.619
where: short stacking energy: -622.549
Base-Backbone interact. energy: -1.689
local terms energy: -666.120408
where:
bonds (distance) C4'-P energy: -135.144
bonds (distance) P-C4' energy: -139.465
flat angles C4'-P-C4' energy: -145.378
flat angles P-C4'-P energy: -84.921
tors. eta vs tors. theta energy: -161.212
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: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2048.192005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.192005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.917271 (E_RNA)
where:
Base-Base interactions energy: -1388.939
where: short stacking energy: -605.237
Base-Backbone interact. energy: 6.954
local terms energy: -669.931476
where:
bonds (distance) C4'-P energy: -132.163
bonds (distance) P-C4' energy: -139.346
flat angles C4'-P-C4' energy: -158.919
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -154.694
Dist. restrs. and SS energy: 3.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1984.608857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.608857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.213419 (E_RNA)
where:
Base-Base interactions energy: -1347.373
where: short stacking energy: -574.060
Base-Backbone interact. energy: 5.955
local terms energy: -646.795203
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -144.024
flat angles C4'-P-C4' energy: -140.384
flat angles P-C4'-P energy: -104.169
tors. eta vs tors. theta energy: -144.190
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: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1842.095751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.095751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.125401 (E_RNA)
where:
Base-Base interactions energy: -1219.494
where: short stacking energy: -512.651
Base-Backbone interact. energy: 0.761
local terms energy: -626.392048
where:
bonds (distance) C4'-P energy: -125.236
bonds (distance) P-C4' energy: -133.854
flat angles C4'-P-C4' energy: -144.262
flat angles P-C4'-P energy: -87.403
tors. eta vs tors. theta energy: -135.637
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: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2818.726585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.726585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.526257 (E_RNA)
where:
Base-Base interactions energy: -1960.922
where: short stacking energy: -824.405
Base-Backbone interact. energy: -2.120
local terms energy: -857.484976
where:
bonds (distance) C4'-P energy: -138.913
bonds (distance) P-C4' energy: -167.740
flat angles C4'-P-C4' energy: -186.937
flat angles P-C4'-P energy: -121.256
tors. eta vs tors. theta energy: -242.639
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2694.176369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.176369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.497852 (E_RNA)
where:
Base-Base interactions energy: -1852.867
where: short stacking energy: -816.130
Base-Backbone interact. energy: 1.242
local terms energy: -845.872806
where:
bonds (distance) C4'-P energy: -151.812
bonds (distance) P-C4' energy: -164.389
flat angles C4'-P-C4' energy: -187.443
flat angles P-C4'-P energy: -106.043
tors. eta vs tors. theta energy: -236.187
Dist. restrs. and SS energy: 3.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2591.997919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.997919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.502369 (E_RNA)
where:
Base-Base interactions energy: -1765.093
where: short stacking energy: -758.287
Base-Backbone interact. energy: 0.625
local terms energy: -831.034021
where:
bonds (distance) C4'-P energy: -151.535
bonds (distance) P-C4' energy: -147.817
flat angles C4'-P-C4' energy: -180.915
flat angles P-C4'-P energy: -118.515
tors. eta vs tors. theta energy: -232.252
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: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2396.196072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.196072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.547342 (E_RNA)
where:
Base-Base interactions energy: -1625.365
where: short stacking energy: -692.610
Base-Backbone interact. energy: 0.779
local terms energy: -772.961409
where:
bonds (distance) C4'-P energy: -164.095
bonds (distance) P-C4' energy: -153.379
flat angles C4'-P-C4' energy: -170.777
flat angles P-C4'-P energy: -99.305
tors. eta vs tors. theta energy: -185.406
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: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2335.990307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.990307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.593112 (E_RNA)
where:
Base-Base interactions energy: -1599.633
where: short stacking energy: -674.818
Base-Backbone interact. energy: 4.801
local terms energy: -742.761140
where:
bonds (distance) C4'-P energy: -125.021
bonds (distance) P-C4' energy: -152.973
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -101.283
tors. eta vs tors. theta energy: -189.157
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: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2185.917224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.917224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.131813 (E_RNA)
where:
Base-Base interactions energy: -1472.215
where: short stacking energy: -650.469
Base-Backbone interact. energy: -0.106
local terms energy: -716.810860
where:
bonds (distance) C4'-P energy: -116.385
bonds (distance) P-C4' energy: -150.944
flat angles C4'-P-C4' energy: -166.994
flat angles P-C4'-P energy: -115.981
tors. eta vs tors. theta energy: -166.507
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: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2146.631867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.631867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.487753 (E_RNA)
where:
Base-Base interactions energy: -1472.269
where: short stacking energy: -643.383
Base-Backbone interact. energy: 12.389
local terms energy: -689.607263
where:
bonds (distance) C4'-P energy: -163.353
bonds (distance) P-C4' energy: -115.102
flat angles C4'-P-C4' energy: -154.319
flat angles P-C4'-P energy: -77.992
tors. eta vs tors. theta energy: -178.841
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: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2012.073040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.073040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.180793 (E_RNA)
where:
Base-Base interactions energy: -1337.384
where: short stacking energy: -548.807
Base-Backbone interact. energy: -1.298
local terms energy: -676.498776
where:
bonds (distance) C4'-P energy: -131.832
bonds (distance) P-C4' energy: -152.607
flat angles C4'-P-C4' energy: -148.930
flat angles P-C4'-P energy: -103.539
tors. eta vs tors. theta energy: -139.591
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1947.851024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.851024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.601449 (E_RNA)
where:
Base-Base interactions energy: -1356.852
where: short stacking energy: -541.533
Base-Backbone interact. energy: 2.111
local terms energy: -596.860988
where:
bonds (distance) C4'-P energy: -117.467
bonds (distance) P-C4' energy: -135.828
flat angles C4'-P-C4' energy: -147.746
flat angles P-C4'-P energy: -71.027
tors. eta vs tors. theta energy: -124.794
Dist. restrs. and SS energy: 3.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1855.078454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.078454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.774565 (E_RNA)
where:
Base-Base interactions energy: -1273.942
where: short stacking energy: -538.849
Base-Backbone interact. energy: -0.333
local terms energy: -583.499799
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -118.032
flat angles C4'-P-C4' energy: -130.825
flat angles P-C4'-P energy: -80.670
tors. eta vs tors. theta energy: -135.601
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2825.978327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.978327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.254934 (E_RNA)
where:
Base-Base interactions energy: -1953.052
where: short stacking energy: -792.166
Base-Backbone interact. energy: -1.424
local terms energy: -873.779069
where:
bonds (distance) C4'-P energy: -164.312
bonds (distance) P-C4' energy: -161.009
flat angles C4'-P-C4' energy: -186.910
flat angles P-C4'-P energy: -122.698
tors. eta vs tors. theta energy: -238.850
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: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2701.299699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.299699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.676642 (E_RNA)
where:
Base-Base interactions energy: -1848.945
where: short stacking energy: -816.115
Base-Backbone interact. energy: -1.701
local terms energy: -854.030902
where:
bonds (distance) C4'-P energy: -165.738
bonds (distance) P-C4' energy: -153.032
flat angles C4'-P-C4' energy: -176.759
flat angles P-C4'-P energy: -119.912
tors. eta vs tors. theta energy: -238.589
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: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2622.574265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.574265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.750512 (E_RNA)
where:
Base-Base interactions energy: -1774.951
where: short stacking energy: -773.424
Base-Backbone interact. energy: -3.316
local terms energy: -845.483290
where:
bonds (distance) C4'-P energy: -162.003
bonds (distance) P-C4' energy: -140.704
flat angles C4'-P-C4' energy: -181.113
flat angles P-C4'-P energy: -119.846
tors. eta vs tors. theta energy: -241.817
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2447.431907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.431907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.663025 (E_RNA)
where:
Base-Base interactions energy: -1696.494
where: short stacking energy: -727.772
Base-Backbone interact. energy: -2.620
local terms energy: -750.548595
where:
bonds (distance) C4'-P energy: -127.404
bonds (distance) P-C4' energy: -143.868
flat angles C4'-P-C4' energy: -178.721
flat angles P-C4'-P energy: -111.645
tors. eta vs tors. theta energy: -188.910
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: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2337.217131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.217131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.423861 (E_RNA)
where:
Base-Base interactions energy: -1584.074
where: short stacking energy: -686.928
Base-Backbone interact. energy: -0.470
local terms energy: -754.879739
where:
bonds (distance) C4'-P energy: -163.934
bonds (distance) P-C4' energy: -121.265
flat angles C4'-P-C4' energy: -172.815
flat angles P-C4'-P energy: -103.980
tors. eta vs tors. theta energy: -192.887
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: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2161.646960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.646960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.508511 (E_RNA)
where:
Base-Base interactions energy: -1452.237
where: short stacking energy: -646.318
Base-Backbone interact. energy: -0.763
local terms energy: -710.508675
where:
bonds (distance) C4'-P energy: -121.478
bonds (distance) P-C4' energy: -147.230
flat angles C4'-P-C4' energy: -168.360
flat angles P-C4'-P energy: -96.290
tors. eta vs tors. theta energy: -177.151
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2118.554298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.554298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.725455 (E_RNA)
where:
Base-Base interactions energy: -1466.623
where: short stacking energy: -640.215
Base-Backbone interact. energy: -2.730
local terms energy: -653.371867
where:
bonds (distance) C4'-P energy: -123.914
bonds (distance) P-C4' energy: -129.332
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -91.299
tors. eta vs tors. theta energy: -164.982
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: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2027.639515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.639515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.418514 (E_RNA)
where:
Base-Base interactions energy: -1359.242
where: short stacking energy: -574.065
Base-Backbone interact. energy: -2.584
local terms energy: -668.592604
where:
bonds (distance) C4'-P energy: -127.774
bonds (distance) P-C4' energy: -130.050
flat angles C4'-P-C4' energy: -150.290
flat angles P-C4'-P energy: -84.340
tors. eta vs tors. theta energy: -176.138
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: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1904.209969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.209969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.314104 (E_RNA)
where:
Base-Base interactions energy: -1257.640
where: short stacking energy: -514.059
Base-Backbone interact. energy: 1.917
local terms energy: -651.591321
where:
bonds (distance) C4'-P energy: -142.126
bonds (distance) P-C4' energy: -132.878
flat angles C4'-P-C4' energy: -161.902
flat angles P-C4'-P energy: -88.050
tors. eta vs tors. theta energy: -126.636
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: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1848.315541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.315541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.324463 (E_RNA)
where:
Base-Base interactions energy: -1257.030
where: short stacking energy: -541.558
Base-Backbone interact. energy: -3.065
local terms energy: -592.229623
where:
bonds (distance) C4'-P energy: -97.549
bonds (distance) P-C4' energy: -135.980
flat angles C4'-P-C4' energy: -140.169
flat angles P-C4'-P energy: -98.636
tors. eta vs tors. theta energy: -119.896
Dist. restrs. and SS energy: 4.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2801.663762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.663762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.334968 (E_RNA)
where:
Base-Base interactions energy: -1933.842
where: short stacking energy: -811.832
Base-Backbone interact. energy: -3.444
local terms energy: -867.048608
where:
bonds (distance) C4'-P energy: -168.551
bonds (distance) P-C4' energy: -155.489
flat angles C4'-P-C4' energy: -184.776
flat angles P-C4'-P energy: -115.008
tors. eta vs tors. theta energy: -243.225
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2670.983937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.983937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.312152 (E_RNA)
where:
Base-Base interactions energy: -1822.029
where: short stacking energy: -766.815
Base-Backbone interact. energy: -0.195
local terms energy: -851.088090
where:
bonds (distance) C4'-P energy: -154.309
bonds (distance) P-C4' energy: -164.219
flat angles C4'-P-C4' energy: -170.533
flat angles P-C4'-P energy: -129.263
tors. eta vs tors. theta energy: -232.764
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: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2632.014661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.014661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.710371 (E_RNA)
where:
Base-Base interactions energy: -1795.387
where: short stacking energy: -798.944
Base-Backbone interact. energy: -2.919
local terms energy: -835.403977
where:
bonds (distance) C4'-P energy: -155.224
bonds (distance) P-C4' energy: -156.617
flat angles C4'-P-C4' energy: -181.409
flat angles P-C4'-P energy: -109.265
tors. eta vs tors. theta energy: -232.889
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2443.349991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.349991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.331090 (E_RNA)
where:
Base-Base interactions energy: -1685.204
where: short stacking energy: -714.787
Base-Backbone interact. energy: 1.585
local terms energy: -762.711465
where:
bonds (distance) C4'-P energy: -141.715
bonds (distance) P-C4' energy: -155.828
flat angles C4'-P-C4' energy: -161.332
flat angles P-C4'-P energy: -111.619
tors. eta vs tors. theta energy: -192.217
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: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2369.307354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.307354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.583106 (E_RNA)
where:
Base-Base interactions energy: -1612.454
where: short stacking energy: -697.444
Base-Backbone interact. energy: -4.144
local terms energy: -754.985542
where:
bonds (distance) C4'-P energy: -151.163
bonds (distance) P-C4' energy: -135.547
flat angles C4'-P-C4' energy: -161.399
flat angles P-C4'-P energy: -107.117
tors. eta vs tors. theta energy: -199.760
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2203.412529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.412529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.348395 (E_RNA)
where:
Base-Base interactions energy: -1474.532
where: short stacking energy: -642.823
Base-Backbone interact. energy: -0.787
local terms energy: -730.029482
where:
bonds (distance) C4'-P energy: -151.170
bonds (distance) P-C4' energy: -138.375
flat angles C4'-P-C4' energy: -165.705
flat angles P-C4'-P energy: -99.404
tors. eta vs tors. theta energy: -175.376
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2145.701022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.701022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.976507 (E_RNA)
where:
Base-Base interactions energy: -1445.099
where: short stacking energy: -641.168
Base-Backbone interact. energy: 1.431
local terms energy: -706.307747
where:
bonds (distance) C4'-P energy: -135.684
bonds (distance) P-C4' energy: -126.806
flat angles C4'-P-C4' energy: -167.146
flat angles P-C4'-P energy: -97.641
tors. eta vs tors. theta energy: -179.031
Dist. restrs. and SS energy: 4.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2072.620755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.620755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.048262 (E_RNA)
where:
Base-Base interactions energy: -1413.908
where: short stacking energy: -621.319
Base-Backbone interact. energy: -2.042
local terms energy: -659.097980
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -133.958
flat angles C4'-P-C4' energy: -137.931
flat angles P-C4'-P energy: -97.087
tors. eta vs tors. theta energy: -161.528
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: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1943.058831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.058831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.380486 (E_RNA)
where:
Base-Base interactions energy: -1338.772
where: short stacking energy: -559.236
Base-Backbone interact. energy: -3.110
local terms energy: -604.498805
where:
bonds (distance) C4'-P energy: -117.995
bonds (distance) P-C4' energy: -131.682
flat angles C4'-P-C4' energy: -138.967
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -128.929
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1815.540829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.540829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.017721 (E_RNA)
where:
Base-Base interactions energy: -1229.877
where: short stacking energy: -521.325
Base-Backbone interact. energy: 1.012
local terms energy: -592.152253
where:
bonds (distance) C4'-P energy: -119.410
bonds (distance) P-C4' energy: -113.574
flat angles C4'-P-C4' energy: -133.146
flat angles P-C4'-P energy: -95.184
tors. eta vs tors. theta energy: -130.839
Dist. restrs. and SS energy: 5.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2789.610570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.610570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.444258 (E_RNA)
where:
Base-Base interactions energy: -1906.401
where: short stacking energy: -763.308
Base-Backbone interact. energy: -5.447
local terms energy: -879.596110
where:
bonds (distance) C4'-P energy: -177.243
bonds (distance) P-C4' energy: -177.700
flat angles C4'-P-C4' energy: -184.359
flat angles P-C4'-P energy: -118.485
tors. eta vs tors. theta energy: -221.810
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: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2698.413560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.413560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.293384 (E_RNA)
where:
Base-Base interactions energy: -1852.920
where: short stacking energy: -803.890
Base-Backbone interact. energy: -2.642
local terms energy: -845.731121
where:
bonds (distance) C4'-P energy: -168.661
bonds (distance) P-C4' energy: -154.847
flat angles C4'-P-C4' energy: -157.348
flat angles P-C4'-P energy: -135.352
tors. eta vs tors. theta energy: -229.523
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2580.582516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.582516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.936049 (E_RNA)
where:
Base-Base interactions energy: -1721.128
where: short stacking energy: -747.939
Base-Backbone interact. energy: -3.125
local terms energy: -858.682744
where:
bonds (distance) C4'-P energy: -170.136
bonds (distance) P-C4' energy: -170.252
flat angles C4'-P-C4' energy: -166.038
flat angles P-C4'-P energy: -129.879
tors. eta vs tors. theta energy: -222.378
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: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2414.278199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.278199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.087495 (E_RNA)
where:
Base-Base interactions energy: -1646.539
where: short stacking energy: -701.041
Base-Backbone interact. energy: -3.079
local terms energy: -769.469361
where:
bonds (distance) C4'-P energy: -160.260
bonds (distance) P-C4' energy: -133.025
flat angles C4'-P-C4' energy: -167.705
flat angles P-C4'-P energy: -105.298
tors. eta vs tors. theta energy: -203.181
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: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2361.967210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.967210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.131245 (E_RNA)
where:
Base-Base interactions energy: -1619.963
where: short stacking energy: -685.893
Base-Backbone interact. energy: 4.011
local terms energy: -748.179575
where:
bonds (distance) C4'-P energy: -135.199
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -169.802
flat angles P-C4'-P energy: -111.170
tors. eta vs tors. theta energy: -188.559
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: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2166.072092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.072092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.212032 (E_RNA)
where:
Base-Base interactions energy: -1469.282
where: short stacking energy: -630.273
Base-Backbone interact. energy: -1.965
local terms energy: -696.965030
where:
bonds (distance) C4'-P energy: -117.911
bonds (distance) P-C4' energy: -141.668
flat angles C4'-P-C4' energy: -160.690
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -180.601
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: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2143.071715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.071715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.144026 (E_RNA)
where:
Base-Base interactions energy: -1445.345
where: short stacking energy: -642.955
Base-Backbone interact. energy: -0.609
local terms energy: -701.189309
where:
bonds (distance) C4'-P energy: -146.055
bonds (distance) P-C4' energy: -135.899
flat angles C4'-P-C4' energy: -138.825
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -182.921
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2065.406579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.406579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.894591 (E_RNA)
where:
Base-Base interactions energy: -1366.446
where: short stacking energy: -574.151
Base-Backbone interact. energy: -3.032
local terms energy: -698.416103
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -168.379
flat angles C4'-P-C4' energy: -163.826
flat angles P-C4'-P energy: -89.312
tors. eta vs tors. theta energy: -157.548
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1950.789044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.789044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.458645 (E_RNA)
where:
Base-Base interactions energy: -1344.264
where: short stacking energy: -566.301
Base-Backbone interact. energy: 5.181
local terms energy: -618.375493
where:
bonds (distance) C4'-P energy: -108.881
bonds (distance) P-C4' energy: -154.168
flat angles C4'-P-C4' energy: -131.578
flat angles P-C4'-P energy: -66.905
tors. eta vs tors. theta energy: -156.843
Dist. restrs. and SS energy: 6.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1868.834157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.834157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.884959 (E_RNA)
where:
Base-Base interactions energy: -1299.738
where: short stacking energy: -548.972
Base-Backbone interact. energy: 0.168
local terms energy: -572.315835
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -110.101
flat angles C4'-P-C4' energy: -133.629
flat angles P-C4'-P energy: -63.076
tors. eta vs tors. theta energy: -146.430
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: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2819.504371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.504371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.308617 (E_RNA)
where:
Base-Base interactions energy: -1962.542
where: short stacking energy: -826.812
Base-Backbone interact. energy: -3.957
local terms energy: -856.809547
where:
bonds (distance) C4'-P energy: -160.543
bonds (distance) P-C4' energy: -159.264
flat angles C4'-P-C4' energy: -182.442
flat angles P-C4'-P energy: -116.164
tors. eta vs tors. theta energy: -238.397
Dist. restrs. and SS energy: 3.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2703.190495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.190495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.343881 (E_RNA)
where:
Base-Base interactions energy: -1829.479
where: short stacking energy: -783.273
Base-Backbone interact. energy: -0.989
local terms energy: -875.875334
where:
bonds (distance) C4'-P energy: -176.643
bonds (distance) P-C4' energy: -170.424
flat angles C4'-P-C4' energy: -183.564
flat angles P-C4'-P energy: -115.350
tors. eta vs tors. theta energy: -229.894
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2607.120785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.120785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.905431 (E_RNA)
where:
Base-Base interactions energy: -1781.965
where: short stacking energy: -789.391
Base-Backbone interact. energy: -4.014
local terms energy: -823.926031
where:
bonds (distance) C4'-P energy: -146.678
bonds (distance) P-C4' energy: -146.847
flat angles C4'-P-C4' energy: -174.708
flat angles P-C4'-P energy: -118.072
tors. eta vs tors. theta energy: -237.621
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2454.840429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.840429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.542267 (E_RNA)
where:
Base-Base interactions energy: -1677.580
where: short stacking energy: -687.782
Base-Backbone interact. energy: -1.533
local terms energy: -779.428671
where:
bonds (distance) C4'-P energy: -141.371
bonds (distance) P-C4' energy: -140.928
flat angles C4'-P-C4' energy: -175.458
flat angles P-C4'-P energy: -119.278
tors. eta vs tors. theta energy: -202.394
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: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2399.915820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.915820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.839266 (E_RNA)
where:
Base-Base interactions energy: -1667.622
where: short stacking energy: -693.498
Base-Backbone interact. energy: -0.776
local terms energy: -732.441263
where:
bonds (distance) C4'-P energy: -122.443
bonds (distance) P-C4' energy: -139.503
flat angles C4'-P-C4' energy: -157.323
flat angles P-C4'-P energy: -119.939
tors. eta vs tors. theta energy: -193.234
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2238.541166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.541166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.689893 (E_RNA)
where:
Base-Base interactions energy: -1492.783
where: short stacking energy: -653.784
Base-Backbone interact. energy: -5.886
local terms energy: -742.020722
where:
bonds (distance) C4'-P energy: -129.465
bonds (distance) P-C4' energy: -163.279
flat angles C4'-P-C4' energy: -162.101
flat angles P-C4'-P energy: -106.208
tors. eta vs tors. theta energy: -180.967
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: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2135.190009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.973901 (E_RNA)
where:
Base-Base interactions energy: -1431.347
where: short stacking energy: -602.994
Base-Backbone interact. energy: 3.454
local terms energy: -710.080939
where:
bonds (distance) C4'-P energy: -141.954
bonds (distance) P-C4' energy: -147.739
flat angles C4'-P-C4' energy: -160.312
flat angles P-C4'-P energy: -103.011
tors. eta vs tors. theta energy: -157.066
Dist. restrs. and SS energy: 2.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2025.674304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.674304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.667208 (E_RNA)
where:
Base-Base interactions energy: -1367.680
where: short stacking energy: -567.272
Base-Backbone interact. energy: -3.064
local terms energy: -655.923142
where:
bonds (distance) C4'-P energy: -134.063
bonds (distance) P-C4' energy: -133.499
flat angles C4'-P-C4' energy: -130.439
flat angles P-C4'-P energy: -92.072
tors. eta vs tors. theta energy: -165.850
Dist. restrs. and SS energy: 0.993 (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: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1922.639665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.639665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.794887 (E_RNA)
where:
Base-Base interactions energy: -1302.236
where: short stacking energy: -562.901
Base-Backbone interact. energy: 1.280
local terms energy: -625.839041
where:
bonds (distance) C4'-P energy: -107.128
bonds (distance) P-C4' energy: -117.502
flat angles C4'-P-C4' energy: -154.140
flat angles P-C4'-P energy: -95.318
tors. eta vs tors. theta energy: -151.751
Dist. restrs. and SS energy: 4.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1863.528656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.528656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.962679 (E_RNA)
where:
Base-Base interactions energy: -1262.832
where: short stacking energy: -504.365
Base-Backbone interact. energy: 3.649
local terms energy: -606.779116
where:
bonds (distance) C4'-P energy: -138.618
bonds (distance) P-C4' energy: -113.763
flat angles C4'-P-C4' energy: -148.005
flat angles P-C4'-P energy: -70.252
tors. eta vs tors. theta energy: -136.141
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: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2790.704190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.704190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.396852 (E_RNA)
where:
Base-Base interactions energy: -1946.797
where: short stacking energy: -784.856
Base-Backbone interact. energy: -1.335
local terms energy: -845.265490
where:
bonds (distance) C4'-P energy: -159.815
bonds (distance) P-C4' energy: -157.438
flat angles C4'-P-C4' energy: -180.371
flat angles P-C4'-P energy: -126.237
tors. eta vs tors. theta energy: -221.405
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2677.517416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.517416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.539030 (E_RNA)
where:
Base-Base interactions energy: -1831.664
where: short stacking energy: -775.303
Base-Backbone interact. energy: -6.133
local terms energy: -841.741881
where:
bonds (distance) C4'-P energy: -161.790
bonds (distance) P-C4' energy: -157.855
flat angles C4'-P-C4' energy: -176.074
flat angles P-C4'-P energy: -115.725
tors. eta vs tors. theta energy: -230.299
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2651.544287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.544287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.793194 (E_RNA)
where:
Base-Base interactions energy: -1792.983
where: short stacking energy: -770.220
Base-Backbone interact. energy: -2.494
local terms energy: -859.316812
where:
bonds (distance) C4'-P energy: -143.694
bonds (distance) P-C4' energy: -164.990
flat angles C4'-P-C4' energy: -191.615
flat angles P-C4'-P energy: -127.229
tors. eta vs tors. theta energy: -231.789
Dist. restrs. and SS energy: 3.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2472.373740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.373740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.484330 (E_RNA)
where:
Base-Base interactions energy: -1704.801
where: short stacking energy: -727.105
Base-Backbone interact. energy: -0.688
local terms energy: -768.995665
where:
bonds (distance) C4'-P energy: -133.174
bonds (distance) P-C4' energy: -149.072
flat angles C4'-P-C4' energy: -169.601
flat angles P-C4'-P energy: -103.841
tors. eta vs tors. theta energy: -213.308
Dist. restrs. and SS energy: 2.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2395.922435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.922435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.347366 (E_RNA)
where:
Base-Base interactions energy: -1614.847
where: short stacking energy: -683.881
Base-Backbone interact. energy: -3.011
local terms energy: -780.489299
where:
bonds (distance) C4'-P energy: -144.230
bonds (distance) P-C4' energy: -147.632
flat angles C4'-P-C4' energy: -178.153
flat angles P-C4'-P energy: -114.524
tors. eta vs tors. theta energy: -195.949
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2152.618487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.618487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.210326 (E_RNA)
where:
Base-Base interactions energy: -1462.702
where: short stacking energy: -646.573
Base-Backbone interact. energy: -1.655
local terms energy: -690.852694
where:
bonds (distance) C4'-P energy: -131.506
bonds (distance) P-C4' energy: -128.249
flat angles C4'-P-C4' energy: -159.336
flat angles P-C4'-P energy: -101.125
tors. eta vs tors. theta energy: -170.637
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: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2126.831423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.831423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.797753 (E_RNA)
where:
Base-Base interactions energy: -1436.621
where: short stacking energy: -621.344
Base-Backbone interact. energy: -0.246
local terms energy: -691.930254
where:
bonds (distance) C4'-P energy: -144.036
bonds (distance) P-C4' energy: -137.443
flat angles C4'-P-C4' energy: -154.551
flat angles P-C4'-P energy: -88.524
tors. eta vs tors. theta energy: -167.376
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2069.244825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.244825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.382723 (E_RNA)
where:
Base-Base interactions energy: -1410.172
where: short stacking energy: -573.642
Base-Backbone interact. energy: 1.538
local terms energy: -662.748729
where:
bonds (distance) C4'-P energy: -135.115
bonds (distance) P-C4' energy: -143.358
flat angles C4'-P-C4' energy: -142.847
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -160.334
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1899.450311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.450311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.292393 (E_RNA)
where:
Base-Base interactions energy: -1316.021
where: short stacking energy: -563.928
Base-Backbone interact. energy: 0.499
local terms energy: -586.770345
where:
bonds (distance) C4'-P energy: -117.348
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -144.656
flat angles P-C4'-P energy: -74.873
tors. eta vs tors. theta energy: -132.682
Dist. restrs. and SS energy: 2.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1879.897565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.897565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.743601 (E_RNA)
where:
Base-Base interactions energy: -1283.540
where: short stacking energy: -521.755
Base-Backbone interact. energy: 4.739
local terms energy: -603.941678
where:
bonds (distance) C4'-P energy: -126.084
bonds (distance) P-C4' energy: -100.752
flat angles C4'-P-C4' energy: -148.250
flat angles P-C4'-P energy: -90.283
tors. eta vs tors. theta energy: -138.574
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2846.314436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.314436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.923496 (E_RNA)
where:
Base-Base interactions energy: -1969.453
where: short stacking energy: -842.464
Base-Backbone interact. energy: -2.496
local terms energy: -876.974501
where:
bonds (distance) C4'-P energy: -176.274
bonds (distance) P-C4' energy: -162.114
flat angles C4'-P-C4' energy: -178.007
flat angles P-C4'-P energy: -119.314
tors. eta vs tors. theta energy: -241.265
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2667.406354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.406354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.952684 (E_RNA)
where:
Base-Base interactions energy: -1827.616
where: short stacking energy: -770.876
Base-Backbone interact. energy: -3.455
local terms energy: -837.881985
where:
bonds (distance) C4'-P energy: -160.221
bonds (distance) P-C4' energy: -153.881
flat angles C4'-P-C4' energy: -178.776
flat angles P-C4'-P energy: -122.596
tors. eta vs tors. theta energy: -222.407
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: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2622.481513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.481513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.394909 (E_RNA)
where:
Base-Base interactions energy: -1794.306
where: short stacking energy: -753.290
Base-Backbone interact. energy: -4.450
local terms energy: -826.638501
where:
bonds (distance) C4'-P energy: -156.346
bonds (distance) P-C4' energy: -147.758
flat angles C4'-P-C4' energy: -179.067
flat angles P-C4'-P energy: -117.495
tors. eta vs tors. theta energy: -225.972
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2493.538613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.538613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.436313 (E_RNA)
where:
Base-Base interactions energy: -1727.883
where: short stacking energy: -761.350
Base-Backbone interact. energy: -1.171
local terms energy: -767.382301
where:
bonds (distance) C4'-P energy: -127.854
bonds (distance) P-C4' energy: -143.926
flat angles C4'-P-C4' energy: -180.392
flat angles P-C4'-P energy: -101.273
tors. eta vs tors. theta energy: -213.937
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: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2385.496717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.496717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.717550 (E_RNA)
where:
Base-Base interactions energy: -1606.249
where: short stacking energy: -688.863
Base-Backbone interact. energy: -0.507
local terms energy: -780.961331
where:
bonds (distance) C4'-P energy: -145.139
bonds (distance) P-C4' energy: -151.349
flat angles C4'-P-C4' energy: -163.181
flat angles P-C4'-P energy: -118.020
tors. eta vs tors. theta energy: -203.271
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2181.180305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.180305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.842061 (E_RNA)
where:
Base-Base interactions energy: -1459.215
where: short stacking energy: -651.182
Base-Backbone interact. energy: -0.980
local terms energy: -723.646821
where:
bonds (distance) C4'-P energy: -136.806
bonds (distance) P-C4' energy: -148.421
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -104.377
tors. eta vs tors. theta energy: -171.928
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2091.379811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.379811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.674733 (E_RNA)
where:
Base-Base interactions energy: -1421.836
where: short stacking energy: -631.349
Base-Backbone interact. energy: 3.676
local terms energy: -676.515233
where:
bonds (distance) C4'-P energy: -130.684
bonds (distance) P-C4' energy: -130.864
flat angles C4'-P-C4' energy: -145.364
flat angles P-C4'-P energy: -105.793
tors. eta vs tors. theta energy: -163.811
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1962.357066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.357066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.526326 (E_RNA)
where:
Base-Base interactions energy: -1333.219
where: short stacking energy: -559.059
Base-Backbone interact. energy: -2.421
local terms energy: -628.886544
where:
bonds (distance) C4'-P energy: -135.710
bonds (distance) P-C4' energy: -124.782
flat angles C4'-P-C4' energy: -142.073
flat angles P-C4'-P energy: -78.174
tors. eta vs tors. theta energy: -148.147
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: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1967.866463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.866463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.202127 (E_RNA)
where:
Base-Base interactions energy: -1319.424
where: short stacking energy: -563.312
Base-Backbone interact. energy: -0.057
local terms energy: -651.720952
where:
bonds (distance) C4'-P energy: -132.804
bonds (distance) P-C4' energy: -141.324
flat angles C4'-P-C4' energy: -145.868
flat angles P-C4'-P energy: -84.534
tors. eta vs tors. theta energy: -147.191
Dist. restrs. and SS energy: 3.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1856.998215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.998215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.747104 (E_RNA)
where:
Base-Base interactions energy: -1267.476
where: short stacking energy: -525.926
Base-Backbone interact. energy: 2.842
local terms energy: -595.112779
where:
bonds (distance) C4'-P energy: -127.013
bonds (distance) P-C4' energy: -113.854
flat angles C4'-P-C4' energy: -143.492
flat angles P-C4'-P energy: -86.077
tors. eta vs tors. theta energy: -124.676
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: 144
Temperature: 0.900000
Total energy: -2793.226549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.226549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.580727 (E_RNA)
where:
Base-Base interactions energy: -1912.924
where: short stacking energy: -817.373
Base-Backbone interact. energy: -5.534
local terms energy: -878.123164
where:
bonds (distance) C4'-P energy: -160.343
bonds (distance) P-C4' energy: -167.605
flat angles C4'-P-C4' energy: -189.477
flat angles P-C4'-P energy: -128.266
tors. eta vs tors. theta energy: -232.433
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: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2683.682658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.682658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.784536 (E_RNA)
where:
Base-Base interactions energy: -1829.187
where: short stacking energy: -783.910
Base-Backbone interact. energy: -6.239
local terms energy: -849.358557
where:
bonds (distance) C4'-P energy: -154.907
bonds (distance) P-C4' energy: -161.055
flat angles C4'-P-C4' energy: -183.117
flat angles P-C4'-P energy: -115.280
tors. eta vs tors. theta energy: -235.000
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: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2656.812154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.812154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.540648 (E_RNA)
where:
Base-Base interactions energy: -1811.173
where: short stacking energy: -804.401
Base-Backbone interact. energy: -3.815
local terms energy: -844.552609
where:
bonds (distance) C4'-P energy: -151.802
bonds (distance) P-C4' energy: -147.379
flat angles C4'-P-C4' energy: -176.876
flat angles P-C4'-P energy: -123.919
tors. eta vs tors. theta energy: -244.576
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: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2483.100658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.100658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.510980 (E_RNA)
where:
Base-Base interactions energy: -1693.672
where: short stacking energy: -735.330
Base-Backbone interact. energy: -4.585
local terms energy: -788.253054
where:
bonds (distance) C4'-P energy: -132.604
bonds (distance) P-C4' energy: -166.421
flat angles C4'-P-C4' energy: -167.751
flat angles P-C4'-P energy: -106.223
tors. eta vs tors. theta energy: -215.255
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2379.485483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.485483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.890204 (E_RNA)
where:
Base-Base interactions energy: -1625.807
where: short stacking energy: -676.830
Base-Backbone interact. energy: -0.711
local terms energy: -755.372641
where:
bonds (distance) C4'-P energy: -147.069
bonds (distance) P-C4' energy: -138.965
flat angles C4'-P-C4' energy: -175.119
flat angles P-C4'-P energy: -101.441
tors. eta vs tors. theta energy: -192.779
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: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2169.539364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.539364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.191555 (E_RNA)
where:
Base-Base interactions energy: -1440.191
where: short stacking energy: -631.494
Base-Backbone interact. energy: -3.483
local terms energy: -728.517298
where:
bonds (distance) C4'-P energy: -142.867
bonds (distance) P-C4' energy: -148.502
flat angles C4'-P-C4' energy: -159.757
flat angles P-C4'-P energy: -100.512
tors. eta vs tors. theta energy: -176.879
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: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2131.542753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.542753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.486033 (E_RNA)
where:
Base-Base interactions energy: -1416.921
where: short stacking energy: -619.754
Base-Backbone interact. energy: -2.038
local terms energy: -716.526549
where:
bonds (distance) C4'-P energy: -147.941
bonds (distance) P-C4' energy: -139.789
flat angles C4'-P-C4' energy: -146.093
flat angles P-C4'-P energy: -102.210
tors. eta vs tors. theta energy: -180.494
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: 144
Temperature: 1.250000
Total energy: -2031.273194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.273194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.811959 (E_RNA)
where:
Base-Base interactions energy: -1378.137
where: short stacking energy: -575.630
Base-Backbone interact. energy: 1.105
local terms energy: -656.779931
where:
bonds (distance) C4'-P energy: -129.878
bonds (distance) P-C4' energy: -134.688
flat angles C4'-P-C4' energy: -152.869
flat angles P-C4'-P energy: -98.396
tors. eta vs tors. theta energy: -140.949
Dist. restrs. and SS energy: 2.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1905.898502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.898502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.941995 (E_RNA)
where:
Base-Base interactions energy: -1299.239
where: short stacking energy: -554.621
Base-Backbone interact. energy: -1.725
local terms energy: -607.977793
where:
bonds (distance) C4'-P energy: -128.372
bonds (distance) P-C4' energy: -125.763
flat angles C4'-P-C4' energy: -121.806
flat angles P-C4'-P energy: -87.412
tors. eta vs tors. theta energy: -144.625
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: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1874.558070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.558070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.639762 (E_RNA)
where:
Base-Base interactions energy: -1266.439
where: short stacking energy: -539.687
Base-Backbone interact. energy: 0.574
local terms energy: -617.774197
where:
bonds (distance) C4'-P energy: -121.015
bonds (distance) P-C4' energy: -135.902
flat angles C4'-P-C4' energy: -146.267
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -143.762
Dist. restrs. and SS energy: 9.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2851.525145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.525145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.949537 (E_RNA)
where:
Base-Base interactions energy: -1945.936
where: short stacking energy: -816.500
Base-Backbone interact. energy: -3.636
local terms energy: -904.377779
where:
bonds (distance) C4'-P energy: -173.776
bonds (distance) P-C4' energy: -175.234
flat angles C4'-P-C4' energy: -183.852
flat angles P-C4'-P energy: -138.645
tors. eta vs tors. theta energy: -232.871
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: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2689.877911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.877911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.991050 (E_RNA)
where:
Base-Base interactions energy: -1836.212
where: short stacking energy: -799.027
Base-Backbone interact. energy: -1.613
local terms energy: -854.165275
where:
bonds (distance) C4'-P energy: -152.953
bonds (distance) P-C4' energy: -151.639
flat angles C4'-P-C4' energy: -185.924
flat angles P-C4'-P energy: -125.813
tors. eta vs tors. theta energy: -237.836
Dist. restrs. and SS energy: 2.113 (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: 145
Temperature: 1.000000
Total energy: -2613.796236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.796236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.290854 (E_RNA)
where:
Base-Base interactions energy: -1777.541
where: short stacking energy: -780.753
Base-Backbone interact. energy: -5.163
local terms energy: -833.586145
where:
bonds (distance) C4'-P energy: -154.590
bonds (distance) P-C4' energy: -147.661
flat angles C4'-P-C4' energy: -175.403
flat angles P-C4'-P energy: -116.429
tors. eta vs tors. theta energy: -239.503
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: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2465.491103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.491103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.291774 (E_RNA)
where:
Base-Base interactions energy: -1666.968
where: short stacking energy: -722.419
Base-Backbone interact. energy: -3.764
local terms energy: -797.560031
where:
bonds (distance) C4'-P energy: -158.086
bonds (distance) P-C4' energy: -158.695
flat angles C4'-P-C4' energy: -172.023
flat angles P-C4'-P energy: -115.627
tors. eta vs tors. theta energy: -193.129
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2449.308175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.308175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.950682 (E_RNA)
where:
Base-Base interactions energy: -1670.281
where: short stacking energy: -682.223
Base-Backbone interact. energy: 1.286
local terms energy: -781.955971
where:
bonds (distance) C4'-P energy: -156.471
bonds (distance) P-C4' energy: -152.164
flat angles C4'-P-C4' energy: -171.555
flat angles P-C4'-P energy: -108.999
tors. eta vs tors. theta energy: -192.767
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: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2167.650860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.650860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.914947 (E_RNA)
where:
Base-Base interactions energy: -1440.822
where: short stacking energy: -614.325
Base-Backbone interact. energy: -2.664
local terms energy: -726.429539
where:
bonds (distance) C4'-P energy: -145.048
bonds (distance) P-C4' energy: -134.164
flat angles C4'-P-C4' energy: -154.650
flat angles P-C4'-P energy: -114.821
tors. eta vs tors. theta energy: -177.746
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: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2127.301655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.301655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.246373 (E_RNA)
where:
Base-Base interactions energy: -1423.280
where: short stacking energy: -606.971
Base-Backbone interact. energy: -3.141
local terms energy: -702.825260
where:
bonds (distance) C4'-P energy: -132.667
bonds (distance) P-C4' energy: -134.609
flat angles C4'-P-C4' energy: -160.366
flat angles P-C4'-P energy: -104.353
tors. eta vs tors. theta energy: -170.831
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2040.216159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.216159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.998011 (E_RNA)
where:
Base-Base interactions energy: -1400.185
where: short stacking energy: -592.261
Base-Backbone interact. energy: 4.893
local terms energy: -647.705739
where:
bonds (distance) C4'-P energy: -122.038
bonds (distance) P-C4' energy: -131.992
flat angles C4'-P-C4' energy: -141.059
flat angles P-C4'-P energy: -100.217
tors. eta vs tors. theta energy: -152.399
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1876.291414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.291414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.919593 (E_RNA)
where:
Base-Base interactions energy: -1325.575
where: short stacking energy: -540.093
Base-Backbone interact. energy: 2.959
local terms energy: -559.304236
where:
bonds (distance) C4'-P energy: -123.241
bonds (distance) P-C4' energy: -110.234
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -125.837
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: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1893.076062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.076062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.462534 (E_RNA)
where:
Base-Base interactions energy: -1294.404
where: short stacking energy: -514.702
Base-Backbone interact. energy: 7.684
local terms energy: -610.742116
where:
bonds (distance) C4'-P energy: -111.939
bonds (distance) P-C4' energy: -134.985
flat angles C4'-P-C4' energy: -124.972
flat angles P-C4'-P energy: -101.413
tors. eta vs tors. theta energy: -137.432
Dist. restrs. and SS energy: 4.386 (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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2766.162229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.162229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.556200 (E_RNA)
where:
Base-Base interactions energy: -1892.242
where: short stacking energy: -784.552
Base-Backbone interact. energy: -4.068
local terms energy: -872.246073
where:
bonds (distance) C4'-P energy: -168.670
bonds (distance) P-C4' energy: -174.175
flat angles C4'-P-C4' energy: -175.110
flat angles P-C4'-P energy: -126.623
tors. eta vs tors. theta energy: -227.668
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: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2662.779348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.779348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.804102 (E_RNA)
where:
Base-Base interactions energy: -1828.151
where: short stacking energy: -794.093
Base-Backbone interact. energy: 0.626
local terms energy: -836.278702
where:
bonds (distance) C4'-P energy: -161.663
bonds (distance) P-C4' energy: -154.384
flat angles C4'-P-C4' energy: -188.590
flat angles P-C4'-P energy: -109.392
tors. eta vs tors. theta energy: -222.249
Dist. restrs. and SS energy: 1.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2607.632562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.632562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.336112 (E_RNA)
where:
Base-Base interactions energy: -1810.081
where: short stacking energy: -773.750
Base-Backbone interact. energy: 0.626
local terms energy: -800.880526
where:
bonds (distance) C4'-P energy: -130.856
bonds (distance) P-C4' energy: -152.061
flat angles C4'-P-C4' energy: -167.206
flat angles P-C4'-P energy: -122.782
tors. eta vs tors. theta energy: -227.974
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: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2475.444834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.444834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.735072 (E_RNA)
where:
Base-Base interactions energy: -1686.840
where: short stacking energy: -733.938
Base-Backbone interact. energy: -4.921
local terms energy: -784.974146
where:
bonds (distance) C4'-P energy: -116.184
bonds (distance) P-C4' energy: -165.384
flat angles C4'-P-C4' energy: -168.607
flat angles P-C4'-P energy: -126.112
tors. eta vs tors. theta energy: -208.687
Dist. restrs. and SS energy: 1.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2373.679192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.679192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.635537 (E_RNA)
where:
Base-Base interactions energy: -1647.170
where: short stacking energy: -678.454
Base-Backbone interact. energy: -3.364
local terms energy: -725.101572
where:
bonds (distance) C4'-P energy: -144.203
bonds (distance) P-C4' energy: -145.100
flat angles C4'-P-C4' energy: -142.744
flat angles P-C4'-P energy: -105.918
tors. eta vs tors. theta energy: -187.137
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: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2149.662678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.662678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.255649 (E_RNA)
where:
Base-Base interactions energy: -1457.667
where: short stacking energy: -622.055
Base-Backbone interact. energy: -1.811
local terms energy: -691.777708
where:
bonds (distance) C4'-P energy: -126.659
bonds (distance) P-C4' energy: -138.037
flat angles C4'-P-C4' energy: -160.689
flat angles P-C4'-P energy: -103.285
tors. eta vs tors. theta energy: -163.109
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: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2107.041820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.041820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.998319 (E_RNA)
where:
Base-Base interactions energy: -1429.491
where: short stacking energy: -621.665
Base-Backbone interact. energy: 2.451
local terms energy: -682.957944
where:
bonds (distance) C4'-P energy: -135.749
bonds (distance) P-C4' energy: -144.189
flat angles C4'-P-C4' energy: -145.470
flat angles P-C4'-P energy: -87.294
tors. eta vs tors. theta energy: -170.256
Dist. restrs. and SS energy: 2.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -2038.259124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.259124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.001708 (E_RNA)
where:
Base-Base interactions energy: -1370.822
where: short stacking energy: -578.414
Base-Backbone interact. energy: -1.966
local terms energy: -667.213897
where:
bonds (distance) C4'-P energy: -140.400
bonds (distance) P-C4' energy: -139.985
flat angles C4'-P-C4' energy: -138.339
flat angles P-C4'-P energy: -106.586
tors. eta vs tors. theta energy: -141.904
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1975.765424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.765424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.997640 (E_RNA)
where:
Base-Base interactions energy: -1316.556
where: short stacking energy: -551.777
Base-Backbone interact. energy: 4.780
local terms energy: -667.222036
where:
bonds (distance) C4'-P energy: -133.807
bonds (distance) P-C4' energy: -126.877
flat angles C4'-P-C4' energy: -152.984
flat angles P-C4'-P energy: -95.092
tors. eta vs tors. theta energy: -158.463
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: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1870.327054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.327054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.016470 (E_RNA)
where:
Base-Base interactions energy: -1279.055
where: short stacking energy: -545.507
Base-Backbone interact. energy: 1.317
local terms energy: -595.278134
where:
bonds (distance) C4'-P energy: -126.172
bonds (distance) P-C4' energy: -116.530
flat angles C4'-P-C4' energy: -136.914
flat angles P-C4'-P energy: -86.702
tors. eta vs tors. theta energy: -128.960
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2775.870761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.870761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.565207 (E_RNA)
where:
Base-Base interactions energy: -1902.377
where: short stacking energy: -784.595
Base-Backbone interact. energy: -6.530
local terms energy: -868.658071
where:
bonds (distance) C4'-P energy: -160.726
bonds (distance) P-C4' energy: -166.304
flat angles C4'-P-C4' energy: -185.604
flat angles P-C4'-P energy: -120.240
tors. eta vs tors. theta energy: -235.785
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: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2703.505255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.505255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.165204 (E_RNA)
where:
Base-Base interactions energy: -1864.667
where: short stacking energy: -791.124
Base-Backbone interact. energy: 1.064
local terms energy: -841.561591
where:
bonds (distance) C4'-P energy: -156.726
bonds (distance) P-C4' energy: -159.663
flat angles C4'-P-C4' energy: -168.373
flat angles P-C4'-P energy: -119.536
tors. eta vs tors. theta energy: -237.264
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: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2612.906907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.906907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.120361 (E_RNA)
where:
Base-Base interactions energy: -1794.487
where: short stacking energy: -783.366
Base-Backbone interact. energy: -3.481
local terms energy: -818.152197
where:
bonds (distance) C4'-P energy: -159.028
bonds (distance) P-C4' energy: -140.018
flat angles C4'-P-C4' energy: -181.900
flat angles P-C4'-P energy: -115.740
tors. eta vs tors. theta energy: -221.466
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2482.449425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.449425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.964325 (E_RNA)
where:
Base-Base interactions energy: -1711.556
where: short stacking energy: -750.230
Base-Backbone interact. energy: 9.518
local terms energy: -781.925795
where:
bonds (distance) C4'-P energy: -146.388
bonds (distance) P-C4' energy: -138.110
flat angles C4'-P-C4' energy: -176.376
flat angles P-C4'-P energy: -113.349
tors. eta vs tors. theta energy: -207.703
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: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2408.235274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.235274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.749977 (E_RNA)
where:
Base-Base interactions energy: -1669.409
where: short stacking energy: -730.507
Base-Backbone interact. energy: -5.478
local terms energy: -734.862909
where:
bonds (distance) C4'-P energy: -126.501
bonds (distance) P-C4' energy: -136.279
flat angles C4'-P-C4' energy: -166.547
flat angles P-C4'-P energy: -102.287
tors. eta vs tors. theta energy: -203.249
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: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2156.843234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.843234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.210407 (E_RNA)
where:
Base-Base interactions energy: -1454.047
where: short stacking energy: -621.855
Base-Backbone interact. energy: -1.212
local terms energy: -702.951489
where:
bonds (distance) C4'-P energy: -128.090
bonds (distance) P-C4' energy: -156.077
flat angles C4'-P-C4' energy: -160.241
flat angles P-C4'-P energy: -107.262
tors. eta vs tors. theta energy: -151.282
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2109.715777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.715777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.032201 (E_RNA)
where:
Base-Base interactions energy: -1442.533
where: short stacking energy: -626.796
Base-Backbone interact. energy: 2.012
local terms energy: -671.510725
where:
bonds (distance) C4'-P energy: -119.345
bonds (distance) P-C4' energy: -140.220
flat angles C4'-P-C4' energy: -152.842
flat angles P-C4'-P energy: -94.949
tors. eta vs tors. theta energy: -164.154
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2042.284620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.284620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.700450 (E_RNA)
where:
Base-Base interactions energy: -1384.209
where: short stacking energy: -598.966
Base-Backbone interact. energy: -2.753
local terms energy: -657.738846
where:
bonds (distance) C4'-P energy: -129.238
bonds (distance) P-C4' energy: -121.039
flat angles C4'-P-C4' energy: -171.274
flat angles P-C4'-P energy: -85.636
tors. eta vs tors. theta energy: -150.553
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: 147
Temperature: 1.300000
Total energy: -1889.075041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.075041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.010639 (E_RNA)
where:
Base-Base interactions energy: -1306.795
where: short stacking energy: -558.198
Base-Backbone interact. energy: 5.383
local terms energy: -589.598146
where:
bonds (distance) C4'-P energy: -100.910
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -141.576
flat angles P-C4'-P energy: -80.208
tors. eta vs tors. theta energy: -145.146
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1886.618339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.618339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.783142 (E_RNA)
where:
Base-Base interactions energy: -1304.982
where: short stacking energy: -551.156
Base-Backbone interact. energy: 5.431
local terms energy: -591.232045
where:
bonds (distance) C4'-P energy: -115.365
bonds (distance) P-C4' energy: -111.619
flat angles C4'-P-C4' energy: -157.798
flat angles P-C4'-P energy: -79.324
tors. eta vs tors. theta energy: -127.125
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: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2790.962859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.962859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.762410 (E_RNA)
where:
Base-Base interactions energy: -1937.699
where: short stacking energy: -824.899
Base-Backbone interact. energy: 0.058
local terms energy: -855.121531
where:
bonds (distance) C4'-P energy: -156.753
bonds (distance) P-C4' energy: -157.459
flat angles C4'-P-C4' energy: -184.611
flat angles P-C4'-P energy: -122.576
tors. eta vs tors. theta energy: -233.723
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: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2722.521332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.521332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.978394 (E_RNA)
where:
Base-Base interactions energy: -1895.013
where: short stacking energy: -809.261
Base-Backbone interact. energy: -0.510
local terms energy: -828.455352
where:
bonds (distance) C4'-P energy: -153.689
bonds (distance) P-C4' energy: -147.723
flat angles C4'-P-C4' energy: -180.568
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -234.899
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2614.287263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.287263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.484298 (E_RNA)
where:
Base-Base interactions energy: -1787.196
where: short stacking energy: -742.295
Base-Backbone interact. energy: -2.549
local terms energy: -826.739314
where:
bonds (distance) C4'-P energy: -151.247
bonds (distance) P-C4' energy: -162.403
flat angles C4'-P-C4' energy: -169.184
flat angles P-C4'-P energy: -123.526
tors. eta vs tors. theta energy: -220.379
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2473.906861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.906861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.366940 (E_RNA)
where:
Base-Base interactions energy: -1675.901
where: short stacking energy: -730.179
Base-Backbone interact. energy: -1.823
local terms energy: -797.643008
where:
bonds (distance) C4'-P energy: -133.395
bonds (distance) P-C4' energy: -152.002
flat angles C4'-P-C4' energy: -179.153
flat angles P-C4'-P energy: -125.862
tors. eta vs tors. theta energy: -207.232
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: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2377.413654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.413654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.905282 (E_RNA)
where:
Base-Base interactions energy: -1618.732
where: short stacking energy: -680.864
Base-Backbone interact. energy: -3.183
local terms energy: -756.989824
where:
bonds (distance) C4'-P energy: -132.939
bonds (distance) P-C4' energy: -136.571
flat angles C4'-P-C4' energy: -166.572
flat angles P-C4'-P energy: -125.731
tors. eta vs tors. theta energy: -195.177
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: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2191.659498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.659498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.027851 (E_RNA)
where:
Base-Base interactions energy: -1474.164
where: short stacking energy: -655.874
Base-Backbone interact. energy: 2.801
local terms energy: -721.665422
where:
bonds (distance) C4'-P energy: -131.868
bonds (distance) P-C4' energy: -159.032
flat angles C4'-P-C4' energy: -155.272
flat angles P-C4'-P energy: -102.654
tors. eta vs tors. theta energy: -172.839
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2096.285937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.285937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.541775 (E_RNA)
where:
Base-Base interactions energy: -1416.444
where: short stacking energy: -613.626
Base-Backbone interact. energy: -1.562
local terms energy: -680.536291
where:
bonds (distance) C4'-P energy: -141.576
bonds (distance) P-C4' energy: -136.441
flat angles C4'-P-C4' energy: -145.148
flat angles P-C4'-P energy: -105.795
tors. eta vs tors. theta energy: -151.576
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: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1993.757653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.757653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.903477 (E_RNA)
where:
Base-Base interactions energy: -1338.724
where: short stacking energy: -577.193
Base-Backbone interact. energy: -3.903
local terms energy: -653.276534
where:
bonds (distance) C4'-P energy: -126.944
bonds (distance) P-C4' energy: -129.862
flat angles C4'-P-C4' energy: -142.188
flat angles P-C4'-P energy: -96.128
tors. eta vs tors. theta energy: -158.155
Dist. restrs. and SS energy: 2.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1924.133641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.133641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.835778 (E_RNA)
where:
Base-Base interactions energy: -1297.628
where: short stacking energy: -557.338
Base-Backbone interact. energy: 3.403
local terms energy: -632.611728
where:
bonds (distance) C4'-P energy: -123.880
bonds (distance) P-C4' energy: -155.814
flat angles C4'-P-C4' energy: -139.085
flat angles P-C4'-P energy: -79.455
tors. eta vs tors. theta energy: -134.377
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: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1803.794133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.794133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.912253 (E_RNA)
where:
Base-Base interactions energy: -1245.459
where: short stacking energy: -500.938
Base-Backbone interact. energy: 0.936
local terms energy: -566.388843
where:
bonds (distance) C4'-P energy: -131.503
bonds (distance) P-C4' energy: -108.778
flat angles C4'-P-C4' energy: -138.661
flat angles P-C4'-P energy: -62.858
tors. eta vs tors. theta energy: -124.590
Dist. restrs. and SS energy: 7.118 (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: 149
Temperature: 0.900000
Total energy: -2764.417962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.417962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.787068 (E_RNA)
where:
Base-Base interactions energy: -1915.386
where: short stacking energy: -819.561
Base-Backbone interact. energy: -3.907
local terms energy: -847.493849
where:
bonds (distance) C4'-P energy: -150.946
bonds (distance) P-C4' energy: -161.199
flat angles C4'-P-C4' energy: -192.991
flat angles P-C4'-P energy: -117.386
tors. eta vs tors. theta energy: -224.972
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: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2700.225026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.225026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.236134 (E_RNA)
where:
Base-Base interactions energy: -1862.966
where: short stacking energy: -785.014
Base-Backbone interact. energy: -1.724
local terms energy: -837.546482
where:
bonds (distance) C4'-P energy: -145.613
bonds (distance) P-C4' energy: -150.622
flat angles C4'-P-C4' energy: -186.484
flat angles P-C4'-P energy: -122.575
tors. eta vs tors. theta energy: -232.252
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: 149
Temperature: 1.000000
Total energy: -2574.424223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.424223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.322077 (E_RNA)
where:
Base-Base interactions energy: -1767.665
where: short stacking energy: -753.211
Base-Backbone interact. energy: 0.635
local terms energy: -809.291808
where:
bonds (distance) C4'-P energy: -155.706
bonds (distance) P-C4' energy: -159.037
flat angles C4'-P-C4' energy: -171.801
flat angles P-C4'-P energy: -108.313
tors. eta vs tors. theta energy: -214.435
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: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2484.900067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.900067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.251504 (E_RNA)
where:
Base-Base interactions energy: -1708.618
where: short stacking energy: -733.574
Base-Backbone interact. energy: 0.341
local terms energy: -777.974774
where:
bonds (distance) C4'-P energy: -141.874
bonds (distance) P-C4' energy: -129.265
flat angles C4'-P-C4' energy: -169.708
flat angles P-C4'-P energy: -118.836
tors. eta vs tors. theta energy: -218.292
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: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2408.672668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.672668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.527235 (E_RNA)
where:
Base-Base interactions energy: -1647.679
where: short stacking energy: -701.371
Base-Backbone interact. energy: -0.806
local terms energy: -762.042052
where:
bonds (distance) C4'-P energy: -144.148
bonds (distance) P-C4' energy: -146.548
flat angles C4'-P-C4' energy: -176.996
flat angles P-C4'-P energy: -104.979
tors. eta vs tors. theta energy: -189.371
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2179.166067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.166067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.171286 (E_RNA)
where:
Base-Base interactions energy: -1453.577
where: short stacking energy: -623.421
Base-Backbone interact. energy: -2.341
local terms energy: -725.253191
where:
bonds (distance) C4'-P energy: -137.488
bonds (distance) P-C4' energy: -147.737
flat angles C4'-P-C4' energy: -164.340
flat angles P-C4'-P energy: -110.531
tors. eta vs tors. theta energy: -165.156
Dist. restrs. and SS energy: 2.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2063.332031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.332031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.746528 (E_RNA)
where:
Base-Base interactions energy: -1379.410
where: short stacking energy: -596.197
Base-Backbone interact. energy: -2.887
local terms energy: -683.450310
where:
bonds (distance) C4'-P energy: -127.878
bonds (distance) P-C4' energy: -152.645
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -158.826
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: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2021.382292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.382292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.862778 (E_RNA)
where:
Base-Base interactions energy: -1359.589
where: short stacking energy: -587.479
Base-Backbone interact. energy: -1.366
local terms energy: -663.908086
where:
bonds (distance) C4'-P energy: -127.807
bonds (distance) P-C4' energy: -125.651
flat angles C4'-P-C4' energy: -152.740
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -166.584
Dist. restrs. and SS energy: 3.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1974.279706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.279706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.768941 (E_RNA)
where:
Base-Base interactions energy: -1364.017
where: short stacking energy: -558.031
Base-Backbone interact. energy: 1.302
local terms energy: -615.053936
where:
bonds (distance) C4'-P energy: -131.659
bonds (distance) P-C4' energy: -134.175
flat angles C4'-P-C4' energy: -123.341
flat angles P-C4'-P energy: -86.325
tors. eta vs tors. theta energy: -139.554
Dist. restrs. and SS energy: 3.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1819.139123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.139123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.436171 (E_RNA)
where:
Base-Base interactions energy: -1212.321
where: short stacking energy: -498.651
Base-Backbone interact. energy: 3.694
local terms energy: -615.809537
where:
bonds (distance) C4'-P energy: -126.577
bonds (distance) P-C4' energy: -135.768
flat angles C4'-P-C4' energy: -140.188
flat angles P-C4'-P energy: -77.589
tors. eta vs tors. theta energy: -135.688
Dist. restrs. and SS energy: 5.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2752.300108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.300108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.497281 (E_RNA)
where:
Base-Base interactions energy: -1888.927
where: short stacking energy: -777.697
Base-Backbone interact. energy: -3.875
local terms energy: -860.695391
where:
bonds (distance) C4'-P energy: -158.303
bonds (distance) P-C4' energy: -162.359
flat angles C4'-P-C4' energy: -192.321
flat angles P-C4'-P energy: -119.450
tors. eta vs tors. theta energy: -228.262
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: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2676.655905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.655905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.772714 (E_RNA)
where:
Base-Base interactions energy: -1829.538
where: short stacking energy: -808.814
Base-Backbone interact. energy: 0.603
local terms energy: -848.838108
where:
bonds (distance) C4'-P energy: -155.140
bonds (distance) P-C4' energy: -151.552
flat angles C4'-P-C4' energy: -177.843
flat angles P-C4'-P energy: -125.494
tors. eta vs tors. theta energy: -238.809
Dist. restrs. and SS energy: 1.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2535.904811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.904811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.611126 (E_RNA)
where:
Base-Base interactions energy: -1713.242
where: short stacking energy: -721.428
Base-Backbone interact. energy: -1.844
local terms energy: -822.524575
where:
bonds (distance) C4'-P energy: -163.421
bonds (distance) P-C4' energy: -165.855
flat angles C4'-P-C4' energy: -174.537
flat angles P-C4'-P energy: -111.326
tors. eta vs tors. theta energy: -207.386
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: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2510.640523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.640523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.056719 (E_RNA)
where:
Base-Base interactions energy: -1707.583
where: short stacking energy: -713.862
Base-Backbone interact. energy: -3.495
local terms energy: -800.979052
where:
bonds (distance) C4'-P energy: -149.342
bonds (distance) P-C4' energy: -136.913
flat angles C4'-P-C4' energy: -181.942
flat angles P-C4'-P energy: -121.045
tors. eta vs tors. theta energy: -211.737
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: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2378.070476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.070476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.557778 (E_RNA)
where:
Base-Base interactions energy: -1615.121
where: short stacking energy: -690.953
Base-Backbone interact. energy: 2.371
local terms energy: -767.807382
where:
bonds (distance) C4'-P energy: -147.956
bonds (distance) P-C4' energy: -144.789
flat angles C4'-P-C4' energy: -166.231
flat angles P-C4'-P energy: -117.635
tors. eta vs tors. theta energy: -191.197
Dist. restrs. and SS energy: 2.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2192.495907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.495907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.460940 (E_RNA)
where:
Base-Base interactions energy: -1480.839
where: short stacking energy: -615.012
Base-Backbone interact. energy: 2.686
local terms energy: -716.307372
where:
bonds (distance) C4'-P energy: -151.917
bonds (distance) P-C4' energy: -143.912
flat angles C4'-P-C4' energy: -150.954
flat angles P-C4'-P energy: -96.257
tors. eta vs tors. theta energy: -173.267
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: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2079.785371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.785371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.325619 (E_RNA)
where:
Base-Base interactions energy: -1412.533
where: short stacking energy: -620.767
Base-Backbone interact. energy: -1.354
local terms energy: -668.438784
where:
bonds (distance) C4'-P energy: -143.802
bonds (distance) P-C4' energy: -139.100
flat angles C4'-P-C4' energy: -139.130
flat angles P-C4'-P energy: -85.572
tors. eta vs tors. theta energy: -160.835
Dist. restrs. and SS energy: 2.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2033.607369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.607369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.704867 (E_RNA)
where:
Base-Base interactions energy: -1374.325
where: short stacking energy: -587.587
Base-Backbone interact. energy: 1.756
local terms energy: -663.135680
where:
bonds (distance) C4'-P energy: -133.422
bonds (distance) P-C4' energy: -125.513
flat angles C4'-P-C4' energy: -158.069
flat angles P-C4'-P energy: -105.803
tors. eta vs tors. theta energy: -140.329
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: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1956.907500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.907500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.377698 (E_RNA)
where:
Base-Base interactions energy: -1338.252
where: short stacking energy: -551.029
Base-Backbone interact. energy: -0.261
local terms energy: -620.864668
where:
bonds (distance) C4'-P energy: -146.225
bonds (distance) P-C4' energy: -115.505
flat angles C4'-P-C4' energy: -136.598
flat angles P-C4'-P energy: -88.893
tors. eta vs tors. theta energy: -133.644
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: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1851.590348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.590348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.879615 (E_RNA)
where:
Base-Base interactions energy: -1267.312
where: short stacking energy: -529.227
Base-Backbone interact. energy: 2.833
local terms energy: -590.400432
where:
bonds (distance) C4'-P energy: -119.613
bonds (distance) P-C4' energy: -113.872
flat angles C4'-P-C4' energy: -144.031
flat angles P-C4'-P energy: -82.493
tors. eta vs tors. theta energy: -130.392
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: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2800.431426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.431426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.366003 (E_RNA)
where:
Base-Base interactions energy: -1918.440
where: short stacking energy: -803.703
Base-Backbone interact. energy: -2.430
local terms energy: -880.495781
where:
bonds (distance) C4'-P energy: -178.698
bonds (distance) P-C4' energy: -169.513
flat angles C4'-P-C4' energy: -179.157
flat angles P-C4'-P energy: -124.922
tors. eta vs tors. theta energy: -228.205
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2660.045802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.045802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.728862 (E_RNA)
where:
Base-Base interactions energy: -1820.099
where: short stacking energy: -786.428
Base-Backbone interact. energy: -2.066
local terms energy: -840.564091
where:
bonds (distance) C4'-P energy: -169.213
bonds (distance) P-C4' energy: -149.862
flat angles C4'-P-C4' energy: -175.542
flat angles P-C4'-P energy: -121.521
tors. eta vs tors. theta energy: -224.427
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2567.582743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.582743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.985996 (E_RNA)
where:
Base-Base interactions energy: -1755.612
where: short stacking energy: -746.613
Base-Backbone interact. energy: 0.454
local terms energy: -813.827676
where:
bonds (distance) C4'-P energy: -146.204
bonds (distance) P-C4' energy: -155.385
flat angles C4'-P-C4' energy: -165.210
flat angles P-C4'-P energy: -119.906
tors. eta vs tors. theta energy: -227.121
Dist. restrs. and SS energy: 1.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2549.276651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.276651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.267026 (E_RNA)
where:
Base-Base interactions energy: -1711.707
where: short stacking energy: -744.551
Base-Backbone interact. energy: -1.680
local terms energy: -837.879830
where:
bonds (distance) C4'-P energy: -152.346
bonds (distance) P-C4' energy: -160.163
flat angles C4'-P-C4' energy: -177.511
flat angles P-C4'-P energy: -120.241
tors. eta vs tors. theta energy: -227.618
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2420.187958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.187958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.197874 (E_RNA)
where:
Base-Base interactions energy: -1676.317
where: short stacking energy: -701.999
Base-Backbone interact. energy: -4.044
local terms energy: -740.836510
where:
bonds (distance) C4'-P energy: -129.593
bonds (distance) P-C4' energy: -149.942
flat angles C4'-P-C4' energy: -150.765
flat angles P-C4'-P energy: -110.941
tors. eta vs tors. theta energy: -199.596
Dist. restrs. and SS energy: 1.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2167.429858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.429858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.075546 (E_RNA)
where:
Base-Base interactions energy: -1435.185
where: short stacking energy: -619.850
Base-Backbone interact. energy: 3.034
local terms energy: -736.923979
where:
bonds (distance) C4'-P energy: -151.639
bonds (distance) P-C4' energy: -140.094
flat angles C4'-P-C4' energy: -177.440
flat angles P-C4'-P energy: -109.625
tors. eta vs tors. theta energy: -158.126
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: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2079.102734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.102734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.220409 (E_RNA)
where:
Base-Base interactions energy: -1389.184
where: short stacking energy: -610.527
Base-Backbone interact. energy: -0.183
local terms energy: -691.853162
where:
bonds (distance) C4'-P energy: -142.593
bonds (distance) P-C4' energy: -159.490
flat angles C4'-P-C4' energy: -137.371
flat angles P-C4'-P energy: -94.444
tors. eta vs tors. theta energy: -157.956
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: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1993.134795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.134795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.070896 (E_RNA)
where:
Base-Base interactions energy: -1346.840
where: short stacking energy: -579.444
Base-Backbone interact. energy: -2.999
local terms energy: -646.231886
where:
bonds (distance) C4'-P energy: -121.442
bonds (distance) P-C4' energy: -148.636
flat angles C4'-P-C4' energy: -145.062
flat angles P-C4'-P energy: -80.283
tors. eta vs tors. theta energy: -150.809
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: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1892.578253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.578253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.745321 (E_RNA)
where:
Base-Base interactions energy: -1293.135
where: short stacking energy: -562.858
Base-Backbone interact. energy: 6.618
local terms energy: -610.228482
where:
bonds (distance) C4'-P energy: -138.071
bonds (distance) P-C4' energy: -128.800
flat angles C4'-P-C4' energy: -135.608
flat angles P-C4'-P energy: -72.837
tors. eta vs tors. theta energy: -134.912
Dist. restrs. and SS energy: 4.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1884.262049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.262049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.906024 (E_RNA)
where:
Base-Base interactions energy: -1274.458
where: short stacking energy: -532.920
Base-Backbone interact. energy: 5.552
local terms energy: -618.000718
where:
bonds (distance) C4'-P energy: -126.230
bonds (distance) P-C4' energy: -131.566
flat angles C4'-P-C4' energy: -136.091
flat angles P-C4'-P energy: -97.706
tors. eta vs tors. theta energy: -126.407
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: 152
Temperature: 0.900000
Total energy: -2782.381414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.381414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.140840 (E_RNA)
where:
Base-Base interactions energy: -1911.677
where: short stacking energy: -808.752
Base-Backbone interact. energy: -5.076
local terms energy: -866.388584
where:
bonds (distance) C4'-P energy: -157.896
bonds (distance) P-C4' energy: -165.880
flat angles C4'-P-C4' energy: -184.978
flat angles P-C4'-P energy: -122.673
tors. eta vs tors. theta energy: -234.962
Dist. restrs. and SS energy: 0.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2691.236594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.236594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.620171 (E_RNA)
where:
Base-Base interactions energy: -1838.335
where: short stacking energy: -797.254
Base-Backbone interact. energy: -4.911
local terms energy: -849.374419
where:
bonds (distance) C4'-P energy: -155.836
bonds (distance) P-C4' energy: -160.289
flat angles C4'-P-C4' energy: -184.767
flat angles P-C4'-P energy: -117.817
tors. eta vs tors. theta energy: -230.666
Dist. restrs. and SS energy: 1.384 (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: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2604.221419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.221419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.673499 (E_RNA)
where:
Base-Base interactions energy: -1805.762
where: short stacking energy: -773.846
Base-Backbone interact. energy: -2.053
local terms energy: -797.858302
where:
bonds (distance) C4'-P energy: -140.919
bonds (distance) P-C4' energy: -144.996
flat angles C4'-P-C4' energy: -190.280
flat angles P-C4'-P energy: -109.537
tors. eta vs tors. theta energy: -212.126
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2480.714631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.714631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.990384 (E_RNA)
where:
Base-Base interactions energy: -1676.935
where: short stacking energy: -716.436
Base-Backbone interact. energy: -2.715
local terms energy: -802.340586
where:
bonds (distance) C4'-P energy: -144.597
bonds (distance) P-C4' energy: -161.173
flat angles C4'-P-C4' energy: -170.806
flat angles P-C4'-P energy: -109.813
tors. eta vs tors. theta energy: -215.952
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2409.911645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.911645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.109267 (E_RNA)
where:
Base-Base interactions energy: -1681.164
where: short stacking energy: -725.333
Base-Backbone interact. energy: -4.627
local terms energy: -725.318018
where:
bonds (distance) C4'-P energy: -131.602
bonds (distance) P-C4' energy: -134.179
flat angles C4'-P-C4' energy: -158.887
flat angles P-C4'-P energy: -91.066
tors. eta vs tors. theta energy: -209.584
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: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2117.840317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.840317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.771575 (E_RNA)
where:
Base-Base interactions energy: -1394.514
where: short stacking energy: -599.757
Base-Backbone interact. energy: 2.286
local terms energy: -727.543589
where:
bonds (distance) C4'-P energy: -146.603
bonds (distance) P-C4' energy: -156.315
flat angles C4'-P-C4' energy: -162.001
flat angles P-C4'-P energy: -104.371
tors. eta vs tors. theta energy: -158.254
Dist. restrs. and SS energy: 1.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2090.051296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.051296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.566968 (E_RNA)
where:
Base-Base interactions energy: -1434.291
where: short stacking energy: -624.579
Base-Backbone interact. energy: -1.818
local terms energy: -656.457642
where:
bonds (distance) C4'-P energy: -138.129
bonds (distance) P-C4' energy: -138.434
flat angles C4'-P-C4' energy: -121.325
flat angles P-C4'-P energy: -98.603
tors. eta vs tors. theta energy: -159.967
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: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2045.618015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.618015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.646042 (E_RNA)
where:
Base-Base interactions energy: -1399.271
where: short stacking energy: -604.239
Base-Backbone interact. energy: 7.068
local terms energy: -655.443600
where:
bonds (distance) C4'-P energy: -141.124
bonds (distance) P-C4' energy: -118.723
flat angles C4'-P-C4' energy: -154.558
flat angles P-C4'-P energy: -79.185
tors. eta vs tors. theta energy: -161.855
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: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1998.245900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.245900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.644767 (E_RNA)
where:
Base-Base interactions energy: -1396.117
where: short stacking energy: -585.459
Base-Backbone interact. energy: 4.618
local terms energy: -609.146275
where:
bonds (distance) C4'-P energy: -103.993
bonds (distance) P-C4' energy: -127.873
flat angles C4'-P-C4' energy: -158.188
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -137.553
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: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1821.883192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.883192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.309783 (E_RNA)
where:
Base-Base interactions energy: -1262.611
where: short stacking energy: -512.141
Base-Backbone interact. energy: 8.084
local terms energy: -571.783638
where:
bonds (distance) C4'-P energy: -127.847
bonds (distance) P-C4' energy: -112.478
flat angles C4'-P-C4' energy: -127.898
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -121.812
Dist. restrs. and SS energy: 4.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2794.218565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.218565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.646017 (E_RNA)
where:
Base-Base interactions energy: -1911.380
where: short stacking energy: -828.745
Base-Backbone interact. energy: -2.486
local terms energy: -881.779868
where:
bonds (distance) C4'-P energy: -164.708
bonds (distance) P-C4' energy: -168.448
flat angles C4'-P-C4' energy: -181.249
flat angles P-C4'-P energy: -134.230
tors. eta vs tors. theta energy: -233.145
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: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2714.627082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.627082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.174405 (E_RNA)
where:
Base-Base interactions energy: -1860.778
where: short stacking energy: -822.508
Base-Backbone interact. energy: -2.649
local terms energy: -852.747278
where:
bonds (distance) C4'-P energy: -135.981
bonds (distance) P-C4' energy: -161.035
flat angles C4'-P-C4' energy: -192.326
flat angles P-C4'-P energy: -121.120
tors. eta vs tors. theta energy: -242.286
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2579.295343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.295343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.969889 (E_RNA)
where:
Base-Base interactions energy: -1787.061
where: short stacking energy: -742.207
Base-Backbone interact. energy: -0.840
local terms energy: -793.068191
where:
bonds (distance) C4'-P energy: -137.846
bonds (distance) P-C4' energy: -168.511
flat angles C4'-P-C4' energy: -165.166
flat angles P-C4'-P energy: -120.801
tors. eta vs tors. theta energy: -200.744
Dist. restrs. and SS energy: 1.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2495.886990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.886990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.769743 (E_RNA)
where:
Base-Base interactions energy: -1701.057
where: short stacking energy: -730.284
Base-Backbone interact. energy: 0.133
local terms energy: -795.846007
where:
bonds (distance) C4'-P energy: -150.101
bonds (distance) P-C4' energy: -137.639
flat angles C4'-P-C4' energy: -171.164
flat angles P-C4'-P energy: -120.949
tors. eta vs tors. theta energy: -215.993
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: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2408.158499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.158499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.353948 (E_RNA)
where:
Base-Base interactions energy: -1644.761
where: short stacking energy: -702.720
Base-Backbone interact. energy: 4.488
local terms energy: -769.081339
where:
bonds (distance) C4'-P energy: -134.842
bonds (distance) P-C4' energy: -158.321
flat angles C4'-P-C4' energy: -163.028
flat angles P-C4'-P energy: -119.479
tors. eta vs tors. theta energy: -193.412
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: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2192.172386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.172386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.053745 (E_RNA)
where:
Base-Base interactions energy: -1450.640
where: short stacking energy: -642.255
Base-Backbone interact. energy: -3.746
local terms energy: -739.667449
where:
bonds (distance) C4'-P energy: -140.637
bonds (distance) P-C4' energy: -155.443
flat angles C4'-P-C4' energy: -164.690
flat angles P-C4'-P energy: -88.801
tors. eta vs tors. theta energy: -190.097
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2088.235186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.235186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.389005 (E_RNA)
where:
Base-Base interactions energy: -1392.776
where: short stacking energy: -589.391
Base-Backbone interact. energy: -0.238
local terms energy: -696.375145
where:
bonds (distance) C4'-P energy: -139.538
bonds (distance) P-C4' energy: -135.144
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -93.727
tors. eta vs tors. theta energy: -161.737
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: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2006.641988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.641988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.095912 (E_RNA)
where:
Base-Base interactions energy: -1362.644
where: short stacking energy: -583.525
Base-Backbone interact. energy: 0.286
local terms energy: -645.738347
where:
bonds (distance) C4'-P energy: -113.957
bonds (distance) P-C4' energy: -138.527
flat angles C4'-P-C4' energy: -151.097
flat angles P-C4'-P energy: -98.651
tors. eta vs tors. theta energy: -143.507
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1912.860114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.860114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.049456 (E_RNA)
where:
Base-Base interactions energy: -1343.779
where: short stacking energy: -549.014
Base-Backbone interact. energy: -2.574
local terms energy: -568.696248
where:
bonds (distance) C4'-P energy: -113.121
bonds (distance) P-C4' energy: -101.951
flat angles C4'-P-C4' energy: -126.386
flat angles P-C4'-P energy: -77.094
tors. eta vs tors. theta energy: -150.144
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: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1882.710625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.710625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.997171 (E_RNA)
where:
Base-Base interactions energy: -1279.624
where: short stacking energy: -551.258
Base-Backbone interact. energy: 1.060
local terms energy: -606.433184
where:
bonds (distance) C4'-P energy: -130.861
bonds (distance) P-C4' energy: -122.322
flat angles C4'-P-C4' energy: -132.146
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -141.849
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: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2786.657264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.657264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.725481 (E_RNA)
where:
Base-Base interactions energy: -1934.570
where: short stacking energy: -816.850
Base-Backbone interact. energy: -0.446
local terms energy: -852.710146
where:
bonds (distance) C4'-P energy: -138.227
bonds (distance) P-C4' energy: -152.797
flat angles C4'-P-C4' energy: -192.077
flat angles P-C4'-P energy: -122.770
tors. eta vs tors. theta energy: -246.840
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: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2688.364742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.364742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.616387 (E_RNA)
where:
Base-Base interactions energy: -1832.711
where: short stacking energy: -824.601
Base-Backbone interact. energy: -1.356
local terms energy: -856.549547
where:
bonds (distance) C4'-P energy: -163.260
bonds (distance) P-C4' energy: -157.527
flat angles C4'-P-C4' energy: -189.404
flat angles P-C4'-P energy: -109.081
tors. eta vs tors. theta energy: -237.278
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: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2577.065806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.065806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.514063 (E_RNA)
where:
Base-Base interactions energy: -1781.350
where: short stacking energy: -736.188
Base-Backbone interact. energy: -1.928
local terms energy: -795.235932
where:
bonds (distance) C4'-P energy: -144.712
bonds (distance) P-C4' energy: -156.389
flat angles C4'-P-C4' energy: -178.864
flat angles P-C4'-P energy: -110.979
tors. eta vs tors. theta energy: -204.292
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2484.279669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.279669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.073166 (E_RNA)
where:
Base-Base interactions energy: -1717.773
where: short stacking energy: -757.745
Base-Backbone interact. energy: 2.454
local terms energy: -770.754355
where:
bonds (distance) C4'-P energy: -149.676
bonds (distance) P-C4' energy: -127.249
flat angles C4'-P-C4' energy: -154.112
flat angles P-C4'-P energy: -114.172
tors. eta vs tors. theta energy: -225.546
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: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2363.236731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.236731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.536005 (E_RNA)
where:
Base-Base interactions energy: -1618.181
where: short stacking energy: -637.661
Base-Backbone interact. energy: -0.944
local terms energy: -745.410712
where:
bonds (distance) C4'-P energy: -132.136
bonds (distance) P-C4' energy: -157.906
flat angles C4'-P-C4' energy: -159.775
flat angles P-C4'-P energy: -123.128
tors. eta vs tors. theta energy: -172.465
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2138.048474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.048474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.753599 (E_RNA)
where:
Base-Base interactions energy: -1431.311
where: short stacking energy: -622.230
Base-Backbone interact. energy: 0.146
local terms energy: -709.588348
where:
bonds (distance) C4'-P energy: -151.742
bonds (distance) P-C4' energy: -132.824
flat angles C4'-P-C4' energy: -156.565
flat angles P-C4'-P energy: -99.153
tors. eta vs tors. theta energy: -169.305
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2124.503548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.503548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.718447 (E_RNA)
where:
Base-Base interactions energy: -1428.200
where: short stacking energy: -625.138
Base-Backbone interact. energy: -3.023
local terms energy: -695.495509
where:
bonds (distance) C4'-P energy: -137.918
bonds (distance) P-C4' energy: -131.772
flat angles C4'-P-C4' energy: -155.720
flat angles P-C4'-P energy: -98.244
tors. eta vs tors. theta energy: -171.841
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2023.128249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.128249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.997738 (E_RNA)
where:
Base-Base interactions energy: -1359.567
where: short stacking energy: -580.483
Base-Backbone interact. energy: 0.737
local terms energy: -667.167270
where:
bonds (distance) C4'-P energy: -138.766
bonds (distance) P-C4' energy: -139.891
flat angles C4'-P-C4' energy: -147.744
flat angles P-C4'-P energy: -88.101
tors. eta vs tors. theta energy: -152.666
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1956.929511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.929511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.332965 (E_RNA)
where:
Base-Base interactions energy: -1329.617
where: short stacking energy: -542.459
Base-Backbone interact. energy: -1.848
local terms energy: -626.868394
where:
bonds (distance) C4'-P energy: -117.210
bonds (distance) P-C4' energy: -138.607
flat angles C4'-P-C4' energy: -140.416
flat angles P-C4'-P energy: -91.228
tors. eta vs tors. theta energy: -139.408
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: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1900.071184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.071184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.013379 (E_RNA)
where:
Base-Base interactions energy: -1280.898
where: short stacking energy: -540.988
Base-Backbone interact. energy: -2.443
local terms energy: -618.672214
where:
bonds (distance) C4'-P energy: -103.265
bonds (distance) P-C4' energy: -130.950
flat angles C4'-P-C4' energy: -138.764
flat angles P-C4'-P energy: -98.008
tors. eta vs tors. theta energy: -147.685
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: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2772.031141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.031141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.251416 (E_RNA)
where:
Base-Base interactions energy: -1907.405
where: short stacking energy: -795.919
Base-Backbone interact. energy: -6.431
local terms energy: -859.415399
where:
bonds (distance) C4'-P energy: -149.458
bonds (distance) P-C4' energy: -159.402
flat angles C4'-P-C4' energy: -181.318
flat angles P-C4'-P energy: -127.576
tors. eta vs tors. theta energy: -241.661
Dist. restrs. and SS energy: 1.220 (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: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2699.526739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.526739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.506680 (E_RNA)
where:
Base-Base interactions energy: -1844.757
where: short stacking energy: -816.926
Base-Backbone interact. energy: -3.882
local terms energy: -852.867804
where:
bonds (distance) C4'-P energy: -160.296
bonds (distance) P-C4' energy: -157.583
flat angles C4'-P-C4' energy: -176.687
flat angles P-C4'-P energy: -118.198
tors. eta vs tors. theta energy: -240.103
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: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2572.212988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.212988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.067734 (E_RNA)
where:
Base-Base interactions energy: -1766.328
where: short stacking energy: -768.451
Base-Backbone interact. energy: 4.840
local terms energy: -812.579141
where:
bonds (distance) C4'-P energy: -147.500
bonds (distance) P-C4' energy: -144.675
flat angles C4'-P-C4' energy: -177.198
flat angles P-C4'-P energy: -116.720
tors. eta vs tors. theta energy: -226.486
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: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2533.458809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.458809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.494519 (E_RNA)
where:
Base-Base interactions energy: -1739.638
where: short stacking energy: -744.517
Base-Backbone interact. energy: -3.920
local terms energy: -791.936926
where:
bonds (distance) C4'-P energy: -159.498
bonds (distance) P-C4' energy: -135.559
flat angles C4'-P-C4' energy: -169.117
flat angles P-C4'-P energy: -107.997
tors. eta vs tors. theta energy: -219.765
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: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2385.366552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.366552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.576875 (E_RNA)
where:
Base-Base interactions energy: -1644.980
where: short stacking energy: -709.593
Base-Backbone interact. energy: 0.803
local terms energy: -743.399762
where:
bonds (distance) C4'-P energy: -130.114
bonds (distance) P-C4' energy: -158.852
flat angles C4'-P-C4' energy: -171.355
flat angles P-C4'-P energy: -94.910
tors. eta vs tors. theta energy: -188.169
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2158.713066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.713066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.096120 (E_RNA)
where:
Base-Base interactions energy: -1456.898
where: short stacking energy: -642.331
Base-Backbone interact. energy: 7.612
local terms energy: -710.810796
where:
bonds (distance) C4'-P energy: -137.622
bonds (distance) P-C4' energy: -132.619
flat angles C4'-P-C4' energy: -149.973
flat angles P-C4'-P energy: -112.957
tors. eta vs tors. theta energy: -177.641
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: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2123.116407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.116407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.544113 (E_RNA)
where:
Base-Base interactions energy: -1436.860
where: short stacking energy: -598.426
Base-Backbone interact. energy: 0.543
local terms energy: -688.227682
where:
bonds (distance) C4'-P energy: -144.508
bonds (distance) P-C4' energy: -148.651
flat angles C4'-P-C4' energy: -155.614
flat angles P-C4'-P energy: -92.755
tors. eta vs tors. theta energy: -146.701
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: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2005.166303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.166303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.137981 (E_RNA)
where:
Base-Base interactions energy: -1348.737
where: short stacking energy: -574.412
Base-Backbone interact. energy: -4.182
local terms energy: -654.219053
where:
bonds (distance) C4'-P energy: -123.161
bonds (distance) P-C4' energy: -138.768
flat angles C4'-P-C4' energy: -128.163
flat angles P-C4'-P energy: -100.704
tors. eta vs tors. theta energy: -163.422
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: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1940.515232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.515232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.285789 (E_RNA)
where:
Base-Base interactions energy: -1337.078
where: short stacking energy: -578.063
Base-Backbone interact. energy: -2.204
local terms energy: -603.004220
where:
bonds (distance) C4'-P energy: -115.596
bonds (distance) P-C4' energy: -106.656
flat angles C4'-P-C4' energy: -153.580
flat angles P-C4'-P energy: -84.541
tors. eta vs tors. theta energy: -142.630
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: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1873.920722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.920722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.797861 (E_RNA)
where:
Base-Base interactions energy: -1290.201
where: short stacking energy: -544.308
Base-Backbone interact. energy: -1.681
local terms energy: -584.916230
where:
bonds (distance) C4'-P energy: -108.995
bonds (distance) P-C4' energy: -134.864
flat angles C4'-P-C4' energy: -144.259
flat angles P-C4'-P energy: -74.230
tors. eta vs tors. theta energy: -122.569
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: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2787.289812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.236876 (E_RNA)
where:
Base-Base interactions energy: -1934.263
where: short stacking energy: -828.154
Base-Backbone interact. energy: -2.364
local terms energy: -851.609716
where:
bonds (distance) C4'-P energy: -159.927
bonds (distance) P-C4' energy: -149.712
flat angles C4'-P-C4' energy: -183.545
flat angles P-C4'-P energy: -118.136
tors. eta vs tors. theta energy: -240.290
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2739.603083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.603083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.946473 (E_RNA)
where:
Base-Base interactions energy: -1831.688
where: short stacking energy: -818.029
Base-Backbone interact. energy: -4.000
local terms energy: -905.258577
where:
bonds (distance) C4'-P energy: -179.835
bonds (distance) P-C4' energy: -158.836
flat angles C4'-P-C4' energy: -174.544
flat angles P-C4'-P energy: -135.858
tors. eta vs tors. theta energy: -256.186
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: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2561.707628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.707628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.145915 (E_RNA)
where:
Base-Base interactions energy: -1745.742
where: short stacking energy: -757.060
Base-Backbone interact. energy: 4.772
local terms energy: -823.176083
where:
bonds (distance) C4'-P energy: -158.971
bonds (distance) P-C4' energy: -163.591
flat angles C4'-P-C4' energy: -171.827
flat angles P-C4'-P energy: -118.265
tors. eta vs tors. theta energy: -210.523
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: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2467.449794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.449794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.941209 (E_RNA)
where:
Base-Base interactions energy: -1702.986
where: short stacking energy: -721.843
Base-Backbone interact. energy: -2.325
local terms energy: -763.630573
where:
bonds (distance) C4'-P energy: -117.111
bonds (distance) P-C4' energy: -142.211
flat angles C4'-P-C4' energy: -164.673
flat angles P-C4'-P energy: -127.069
tors. eta vs tors. theta energy: -212.567
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: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2433.599522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.599522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.084563 (E_RNA)
where:
Base-Base interactions energy: -1654.938
where: short stacking energy: -700.828
Base-Backbone interact. energy: -0.612
local terms energy: -780.534392
where:
bonds (distance) C4'-P energy: -165.485
bonds (distance) P-C4' energy: -130.195
flat angles C4'-P-C4' energy: -167.011
flat angles P-C4'-P energy: -109.410
tors. eta vs tors. theta energy: -208.434
Dist. restrs. and SS energy: 2.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2181.476827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.476827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.108686 (E_RNA)
where:
Base-Base interactions energy: -1492.821
where: short stacking energy: -648.390
Base-Backbone interact. energy: -1.732
local terms energy: -688.555286
where:
bonds (distance) C4'-P energy: -129.488
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -146.605
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -183.482
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: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2101.535429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.535429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.651680 (E_RNA)
where:
Base-Base interactions energy: -1449.711
where: short stacking energy: -634.979
Base-Backbone interact. energy: -3.114
local terms energy: -651.826765
where:
bonds (distance) C4'-P energy: -136.864
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -158.117
flat angles P-C4'-P energy: -66.324
tors. eta vs tors. theta energy: -168.183
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: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1974.696651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.696651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.643330 (E_RNA)
where:
Base-Base interactions energy: -1346.310
where: short stacking energy: -542.920
Base-Backbone interact. energy: -2.251
local terms energy: -628.081627
where:
bonds (distance) C4'-P energy: -122.263
bonds (distance) P-C4' energy: -134.739
flat angles C4'-P-C4' energy: -140.469
flat angles P-C4'-P energy: -95.734
tors. eta vs tors. theta energy: -134.877
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: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1941.521259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.521259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.351094 (E_RNA)
where:
Base-Base interactions energy: -1335.800
where: short stacking energy: -535.231
Base-Backbone interact. energy: -2.204
local terms energy: -610.347418
where:
bonds (distance) C4'-P energy: -124.081
bonds (distance) P-C4' energy: -133.286
flat angles C4'-P-C4' energy: -149.593
flat angles P-C4'-P energy: -68.942
tors. eta vs tors. theta energy: -134.446
Dist. restrs. and SS energy: 6.830 (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: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1840.281775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.281775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.099317 (E_RNA)
where:
Base-Base interactions energy: -1233.786
where: short stacking energy: -518.732
Base-Backbone interact. energy: -1.630
local terms energy: -609.683792
where:
bonds (distance) C4'-P energy: -123.056
bonds (distance) P-C4' energy: -145.852
flat angles C4'-P-C4' energy: -135.937
flat angles P-C4'-P energy: -80.495
tors. eta vs tors. theta energy: -124.344
Dist. restrs. and SS energy: 4.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2772.685022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.685022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.028421 (E_RNA)
where:
Base-Base interactions energy: -1891.502
where: short stacking energy: -810.570
Base-Backbone interact. energy: -4.149
local terms energy: -879.377936
where:
bonds (distance) C4'-P energy: -172.007
bonds (distance) P-C4' energy: -158.741
flat angles C4'-P-C4' energy: -198.409
flat angles P-C4'-P energy: -115.497
tors. eta vs tors. theta energy: -234.724
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: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2705.221508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.221508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.569100 (E_RNA)
where:
Base-Base interactions energy: -1829.888
where: short stacking energy: -794.948
Base-Backbone interact. energy: -2.444
local terms energy: -875.236664
where:
bonds (distance) C4'-P energy: -163.215
bonds (distance) P-C4' energy: -171.793
flat angles C4'-P-C4' energy: -175.659
flat angles P-C4'-P energy: -121.892
tors. eta vs tors. theta energy: -242.677
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2574.336364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.336364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.589308 (E_RNA)
where:
Base-Base interactions energy: -1740.329
where: short stacking energy: -764.641
Base-Backbone interact. energy: -3.212
local terms energy: -833.048893
where:
bonds (distance) C4'-P energy: -155.983
bonds (distance) P-C4' energy: -158.749
flat angles C4'-P-C4' energy: -179.468
flat angles P-C4'-P energy: -112.912
tors. eta vs tors. theta energy: -225.937
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2469.120289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.120289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.659238 (E_RNA)
where:
Base-Base interactions energy: -1680.965
where: short stacking energy: -733.717
Base-Backbone interact. energy: -2.843
local terms energy: -786.851223
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -152.051
flat angles C4'-P-C4' energy: -162.504
flat angles P-C4'-P energy: -120.182
tors. eta vs tors. theta energy: -219.399
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: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2431.570459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.570459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.949073 (E_RNA)
where:
Base-Base interactions energy: -1684.529
where: short stacking energy: -711.542
Base-Backbone interact. energy: -3.915
local terms energy: -746.505018
where:
bonds (distance) C4'-P energy: -136.982
bonds (distance) P-C4' energy: -127.884
flat angles C4'-P-C4' energy: -177.021
flat angles P-C4'-P energy: -105.598
tors. eta vs tors. theta energy: -199.020
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2179.182987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.182987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.978063 (E_RNA)
where:
Base-Base interactions energy: -1479.745
where: short stacking energy: -683.197
Base-Backbone interact. energy: -1.270
local terms energy: -699.963049
where:
bonds (distance) C4'-P energy: -138.838
bonds (distance) P-C4' energy: -134.402
flat angles C4'-P-C4' energy: -154.476
flat angles P-C4'-P energy: -95.058
tors. eta vs tors. theta energy: -177.189
Dist. restrs. and SS energy: 1.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2095.128589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.128589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.264495 (E_RNA)
where:
Base-Base interactions energy: -1383.443
where: short stacking energy: -600.429
Base-Backbone interact. energy: -2.991
local terms energy: -711.829596
where:
bonds (distance) C4'-P energy: -142.678
bonds (distance) P-C4' energy: -131.445
flat angles C4'-P-C4' energy: -149.159
flat angles P-C4'-P energy: -100.952
tors. eta vs tors. theta energy: -187.596
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1985.701991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.701991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.660539 (E_RNA)
where:
Base-Base interactions energy: -1335.212
where: short stacking energy: -549.132
Base-Backbone interact. energy: 3.534
local terms energy: -658.983087
where:
bonds (distance) C4'-P energy: -138.158
bonds (distance) P-C4' energy: -139.364
flat angles C4'-P-C4' energy: -152.778
flat angles P-C4'-P energy: -94.082
tors. eta vs tors. theta energy: -134.601
Dist. restrs. and SS energy: 4.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1943.235602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.235602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.655833 (E_RNA)
where:
Base-Base interactions energy: -1323.939
where: short stacking energy: -567.700
Base-Backbone interact. energy: 2.328
local terms energy: -625.044681
where:
bonds (distance) C4'-P energy: -108.839
bonds (distance) P-C4' energy: -124.243
flat angles C4'-P-C4' energy: -134.888
flat angles P-C4'-P energy: -96.233
tors. eta vs tors. theta energy: -160.843
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: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1837.838295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.838295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.268840 (E_RNA)
where:
Base-Base interactions energy: -1272.343
where: short stacking energy: -525.602
Base-Backbone interact. energy: 7.782
local terms energy: -578.707314
where:
bonds (distance) C4'-P energy: -123.034
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -141.656
flat angles P-C4'-P energy: -86.879
tors. eta vs tors. theta energy: -118.348
Dist. restrs. and SS energy: 5.431 (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: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2769.674902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.674902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.061528 (E_RNA)
where:
Base-Base interactions energy: -1926.747
where: short stacking energy: -804.655
Base-Backbone interact. energy: -3.012
local terms energy: -842.302690
where:
bonds (distance) C4'-P energy: -141.532
bonds (distance) P-C4' energy: -172.611
flat angles C4'-P-C4' energy: -190.309
flat angles P-C4'-P energy: -108.898
tors. eta vs tors. theta energy: -228.953
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: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2672.231720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.231720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.620145 (E_RNA)
where:
Base-Base interactions energy: -1804.010
where: short stacking energy: -776.502
Base-Backbone interact. energy: -2.139
local terms energy: -867.470721
where:
bonds (distance) C4'-P energy: -158.050
bonds (distance) P-C4' energy: -171.988
flat angles C4'-P-C4' energy: -182.281
flat angles P-C4'-P energy: -127.622
tors. eta vs tors. theta energy: -227.531
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: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2528.125847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.125847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.842339 (E_RNA)
where:
Base-Base interactions energy: -1726.649
where: short stacking energy: -740.680
Base-Backbone interact. energy: 0.202
local terms energy: -803.395396
where:
bonds (distance) C4'-P energy: -148.649
bonds (distance) P-C4' energy: -160.733
flat angles C4'-P-C4' energy: -168.385
flat angles P-C4'-P energy: -125.229
tors. eta vs tors. theta energy: -200.398
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: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2474.057311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.057311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.837233 (E_RNA)
where:
Base-Base interactions energy: -1708.563
where: short stacking energy: -732.790
Base-Backbone interact. energy: -3.173
local terms energy: -765.101478
where:
bonds (distance) C4'-P energy: -139.407
bonds (distance) P-C4' energy: -153.726
flat angles C4'-P-C4' energy: -162.330
flat angles P-C4'-P energy: -101.470
tors. eta vs tors. theta energy: -208.169
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: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2391.390088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.390088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.106522 (E_RNA)
where:
Base-Base interactions energy: -1649.623
where: short stacking energy: -707.711
Base-Backbone interact. energy: -0.948
local terms energy: -742.535627
where:
bonds (distance) C4'-P energy: -122.734
bonds (distance) P-C4' energy: -146.902
flat angles C4'-P-C4' energy: -157.711
flat angles P-C4'-P energy: -115.283
tors. eta vs tors. theta energy: -199.907
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2194.297653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.297653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.888635 (E_RNA)
where:
Base-Base interactions energy: -1470.880
where: short stacking energy: -649.272
Base-Backbone interact. energy: 0.474
local terms energy: -726.482045
where:
bonds (distance) C4'-P energy: -145.923
bonds (distance) P-C4' energy: -159.677
flat angles C4'-P-C4' energy: -154.054
flat angles P-C4'-P energy: -93.367
tors. eta vs tors. theta energy: -173.461
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2103.974058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.974058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.069854 (E_RNA)
where:
Base-Base interactions energy: -1448.259
where: short stacking energy: -619.174
Base-Backbone interact. energy: 2.438
local terms energy: -660.248117
where:
bonds (distance) C4'-P energy: -125.217
bonds (distance) P-C4' energy: -138.647
flat angles C4'-P-C4' energy: -137.150
flat angles P-C4'-P energy: -88.866
tors. eta vs tors. theta energy: -170.369
Dist. restrs. and SS energy: 2.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2018.873250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.873250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.036318 (E_RNA)
where:
Base-Base interactions energy: -1353.596
where: short stacking energy: -575.143
Base-Backbone interact. energy: -4.166
local terms energy: -663.274862
where:
bonds (distance) C4'-P energy: -133.239
bonds (distance) P-C4' energy: -142.767
flat angles C4'-P-C4' energy: -145.719
flat angles P-C4'-P energy: -103.234
tors. eta vs tors. theta energy: -138.316
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: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1912.612927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.612927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.339151 (E_RNA)
where:
Base-Base interactions energy: -1300.193
where: short stacking energy: -525.981
Base-Backbone interact. energy: 4.836
local terms energy: -619.981544
where:
bonds (distance) C4'-P energy: -139.079
bonds (distance) P-C4' energy: -119.367
flat angles C4'-P-C4' energy: -132.826
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -134.304
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: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1854.354926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.354926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.164682 (E_RNA)
where:
Base-Base interactions energy: -1250.579
where: short stacking energy: -506.409
Base-Backbone interact. energy: -4.247
local terms energy: -610.338990
where:
bonds (distance) C4'-P energy: -109.155
bonds (distance) P-C4' energy: -120.950
flat angles C4'-P-C4' energy: -143.019
flat angles P-C4'-P energy: -96.543
tors. eta vs tors. theta energy: -140.672
Dist. restrs. and SS energy: 10.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2801.175342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.175342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.058246 (E_RNA)
where:
Base-Base interactions energy: -1923.150
where: short stacking energy: -819.385
Base-Backbone interact. energy: -3.593
local terms energy: -876.314490
where:
bonds (distance) C4'-P energy: -157.819
bonds (distance) P-C4' energy: -177.707
flat angles C4'-P-C4' energy: -175.195
flat angles P-C4'-P energy: -120.775
tors. eta vs tors. theta energy: -244.820
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2679.222903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.222903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.816269 (E_RNA)
where:
Base-Base interactions energy: -1836.794
where: short stacking energy: -812.099
Base-Backbone interact. energy: 6.164
local terms energy: -850.185892
where:
bonds (distance) C4'-P energy: -158.049
bonds (distance) P-C4' energy: -149.559
flat angles C4'-P-C4' energy: -184.255
flat angles P-C4'-P energy: -123.084
tors. eta vs tors. theta energy: -235.239
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: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2567.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.740218 (E_RNA)
where:
Base-Base interactions energy: -1774.830
where: short stacking energy: -741.400
Base-Backbone interact. energy: 3.177
local terms energy: -797.087536
where:
bonds (distance) C4'-P energy: -146.110
bonds (distance) P-C4' energy: -144.064
flat angles C4'-P-C4' energy: -185.154
flat angles P-C4'-P energy: -120.259
tors. eta vs tors. theta energy: -201.501
Dist. restrs. and SS energy: 1.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2467.192445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.192445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.840084 (E_RNA)
where:
Base-Base interactions energy: -1651.194
where: short stacking energy: -698.309
Base-Backbone interact. energy: -3.961
local terms energy: -815.684609
where:
bonds (distance) C4'-P energy: -151.736
bonds (distance) P-C4' energy: -151.771
flat angles C4'-P-C4' energy: -177.862
flat angles P-C4'-P energy: -124.250
tors. eta vs tors. theta energy: -210.066
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: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2379.356858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.356858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.116069 (E_RNA)
where:
Base-Base interactions energy: -1599.755
where: short stacking energy: -680.368
Base-Backbone interact. energy: -1.947
local terms energy: -780.414079
where:
bonds (distance) C4'-P energy: -147.014
bonds (distance) P-C4' energy: -143.433
flat angles C4'-P-C4' energy: -172.557
flat angles P-C4'-P energy: -105.766
tors. eta vs tors. theta energy: -211.643
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2175.853669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.853669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.297535 (E_RNA)
where:
Base-Base interactions energy: -1467.544
where: short stacking energy: -635.518
Base-Backbone interact. energy: 6.530
local terms energy: -717.282664
where:
bonds (distance) C4'-P energy: -134.922
bonds (distance) P-C4' energy: -147.381
flat angles C4'-P-C4' energy: -156.336
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -171.513
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: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2159.899807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.899807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.166055 (E_RNA)
where:
Base-Base interactions energy: -1462.747
where: short stacking energy: -633.789
Base-Backbone interact. energy: 2.748
local terms energy: -702.167247
where:
bonds (distance) C4'-P energy: -131.630
bonds (distance) P-C4' energy: -130.403
flat angles C4'-P-C4' energy: -170.499
flat angles P-C4'-P energy: -95.646
tors. eta vs tors. theta energy: -173.990
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1985.597911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.597911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.068887 (E_RNA)
where:
Base-Base interactions energy: -1373.219
where: short stacking energy: -583.961
Base-Backbone interact. energy: -2.648
local terms energy: -614.202007
where:
bonds (distance) C4'-P energy: -126.449
bonds (distance) P-C4' energy: -125.259
flat angles C4'-P-C4' energy: -138.206
flat angles P-C4'-P energy: -73.394
tors. eta vs tors. theta energy: -150.894
Dist. restrs. and SS energy: 4.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1850.334310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.334310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.804245 (E_RNA)
where:
Base-Base interactions energy: -1257.803
where: short stacking energy: -514.808
Base-Backbone interact. energy: -2.016
local terms energy: -593.985689
where:
bonds (distance) C4'-P energy: -129.782
bonds (distance) P-C4' energy: -127.803
flat angles C4'-P-C4' energy: -132.852
flat angles P-C4'-P energy: -96.187
tors. eta vs tors. theta energy: -107.362
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: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1886.863388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.863388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.081326 (E_RNA)
where:
Base-Base interactions energy: -1292.287
where: short stacking energy: -519.599
Base-Backbone interact. energy: -2.156
local terms energy: -594.637886
where:
bonds (distance) C4'-P energy: -116.313
bonds (distance) P-C4' energy: -114.716
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -142.000
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2820.682639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.682639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.869152 (E_RNA)
where:
Base-Base interactions energy: -1944.830
where: short stacking energy: -851.827
Base-Backbone interact. energy: 2.740
local terms energy: -881.779527
where:
bonds (distance) C4'-P energy: -164.980
bonds (distance) P-C4' energy: -164.504
flat angles C4'-P-C4' energy: -183.950
flat angles P-C4'-P energy: -117.886
tors. eta vs tors. theta energy: -250.460
Dist. restrs. and SS energy: 3.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2675.728223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.728223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.037861 (E_RNA)
where:
Base-Base interactions energy: -1816.952
where: short stacking energy: -810.702
Base-Backbone interact. energy: -4.176
local terms energy: -855.909581
where:
bonds (distance) C4'-P energy: -164.820
bonds (distance) P-C4' energy: -148.600
flat angles C4'-P-C4' energy: -182.946
flat angles P-C4'-P energy: -125.419
tors. eta vs tors. theta energy: -234.124
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2565.086710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.086710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.488757 (E_RNA)
where:
Base-Base interactions energy: -1763.707
where: short stacking energy: -768.622
Base-Backbone interact. energy: -3.140
local terms energy: -799.642231
where:
bonds (distance) C4'-P energy: -156.024
bonds (distance) P-C4' energy: -151.531
flat angles C4'-P-C4' energy: -176.655
flat angles P-C4'-P energy: -114.888
tors. eta vs tors. theta energy: -200.545
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: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2497.465649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.511785 (E_RNA)
where:
Base-Base interactions energy: -1704.765
where: short stacking energy: -730.393
Base-Backbone interact. energy: -2.764
local terms energy: -791.983729
where:
bonds (distance) C4'-P energy: -139.398
bonds (distance) P-C4' energy: -156.593
flat angles C4'-P-C4' energy: -166.133
flat angles P-C4'-P energy: -106.549
tors. eta vs tors. theta energy: -223.311
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2325.482481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.482481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.480955 (E_RNA)
where:
Base-Base interactions energy: -1592.007
where: short stacking energy: -701.902
Base-Backbone interact. energy: -1.445
local terms energy: -734.028941
where:
bonds (distance) C4'-P energy: -147.200
bonds (distance) P-C4' energy: -140.231
flat angles C4'-P-C4' energy: -157.308
flat angles P-C4'-P energy: -101.096
tors. eta vs tors. theta energy: -188.194
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: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2168.300738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.300738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.471792 (E_RNA)
where:
Base-Base interactions energy: -1495.589
where: short stacking energy: -671.314
Base-Backbone interact. energy: 5.033
local terms energy: -679.915719
where:
bonds (distance) C4'-P energy: -121.006
bonds (distance) P-C4' energy: -140.681
flat angles C4'-P-C4' energy: -140.834
flat angles P-C4'-P energy: -96.867
tors. eta vs tors. theta energy: -180.528
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: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2073.363537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.363537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.291027 (E_RNA)
where:
Base-Base interactions energy: -1393.256
where: short stacking energy: -595.216
Base-Backbone interact. energy: 3.728
local terms energy: -687.763206
where:
bonds (distance) C4'-P energy: -155.991
bonds (distance) P-C4' energy: -138.858
flat angles C4'-P-C4' energy: -153.008
flat angles P-C4'-P energy: -83.970
tors. eta vs tors. theta energy: -155.936
Dist. restrs. and SS energy: 3.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2078.065408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.065408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.624120 (E_RNA)
where:
Base-Base interactions energy: -1391.889
where: short stacking energy: -604.178
Base-Backbone interact. energy: -1.802
local terms energy: -687.932850
where:
bonds (distance) C4'-P energy: -149.761
bonds (distance) P-C4' energy: -127.104
flat angles C4'-P-C4' energy: -153.741
flat angles P-C4'-P energy: -92.703
tors. eta vs tors. theta energy: -164.624
Dist. restrs. and SS energy: 3.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1959.262913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.262913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.988329 (E_RNA)
where:
Base-Base interactions energy: -1315.609
where: short stacking energy: -538.426
Base-Backbone interact. energy: 0.784
local terms energy: -646.162539
where:
bonds (distance) C4'-P energy: -137.339
bonds (distance) P-C4' energy: -146.394
flat angles C4'-P-C4' energy: -152.191
flat angles P-C4'-P energy: -69.649
tors. eta vs tors. theta energy: -140.590
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: 10, replica: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1848.411520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.411520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.148104 (E_RNA)
where:
Base-Base interactions energy: -1250.293
where: short stacking energy: -522.339
Base-Backbone interact. energy: -2.231
local terms energy: -604.624414
where:
bonds (distance) C4'-P energy: -125.955
bonds (distance) P-C4' energy: -120.666
flat angles C4'-P-C4' energy: -141.246
flat angles P-C4'-P energy: -82.618
tors. eta vs tors. theta energy: -134.140
Dist. restrs. and SS energy: 8.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2809.579112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.579112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.915332 (E_RNA)
where:
Base-Base interactions energy: -1941.208
where: short stacking energy: -853.138
Base-Backbone interact. energy: -2.180
local terms energy: -868.526738
where:
bonds (distance) C4'-P energy: -169.319
bonds (distance) P-C4' energy: -147.031
flat angles C4'-P-C4' energy: -181.398
flat angles P-C4'-P energy: -123.282
tors. eta vs tors. theta energy: -247.496
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2633.033326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.033326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.307420 (E_RNA)
where:
Base-Base interactions energy: -1781.886
where: short stacking energy: -799.314
Base-Backbone interact. energy: -2.314
local terms energy: -850.108079
where:
bonds (distance) C4'-P energy: -151.195
bonds (distance) P-C4' energy: -171.809
flat angles C4'-P-C4' energy: -173.738
flat angles P-C4'-P energy: -130.655
tors. eta vs tors. theta energy: -222.711
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2562.692034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.692034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.870966 (E_RNA)
where:
Base-Base interactions energy: -1778.595
where: short stacking energy: -765.182
Base-Backbone interact. energy: -0.963
local terms energy: -785.312771
where:
bonds (distance) C4'-P energy: -144.782
bonds (distance) P-C4' energy: -158.748
flat angles C4'-P-C4' energy: -181.745
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -210.676
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2512.085554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.085554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.654950 (E_RNA)
where:
Base-Base interactions energy: -1735.078
where: short stacking energy: -766.654
Base-Backbone interact. energy: -2.640
local terms energy: -776.936618
where:
bonds (distance) C4'-P energy: -137.230
bonds (distance) P-C4' energy: -143.021
flat angles C4'-P-C4' energy: -172.131
flat angles P-C4'-P energy: -101.347
tors. eta vs tors. theta energy: -223.208
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2357.141477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.141477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.609207 (E_RNA)
where:
Base-Base interactions energy: -1616.986
where: short stacking energy: -703.946
Base-Backbone interact. energy: 0.685
local terms energy: -742.308607
where:
bonds (distance) C4'-P energy: -153.172
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -155.480
flat angles P-C4'-P energy: -111.100
tors. eta vs tors. theta energy: -193.189
Dist. restrs. and SS energy: 1.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2132.351326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.351326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.572028 (E_RNA)
where:
Base-Base interactions energy: -1454.551
where: short stacking energy: -612.493
Base-Backbone interact. energy: 2.654
local terms energy: -682.675055
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -129.248
flat angles C4'-P-C4' energy: -152.072
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -180.685
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2037.840562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.840562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.371692 (E_RNA)
where:
Base-Base interactions energy: -1383.708
where: short stacking energy: -582.361
Base-Backbone interact. energy: -2.059
local terms energy: -653.604744
where:
bonds (distance) C4'-P energy: -121.311
bonds (distance) P-C4' energy: -152.229
flat angles C4'-P-C4' energy: -125.830
flat angles P-C4'-P energy: -88.803
tors. eta vs tors. theta energy: -165.432
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2041.632753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.762415 (E_RNA)
where:
Base-Base interactions energy: -1396.941
where: short stacking energy: -587.117
Base-Backbone interact. energy: 1.281
local terms energy: -648.102178
where:
bonds (distance) C4'-P energy: -127.637
bonds (distance) P-C4' energy: -138.305
flat angles C4'-P-C4' energy: -144.105
flat angles P-C4'-P energy: -89.803
tors. eta vs tors. theta energy: -148.253
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: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1933.634023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.634023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.531160 (E_RNA)
where:
Base-Base interactions energy: -1307.685
where: short stacking energy: -542.377
Base-Backbone interact. energy: -3.054
local terms energy: -624.792341
where:
bonds (distance) C4'-P energy: -130.064
bonds (distance) P-C4' energy: -140.011
flat angles C4'-P-C4' energy: -147.384
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: -134.500
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: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1814.744905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.744905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.820942 (E_RNA)
where:
Base-Base interactions energy: -1247.204
where: short stacking energy: -517.882
Base-Backbone interact. energy: 2.310
local terms energy: -581.927190
where:
bonds (distance) C4'-P energy: -116.064
bonds (distance) P-C4' energy: -113.436
flat angles C4'-P-C4' energy: -137.242
flat angles P-C4'-P energy: -84.547
tors. eta vs tors. theta energy: -130.637
Dist. restrs. and SS energy: 12.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2787.853572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.853572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.677563 (E_RNA)
where:
Base-Base interactions energy: -1920.006
where: short stacking energy: -822.617
Base-Backbone interact. energy: 2.515
local terms energy: -871.186712
where:
bonds (distance) C4'-P energy: -171.377
bonds (distance) P-C4' energy: -159.365
flat angles C4'-P-C4' energy: -178.757
flat angles P-C4'-P energy: -121.317
tors. eta vs tors. theta energy: -240.370
Dist. restrs. and SS energy: 0.824 (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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2628.769971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.769971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.729374 (E_RNA)
where:
Base-Base interactions energy: -1760.610
where: short stacking energy: -797.754
Base-Backbone interact. energy: 0.975
local terms energy: -871.094119
where:
bonds (distance) C4'-P energy: -158.843
bonds (distance) P-C4' energy: -157.584
flat angles C4'-P-C4' energy: -184.832
flat angles P-C4'-P energy: -135.947
tors. eta vs tors. theta energy: -233.887
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: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2636.800805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.800805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.154793 (E_RNA)
where:
Base-Base interactions energy: -1804.033
where: short stacking energy: -800.528
Base-Backbone interact. energy: 2.442
local terms energy: -836.564102
where:
bonds (distance) C4'-P energy: -156.102
bonds (distance) P-C4' energy: -151.853
flat angles C4'-P-C4' energy: -178.374
flat angles P-C4'-P energy: -117.645
tors. eta vs tors. theta energy: -232.590
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: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2484.311832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.311832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.824114 (E_RNA)
where:
Base-Base interactions energy: -1730.665
where: short stacking energy: -702.504
Base-Backbone interact. energy: 2.349
local terms energy: -757.508095
where:
bonds (distance) C4'-P energy: -149.969
bonds (distance) P-C4' energy: -149.488
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -113.519
tors. eta vs tors. theta energy: -187.588
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2331.339779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.339779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.297476 (E_RNA)
where:
Base-Base interactions energy: -1578.637
where: short stacking energy: -714.603
Base-Backbone interact. energy: 1.165
local terms energy: -756.825361
where:
bonds (distance) C4'-P energy: -130.944
bonds (distance) P-C4' energy: -155.676
flat angles C4'-P-C4' energy: -158.002
flat angles P-C4'-P energy: -112.638
tors. eta vs tors. theta energy: -199.564
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2155.587560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.587560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.895392 (E_RNA)
where:
Base-Base interactions energy: -1444.929
where: short stacking energy: -641.809
Base-Backbone interact. energy: 0.237
local terms energy: -713.203880
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -156.848
flat angles C4'-P-C4' energy: -157.884
flat angles P-C4'-P energy: -103.797
tors. eta vs tors. theta energy: -164.590
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2109.214118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.214118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.676210 (E_RNA)
where:
Base-Base interactions energy: -1449.810
where: short stacking energy: -605.948
Base-Backbone interact. energy: -0.748
local terms energy: -661.118544
where:
bonds (distance) C4'-P energy: -136.346
bonds (distance) P-C4' energy: -130.048
flat angles C4'-P-C4' energy: -140.936
flat angles P-C4'-P energy: -96.005
tors. eta vs tors. theta energy: -157.784
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: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1978.527442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.527442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.719279 (E_RNA)
where:
Base-Base interactions energy: -1345.111
where: short stacking energy: -555.919
Base-Backbone interact. energy: 1.268
local terms energy: -637.876111
where:
bonds (distance) C4'-P energy: -146.404
bonds (distance) P-C4' energy: -133.926
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -80.247
tors. eta vs tors. theta energy: -137.199
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: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1885.606767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.606767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.340609 (E_RNA)
where:
Base-Base interactions energy: -1271.672
where: short stacking energy: -548.856
Base-Backbone interact. energy: -0.822
local terms energy: -615.846600
where:
bonds (distance) C4'-P energy: -144.885
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -138.259
flat angles P-C4'-P energy: -85.146
tors. eta vs tors. theta energy: -126.737
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: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1874.162431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.162431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.332687 (E_RNA)
where:
Base-Base interactions energy: -1270.552
where: short stacking energy: -538.193
Base-Backbone interact. energy: -0.893
local terms energy: -614.887731
where:
bonds (distance) C4'-P energy: -123.064
bonds (distance) P-C4' energy: -145.552
flat angles C4'-P-C4' energy: -131.954
flat angles P-C4'-P energy: -77.288
tors. eta vs tors. theta energy: -137.030
Dist. restrs. and SS energy: 12.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2796.291542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.291542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.111827 (E_RNA)
where:
Base-Base interactions energy: -1912.652
where: short stacking energy: -817.849
Base-Backbone interact. energy: -5.364
local terms energy: -879.095668
where:
bonds (distance) C4'-P energy: -167.753
bonds (distance) P-C4' energy: -162.582
flat angles C4'-P-C4' energy: -175.342
flat angles P-C4'-P energy: -132.782
tors. eta vs tors. theta energy: -240.637
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: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2639.288421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.288421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.114913 (E_RNA)
where:
Base-Base interactions energy: -1784.233
where: short stacking energy: -787.361
Base-Backbone interact. energy: -3.659
local terms energy: -853.222909
where:
bonds (distance) C4'-P energy: -154.760
bonds (distance) P-C4' energy: -175.159
flat angles C4'-P-C4' energy: -183.978
flat angles P-C4'-P energy: -111.989
tors. eta vs tors. theta energy: -227.336
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2584.764406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.764406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.925208 (E_RNA)
where:
Base-Base interactions energy: -1744.815
where: short stacking energy: -789.215
Base-Backbone interact. energy: -0.137
local terms energy: -841.973540
where:
bonds (distance) C4'-P energy: -153.839
bonds (distance) P-C4' energy: -151.844
flat angles C4'-P-C4' energy: -184.547
flat angles P-C4'-P energy: -121.519
tors. eta vs tors. theta energy: -230.224
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: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2591.325472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.325472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.321866 (E_RNA)
where:
Base-Base interactions energy: -1786.984
where: short stacking energy: -762.375
Base-Backbone interact. energy: 7.064
local terms energy: -813.401756
where:
bonds (distance) C4'-P energy: -141.496
bonds (distance) P-C4' energy: -144.528
flat angles C4'-P-C4' energy: -177.321
flat angles P-C4'-P energy: -113.376
tors. eta vs tors. theta energy: -236.681
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2289.306658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.306658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.009924 (E_RNA)
where:
Base-Base interactions energy: -1581.481
where: short stacking energy: -678.116
Base-Backbone interact. energy: -1.506
local terms energy: -708.022201
where:
bonds (distance) C4'-P energy: -132.722
bonds (distance) P-C4' energy: -124.524
flat angles C4'-P-C4' energy: -156.822
flat angles P-C4'-P energy: -97.617
tors. eta vs tors. theta energy: -196.336
Dist. restrs. and SS energy: 1.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2140.135148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.135148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.088399 (E_RNA)
where:
Base-Base interactions energy: -1418.055
where: short stacking energy: -604.382
Base-Backbone interact. energy: -2.807
local terms energy: -721.227052
where:
bonds (distance) C4'-P energy: -147.478
bonds (distance) P-C4' energy: -146.170
flat angles C4'-P-C4' energy: -147.371
flat angles P-C4'-P energy: -115.511
tors. eta vs tors. theta energy: -164.697
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: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2039.942555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.942555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.371225 (E_RNA)
where:
Base-Base interactions energy: -1369.020
where: short stacking energy: -563.630
Base-Backbone interact. energy: -4.380
local terms energy: -667.971036
where:
bonds (distance) C4'-P energy: -131.377
bonds (distance) P-C4' energy: -142.105
flat angles C4'-P-C4' energy: -136.530
flat angles P-C4'-P energy: -102.451
tors. eta vs tors. theta energy: -155.507
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: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2005.905837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.905837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.527296 (E_RNA)
where:
Base-Base interactions energy: -1354.919
where: short stacking energy: -577.287
Base-Backbone interact. energy: -1.922
local terms energy: -652.686703
where:
bonds (distance) C4'-P energy: -128.786
bonds (distance) P-C4' energy: -131.173
flat angles C4'-P-C4' energy: -138.462
flat angles P-C4'-P energy: -102.426
tors. eta vs tors. theta energy: -151.840
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: 163
Temperature: 1.300000
Total energy: -1905.993925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.993925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.569702 (E_RNA)
where:
Base-Base interactions energy: -1298.062
where: short stacking energy: -520.215
Base-Backbone interact. energy: 0.154
local terms energy: -610.662121
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -143.772
flat angles C4'-P-C4' energy: -142.305
flat angles P-C4'-P energy: -83.661
tors. eta vs tors. theta energy: -138.145
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: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1894.475247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.475247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.508134 (E_RNA)
where:
Base-Base interactions energy: -1265.305
where: short stacking energy: -544.613
Base-Backbone interact. energy: -3.435
local terms energy: -630.767596
where:
bonds (distance) C4'-P energy: -127.118
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -146.964
flat angles P-C4'-P energy: -90.205
tors. eta vs tors. theta energy: -127.904
Dist. restrs. and SS energy: 5.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2807.263683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.263683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.224285 (E_RNA)
where:
Base-Base interactions energy: -1918.630
where: short stacking energy: -841.415
Base-Backbone interact. energy: -1.481
local terms energy: -889.113674
where:
bonds (distance) C4'-P energy: -147.646
bonds (distance) P-C4' energy: -174.867
flat angles C4'-P-C4' energy: -191.521
flat angles P-C4'-P energy: -123.040
tors. eta vs tors. theta energy: -252.038
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2633.051822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.051822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.355807 (E_RNA)
where:
Base-Base interactions energy: -1784.497
where: short stacking energy: -792.752
Base-Backbone interact. energy: -5.102
local terms energy: -845.756917
where:
bonds (distance) C4'-P energy: -153.598
bonds (distance) P-C4' energy: -159.557
flat angles C4'-P-C4' energy: -184.480
flat angles P-C4'-P energy: -112.767
tors. eta vs tors. theta energy: -235.355
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: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2597.334611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.334611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.838505 (E_RNA)
where:
Base-Base interactions energy: -1789.475
where: short stacking energy: -765.937
Base-Backbone interact. energy: -2.869
local terms energy: -806.494513
where:
bonds (distance) C4'-P energy: -137.426
bonds (distance) P-C4' energy: -163.929
flat angles C4'-P-C4' energy: -174.939
flat angles P-C4'-P energy: -111.321
tors. eta vs tors. theta energy: -218.880
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: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2535.821203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.821203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.484556 (E_RNA)
where:
Base-Base interactions energy: -1728.582
where: short stacking energy: -748.982
Base-Backbone interact. energy: 0.390
local terms energy: -810.292843
where:
bonds (distance) C4'-P energy: -130.986
bonds (distance) P-C4' energy: -166.155
flat angles C4'-P-C4' energy: -181.041
flat angles P-C4'-P energy: -99.932
tors. eta vs tors. theta energy: -232.180
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2337.288758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.288758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.365335 (E_RNA)
where:
Base-Base interactions energy: -1600.308
where: short stacking energy: -672.796
Base-Backbone interact. energy: -1.715
local terms energy: -737.342980
where:
bonds (distance) C4'-P energy: -143.799
bonds (distance) P-C4' energy: -140.655
flat angles C4'-P-C4' energy: -148.355
flat angles P-C4'-P energy: -112.331
tors. eta vs tors. theta energy: -192.203
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: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2134.754715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.754715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.583667 (E_RNA)
where:
Base-Base interactions energy: -1422.978
where: short stacking energy: -617.869
Base-Backbone interact. energy: 0.436
local terms energy: -714.042001
where:
bonds (distance) C4'-P energy: -144.266
bonds (distance) P-C4' energy: -137.138
flat angles C4'-P-C4' energy: -145.447
flat angles P-C4'-P energy: -119.549
tors. eta vs tors. theta energy: -167.642
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2102.306829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.306829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.477530 (E_RNA)
where:
Base-Base interactions energy: -1411.446
where: short stacking energy: -612.039
Base-Backbone interact. energy: -2.185
local terms energy: -692.846299
where:
bonds (distance) C4'-P energy: -123.986
bonds (distance) P-C4' energy: -149.422
flat angles C4'-P-C4' energy: -153.309
flat angles P-C4'-P energy: -103.832
tors. eta vs tors. theta energy: -162.298
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: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2024.808779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.808779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.052903 (E_RNA)
where:
Base-Base interactions energy: -1347.587
where: short stacking energy: -558.850
Base-Backbone interact. energy: 2.110
local terms energy: -681.575351
where:
bonds (distance) C4'-P energy: -128.146
bonds (distance) P-C4' energy: -147.909
flat angles C4'-P-C4' energy: -144.458
flat angles P-C4'-P energy: -106.896
tors. eta vs tors. theta energy: -154.167
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: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1925.757642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.757642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.991163 (E_RNA)
where:
Base-Base interactions energy: -1284.508
where: short stacking energy: -518.523
Base-Backbone interact. energy: -2.324
local terms energy: -642.159373
where:
bonds (distance) C4'-P energy: -119.696
bonds (distance) P-C4' energy: -149.011
flat angles C4'-P-C4' energy: -136.590
flat angles P-C4'-P energy: -109.613
tors. eta vs tors. theta energy: -127.249
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1873.187878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.187878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.229496 (E_RNA)
where:
Base-Base interactions energy: -1280.835
where: short stacking energy: -545.619
Base-Backbone interact. energy: -0.660
local terms energy: -595.734475
where:
bonds (distance) C4'-P energy: -113.372
bonds (distance) P-C4' energy: -122.537
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -74.593
tors. eta vs tors. theta energy: -145.622
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2828.182336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.182336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.653773 (E_RNA)
where:
Base-Base interactions energy: -1946.797
where: short stacking energy: -827.110
Base-Backbone interact. energy: -2.206
local terms energy: -880.651359
where:
bonds (distance) C4'-P energy: -151.583
bonds (distance) P-C4' energy: -174.050
flat angles C4'-P-C4' energy: -183.855
flat angles P-C4'-P energy: -132.799
tors. eta vs tors. theta energy: -238.364
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: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2679.240876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.240876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.060366 (E_RNA)
where:
Base-Base interactions energy: -1847.877
where: short stacking energy: -760.774
Base-Backbone interact. energy: -2.017
local terms energy: -831.166075
where:
bonds (distance) C4'-P energy: -151.065
bonds (distance) P-C4' energy: -159.396
flat angles C4'-P-C4' energy: -189.624
flat angles P-C4'-P energy: -113.689
tors. eta vs tors. theta energy: -217.393
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2601.210581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.210581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.117519 (E_RNA)
where:
Base-Base interactions energy: -1802.140
where: short stacking energy: -768.700
Base-Backbone interact. energy: 0.801
local terms energy: -801.778260
where:
bonds (distance) C4'-P energy: -147.959
bonds (distance) P-C4' energy: -162.220
flat angles C4'-P-C4' energy: -169.902
flat angles P-C4'-P energy: -110.605
tors. eta vs tors. theta energy: -211.092
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: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2498.037595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.037595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.762685 (E_RNA)
where:
Base-Base interactions energy: -1690.159
where: short stacking energy: -754.582
Base-Backbone interact. energy: -3.859
local terms energy: -805.744560
where:
bonds (distance) C4'-P energy: -149.981
bonds (distance) P-C4' energy: -147.370
flat angles C4'-P-C4' energy: -178.411
flat angles P-C4'-P energy: -105.709
tors. eta vs tors. theta energy: -224.273
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: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2334.108280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.108280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.717590 (E_RNA)
where:
Base-Base interactions energy: -1573.134
where: short stacking energy: -661.196
Base-Backbone interact. energy: -2.337
local terms energy: -760.246657
where:
bonds (distance) C4'-P energy: -140.926
bonds (distance) P-C4' energy: -155.944
flat angles C4'-P-C4' energy: -164.573
flat angles P-C4'-P energy: -112.332
tors. eta vs tors. theta energy: -186.472
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: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2160.181530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.181530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.802929 (E_RNA)
where:
Base-Base interactions energy: -1455.409
where: short stacking energy: -629.136
Base-Backbone interact. energy: -4.149
local terms energy: -704.244337
where:
bonds (distance) C4'-P energy: -124.174
bonds (distance) P-C4' energy: -131.748
flat angles C4'-P-C4' energy: -151.362
flat angles P-C4'-P energy: -114.760
tors. eta vs tors. theta energy: -182.201
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2085.055418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.055418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.662819 (E_RNA)
where:
Base-Base interactions energy: -1376.885
where: short stacking energy: -599.696
Base-Backbone interact. energy: 3.736
local terms energy: -714.514026
where:
bonds (distance) C4'-P energy: -138.627
bonds (distance) P-C4' energy: -143.198
flat angles C4'-P-C4' energy: -165.965
flat angles P-C4'-P energy: -103.674
tors. eta vs tors. theta energy: -163.049
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: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2004.051221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.051221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.379236 (E_RNA)
where:
Base-Base interactions energy: -1376.309
where: short stacking energy: -596.212
Base-Backbone interact. energy: -2.611
local terms energy: -627.458647
where:
bonds (distance) C4'-P energy: -121.332
bonds (distance) P-C4' energy: -120.411
flat angles C4'-P-C4' energy: -153.978
flat angles P-C4'-P energy: -72.542
tors. eta vs tors. theta energy: -159.196
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: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1931.964707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.964707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.197699 (E_RNA)
where:
Base-Base interactions energy: -1300.091
where: short stacking energy: -531.542
Base-Backbone interact. energy: -1.689
local terms energy: -633.417831
where:
bonds (distance) C4'-P energy: -124.123
bonds (distance) P-C4' energy: -149.341
flat angles C4'-P-C4' energy: -143.604
flat angles P-C4'-P energy: -75.684
tors. eta vs tors. theta energy: -140.666
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: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1931.357891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.357891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.466189 (E_RNA)
where:
Base-Base interactions energy: -1303.615
where: short stacking energy: -560.177
Base-Backbone interact. energy: -0.402
local terms energy: -630.449092
where:
bonds (distance) C4'-P energy: -138.048
bonds (distance) P-C4' energy: -119.747
flat angles C4'-P-C4' energy: -141.886
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -142.800
Dist. restrs. and SS energy: 3.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2761.359841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.359841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.105803 (E_RNA)
where:
Base-Base interactions energy: -1894.943
where: short stacking energy: -795.844
Base-Backbone interact. energy: -1.508
local terms energy: -866.654380
where:
bonds (distance) C4'-P energy: -158.214
bonds (distance) P-C4' energy: -165.651
flat angles C4'-P-C4' energy: -193.503
flat angles P-C4'-P energy: -124.221
tors. eta vs tors. theta energy: -225.066
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: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2675.266839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.266839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.660332 (E_RNA)
where:
Base-Base interactions energy: -1828.280
where: short stacking energy: -775.035
Base-Backbone interact. energy: 1.433
local terms energy: -849.813833
where:
bonds (distance) C4'-P energy: -160.445
bonds (distance) P-C4' energy: -145.849
flat angles C4'-P-C4' energy: -176.029
flat angles P-C4'-P energy: -130.991
tors. eta vs tors. theta energy: -236.500
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2551.346008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.346008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.531332 (E_RNA)
where:
Base-Base interactions energy: -1758.593
where: short stacking energy: -779.444
Base-Backbone interact. energy: 1.730
local terms energy: -796.668042
where:
bonds (distance) C4'-P energy: -136.368
bonds (distance) P-C4' energy: -154.898
flat angles C4'-P-C4' energy: -182.927
flat angles P-C4'-P energy: -106.081
tors. eta vs tors. theta energy: -216.394
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: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2470.827149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.827149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.659893 (E_RNA)
where:
Base-Base interactions energy: -1689.870
where: short stacking energy: -720.010
Base-Backbone interact. energy: -5.590
local terms energy: -777.200195
where:
bonds (distance) C4'-P energy: -143.801
bonds (distance) P-C4' energy: -142.369
flat angles C4'-P-C4' energy: -164.110
flat angles P-C4'-P energy: -113.412
tors. eta vs tors. theta energy: -213.508
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: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2353.932875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.932875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.946608 (E_RNA)
where:
Base-Base interactions energy: -1621.664
where: short stacking energy: -714.009
Base-Backbone interact. energy: 3.849
local terms energy: -737.132351
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -147.173
flat angles C4'-P-C4' energy: -154.792
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -195.630
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: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2199.845835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.845835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.293410 (E_RNA)
where:
Base-Base interactions energy: -1440.336
where: short stacking energy: -632.284
Base-Backbone interact. energy: -2.733
local terms energy: -759.224664
where:
bonds (distance) C4'-P energy: -150.874
bonds (distance) P-C4' energy: -157.090
flat angles C4'-P-C4' energy: -159.357
flat angles P-C4'-P energy: -117.342
tors. eta vs tors. theta energy: -174.562
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: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2060.309350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.309350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.090462 (E_RNA)
where:
Base-Base interactions energy: -1368.200
where: short stacking energy: -555.749
Base-Backbone interact. energy: 1.443
local terms energy: -695.333950
where:
bonds (distance) C4'-P energy: -138.997
bonds (distance) P-C4' energy: -145.177
flat angles C4'-P-C4' energy: -158.133
flat angles P-C4'-P energy: -104.847
tors. eta vs tors. theta energy: -148.179
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2041.986800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.986800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.542547 (E_RNA)
where:
Base-Base interactions energy: -1399.329
where: short stacking energy: -592.613
Base-Backbone interact. energy: -2.390
local terms energy: -643.822894
where:
bonds (distance) C4'-P energy: -141.135
bonds (distance) P-C4' energy: -124.032
flat angles C4'-P-C4' energy: -135.606
flat angles P-C4'-P energy: -83.869
tors. eta vs tors. theta energy: -159.180
Dist. restrs. and SS energy: 3.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1964.010439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.010439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.588752 (E_RNA)
where:
Base-Base interactions energy: -1354.998
where: short stacking energy: -563.942
Base-Backbone interact. energy: 1.017
local terms energy: -614.607317
where:
bonds (distance) C4'-P energy: -117.913
bonds (distance) P-C4' energy: -137.196
flat angles C4'-P-C4' energy: -142.440
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -139.365
Dist. restrs. and SS energy: 4.578 (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: 166
Temperature: 1.350000
Total energy: -1905.191757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.191757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.835187 (E_RNA)
where:
Base-Base interactions energy: -1273.770
where: short stacking energy: -543.970
Base-Backbone interact. energy: -1.224
local terms energy: -632.840921
where:
bonds (distance) C4'-P energy: -128.011
bonds (distance) P-C4' energy: -131.686
flat angles C4'-P-C4' energy: -134.269
flat angles P-C4'-P energy: -94.920
tors. eta vs tors. theta energy: -143.956
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: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2820.215013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.215013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.533114 (E_RNA)
where:
Base-Base interactions energy: -1961.550
where: short stacking energy: -827.968
Base-Backbone interact. energy: -4.100
local terms energy: -855.883333
where:
bonds (distance) C4'-P energy: -157.600
bonds (distance) P-C4' energy: -162.492
flat angles C4'-P-C4' energy: -175.755
flat angles P-C4'-P energy: -116.349
tors. eta vs tors. theta energy: -243.688
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: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2642.947896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.947896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.701384 (E_RNA)
where:
Base-Base interactions energy: -1797.044
where: short stacking energy: -776.856
Base-Backbone interact. energy: -3.675
local terms energy: -843.982795
where:
bonds (distance) C4'-P energy: -150.371
bonds (distance) P-C4' energy: -162.105
flat angles C4'-P-C4' energy: -177.903
flat angles P-C4'-P energy: -125.142
tors. eta vs tors. theta energy: -228.462
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: 167
Temperature: 1.000000
Total energy: -2520.625544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.625544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.473597 (E_RNA)
where:
Base-Base interactions energy: -1686.281
where: short stacking energy: -758.611
Base-Backbone interact. energy: -2.624
local terms energy: -833.568612
where:
bonds (distance) C4'-P energy: -151.439
bonds (distance) P-C4' energy: -159.769
flat angles C4'-P-C4' energy: -175.093
flat angles P-C4'-P energy: -130.231
tors. eta vs tors. theta energy: -217.036
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: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2468.734556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.734556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.656179 (E_RNA)
where:
Base-Base interactions energy: -1686.096
where: short stacking energy: -739.555
Base-Backbone interact. energy: -1.356
local terms energy: -783.204470
where:
bonds (distance) C4'-P energy: -142.832
bonds (distance) P-C4' energy: -139.947
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -103.598
tors. eta vs tors. theta energy: -217.075
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: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2352.541380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.541380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.333298 (E_RNA)
where:
Base-Base interactions energy: -1608.532
where: short stacking energy: -684.737
Base-Backbone interact. energy: 2.258
local terms energy: -748.059588
where:
bonds (distance) C4'-P energy: -120.746
bonds (distance) P-C4' energy: -151.675
flat angles C4'-P-C4' energy: -175.547
flat angles P-C4'-P energy: -109.752
tors. eta vs tors. theta energy: -190.339
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: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2098.690819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.690819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.299756 (E_RNA)
where:
Base-Base interactions energy: -1368.443
where: short stacking energy: -574.293
Base-Backbone interact. energy: -3.170
local terms energy: -729.686445
where:
bonds (distance) C4'-P energy: -134.029
bonds (distance) P-C4' energy: -167.424
flat angles C4'-P-C4' energy: -164.505
flat angles P-C4'-P energy: -106.054
tors. eta vs tors. theta energy: -157.674
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: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2052.477036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.477036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.875176 (E_RNA)
where:
Base-Base interactions energy: -1417.638
where: short stacking energy: -626.348
Base-Backbone interact. energy: -1.688
local terms energy: -636.549106
where:
bonds (distance) C4'-P energy: -115.074
bonds (distance) P-C4' energy: -118.850
flat angles C4'-P-C4' energy: -139.687
flat angles P-C4'-P energy: -102.570
tors. eta vs tors. theta energy: -160.367
Dist. restrs. and SS energy: 3.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2037.202948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.202948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.240061 (E_RNA)
where:
Base-Base interactions energy: -1382.474
where: short stacking energy: -591.680
Base-Backbone interact. energy: 1.935
local terms energy: -657.700231
where:
bonds (distance) C4'-P energy: -118.314
bonds (distance) P-C4' energy: -132.134
flat angles C4'-P-C4' energy: -148.115
flat angles P-C4'-P energy: -91.967
tors. eta vs tors. theta energy: -167.171
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1987.881637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.881637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.647509 (E_RNA)
where:
Base-Base interactions energy: -1372.941
where: short stacking energy: -561.842
Base-Backbone interact. energy: 0.302
local terms energy: -620.008447
where:
bonds (distance) C4'-P energy: -126.791
bonds (distance) P-C4' energy: -119.453
flat angles C4'-P-C4' energy: -130.409
flat angles P-C4'-P energy: -94.719
tors. eta vs tors. theta energy: -148.636
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: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1916.252050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.252050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.767672 (E_RNA)
where:
Base-Base interactions energy: -1291.542
where: short stacking energy: -535.708
Base-Backbone interact. energy: 5.499
local terms energy: -636.724441
where:
bonds (distance) C4'-P energy: -141.166
bonds (distance) P-C4' energy: -138.783
flat angles C4'-P-C4' energy: -131.740
flat angles P-C4'-P energy: -84.696
tors. eta vs tors. theta energy: -140.339
Dist. restrs. and SS energy: 6.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2797.852993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.852993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.622877 (E_RNA)
where:
Base-Base interactions energy: -1932.820
where: short stacking energy: -814.687
Base-Backbone interact. energy: 1.764
local terms energy: -867.566496
where:
bonds (distance) C4'-P energy: -173.561
bonds (distance) P-C4' energy: -148.747
flat angles C4'-P-C4' energy: -177.826
flat angles P-C4'-P energy: -122.546
tors. eta vs tors. theta energy: -244.887
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2669.507528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.507528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.076069 (E_RNA)
where:
Base-Base interactions energy: -1856.508
where: short stacking energy: -750.491
Base-Backbone interact. energy: 1.314
local terms energy: -815.881981
where:
bonds (distance) C4'-P energy: -139.508
bonds (distance) P-C4' energy: -152.417
flat angles C4'-P-C4' energy: -186.197
flat angles P-C4'-P energy: -116.323
tors. eta vs tors. theta energy: -221.436
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2541.277028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.277028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.914436 (E_RNA)
where:
Base-Base interactions energy: -1723.921
where: short stacking energy: -775.954
Base-Backbone interact. energy: -1.819
local terms energy: -819.174818
where:
bonds (distance) C4'-P energy: -150.718
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -183.794
flat angles P-C4'-P energy: -120.347
tors. eta vs tors. theta energy: -223.642
Dist. restrs. and SS energy: 3.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2492.590408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.590408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.542217 (E_RNA)
where:
Base-Base interactions energy: -1722.344
where: short stacking energy: -734.034
Base-Backbone interact. energy: -2.970
local terms energy: -769.228174
where:
bonds (distance) C4'-P energy: -151.390
bonds (distance) P-C4' energy: -141.720
flat angles C4'-P-C4' energy: -167.555
flat angles P-C4'-P energy: -101.718
tors. eta vs tors. theta energy: -206.845
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2351.681045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.681045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.072147 (E_RNA)
where:
Base-Base interactions energy: -1609.827
where: short stacking energy: -695.157
Base-Backbone interact. energy: -0.263
local terms energy: -742.981962
where:
bonds (distance) C4'-P energy: -143.007
bonds (distance) P-C4' energy: -149.488
flat angles C4'-P-C4' energy: -163.946
flat angles P-C4'-P energy: -100.177
tors. eta vs tors. theta energy: -186.364
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: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2143.093911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.093911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.813340 (E_RNA)
where:
Base-Base interactions energy: -1454.046
where: short stacking energy: -599.013
Base-Backbone interact. energy: -2.198
local terms energy: -688.569114
where:
bonds (distance) C4'-P energy: -124.352
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -166.172
flat angles P-C4'-P energy: -112.753
tors. eta vs tors. theta energy: -152.570
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2043.229444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.229444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.590224 (E_RNA)
where:
Base-Base interactions energy: -1403.074
where: short stacking energy: -619.130
Base-Backbone interact. energy: 0.742
local terms energy: -643.258634
where:
bonds (distance) C4'-P energy: -131.363
bonds (distance) P-C4' energy: -126.856
flat angles C4'-P-C4' energy: -134.409
flat angles P-C4'-P energy: -93.584
tors. eta vs tors. theta energy: -157.046
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: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2000.019268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.019268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.231632 (E_RNA)
where:
Base-Base interactions energy: -1341.097
where: short stacking energy: -584.872
Base-Backbone interact. energy: -1.999
local terms energy: -660.135619
where:
bonds (distance) C4'-P energy: -132.718
bonds (distance) P-C4' energy: -142.480
flat angles C4'-P-C4' energy: -144.100
flat angles P-C4'-P energy: -89.638
tors. eta vs tors. theta energy: -151.199
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: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1955.703736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.703736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.790637 (E_RNA)
where:
Base-Base interactions energy: -1312.376
where: short stacking energy: -533.853
Base-Backbone interact. energy: 1.546
local terms energy: -646.960271
where:
bonds (distance) C4'-P energy: -139.185
bonds (distance) P-C4' energy: -133.972
flat angles C4'-P-C4' energy: -144.880
flat angles P-C4'-P energy: -98.190
tors. eta vs tors. theta energy: -130.734
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: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1862.830780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.830780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.943872 (E_RNA)
where:
Base-Base interactions energy: -1274.188
where: short stacking energy: -521.373
Base-Backbone interact. energy: 1.233
local terms energy: -593.988669
where:
bonds (distance) C4'-P energy: -129.863
bonds (distance) P-C4' energy: -117.207
flat angles C4'-P-C4' energy: -148.492
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -116.790
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: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2822.445612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.445612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.335512 (E_RNA)
where:
Base-Base interactions energy: -1942.227
where: short stacking energy: -832.262
Base-Backbone interact. energy: -4.325
local terms energy: -877.783816
where:
bonds (distance) C4'-P energy: -165.773
bonds (distance) P-C4' energy: -161.120
flat angles C4'-P-C4' energy: -174.652
flat angles P-C4'-P energy: -125.670
tors. eta vs tors. theta energy: -250.568
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2704.999675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.999675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.403512 (E_RNA)
where:
Base-Base interactions energy: -1862.093
where: short stacking energy: -804.665
Base-Backbone interact. energy: -2.471
local terms energy: -843.840057
where:
bonds (distance) C4'-P energy: -145.229
bonds (distance) P-C4' energy: -167.920
flat angles C4'-P-C4' energy: -173.168
flat angles P-C4'-P energy: -121.716
tors. eta vs tors. theta energy: -235.807
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2507.079486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.079486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.177385 (E_RNA)
where:
Base-Base interactions energy: -1719.690
where: short stacking energy: -748.169
Base-Backbone interact. energy: -7.302
local terms energy: -782.185108
where:
bonds (distance) C4'-P energy: -130.011
bonds (distance) P-C4' energy: -144.641
flat angles C4'-P-C4' energy: -176.554
flat angles P-C4'-P energy: -119.369
tors. eta vs tors. theta energy: -211.609
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: 169
Temperature: 1.050000
Total energy: -2441.313044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.313044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.182608 (E_RNA)
where:
Base-Base interactions energy: -1673.859
where: short stacking energy: -728.073
Base-Backbone interact. energy: 3.632
local terms energy: -772.955574
where:
bonds (distance) C4'-P energy: -140.672
bonds (distance) P-C4' energy: -160.410
flat angles C4'-P-C4' energy: -155.651
flat angles P-C4'-P energy: -115.594
tors. eta vs tors. theta energy: -200.628
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2299.615918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.615918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.927421 (E_RNA)
where:
Base-Base interactions energy: -1556.891
where: short stacking energy: -649.848
Base-Backbone interact. energy: 5.000
local terms energy: -749.036535
where:
bonds (distance) C4'-P energy: -136.306
bonds (distance) P-C4' energy: -161.287
flat angles C4'-P-C4' energy: -151.718
flat angles P-C4'-P energy: -121.302
tors. eta vs tors. theta energy: -178.424
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: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2195.191328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.191328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.449941 (E_RNA)
where:
Base-Base interactions energy: -1460.869
where: short stacking energy: -622.444
Base-Backbone interact. energy: -3.549
local terms energy: -732.032287
where:
bonds (distance) C4'-P energy: -159.905
bonds (distance) P-C4' energy: -141.744
flat angles C4'-P-C4' energy: -153.584
flat angles P-C4'-P energy: -101.781
tors. eta vs tors. theta energy: -175.019
Dist. restrs. and SS energy: 1.259 (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: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2087.814124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.814124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.391248 (E_RNA)
where:
Base-Base interactions energy: -1407.731
where: short stacking energy: -622.046
Base-Backbone interact. energy: -5.521
local terms energy: -677.139783
where:
bonds (distance) C4'-P energy: -147.089
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -144.599
flat angles P-C4'-P energy: -85.456
tors. eta vs tors. theta energy: -162.559
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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -2004.624024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.624024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.416792 (E_RNA)
where:
Base-Base interactions energy: -1365.486
where: short stacking energy: -592.932
Base-Backbone interact. energy: -2.516
local terms energy: -639.415483
where:
bonds (distance) C4'-P energy: -138.641
bonds (distance) P-C4' energy: -124.063
flat angles C4'-P-C4' energy: -145.328
flat angles P-C4'-P energy: -82.169
tors. eta vs tors. theta energy: -149.214
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1933.421159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.421159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.498220 (E_RNA)
where:
Base-Base interactions energy: -1308.306
where: short stacking energy: -559.345
Base-Backbone interact. energy: 5.265
local terms energy: -633.456888
where:
bonds (distance) C4'-P energy: -126.201
bonds (distance) P-C4' energy: -106.330
flat angles C4'-P-C4' energy: -158.690
flat angles P-C4'-P energy: -91.737
tors. eta vs tors. theta energy: -150.499
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: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1868.339698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.717227 (E_RNA)
where:
Base-Base interactions energy: -1259.552
where: short stacking energy: -526.026
Base-Backbone interact. energy: 5.502
local terms energy: -617.666456
where:
bonds (distance) C4'-P energy: -117.091
bonds (distance) P-C4' energy: -136.314
flat angles C4'-P-C4' energy: -142.512
flat angles P-C4'-P energy: -85.419
tors. eta vs tors. theta energy: -136.330
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: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2802.067482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.067482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.864097 (E_RNA)
where:
Base-Base interactions energy: -1943.798
where: short stacking energy: -817.571
Base-Backbone interact. energy: 2.959
local terms energy: -862.025675
where:
bonds (distance) C4'-P energy: -160.609
bonds (distance) P-C4' energy: -170.265
flat angles C4'-P-C4' energy: -183.217
flat angles P-C4'-P energy: -110.999
tors. eta vs tors. theta energy: -236.936
Dist. restrs. and SS energy: 0.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2725.459296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.459296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.546836 (E_RNA)
where:
Base-Base interactions energy: -1862.723
where: short stacking energy: -808.902
Base-Backbone interact. energy: -0.065
local terms energy: -864.759044
where:
bonds (distance) C4'-P energy: -164.512
bonds (distance) P-C4' energy: -153.500
flat angles C4'-P-C4' energy: -189.764
flat angles P-C4'-P energy: -122.141
tors. eta vs tors. theta energy: -234.843
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: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2533.160276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.160276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.265079 (E_RNA)
where:
Base-Base interactions energy: -1748.680
where: short stacking energy: -725.697
Base-Backbone interact. energy: -1.617
local terms energy: -786.967992
where:
bonds (distance) C4'-P energy: -152.333
bonds (distance) P-C4' energy: -147.990
flat angles C4'-P-C4' energy: -159.746
flat angles P-C4'-P energy: -109.844
tors. eta vs tors. theta energy: -217.055
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: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2513.110811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.110811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.724941 (E_RNA)
where:
Base-Base interactions energy: -1724.681
where: short stacking energy: -740.452
Base-Backbone interact. energy: 2.491
local terms energy: -792.534539
where:
bonds (distance) C4'-P energy: -148.672
bonds (distance) P-C4' energy: -157.318
flat angles C4'-P-C4' energy: -167.536
flat angles P-C4'-P energy: -116.032
tors. eta vs tors. theta energy: -202.976
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: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2336.504390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.504390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.662973 (E_RNA)
where:
Base-Base interactions energy: -1591.433
where: short stacking energy: -670.549
Base-Backbone interact. energy: 1.080
local terms energy: -748.310471
where:
bonds (distance) C4'-P energy: -155.768
bonds (distance) P-C4' energy: -143.622
flat angles C4'-P-C4' energy: -162.345
flat angles P-C4'-P energy: -113.123
tors. eta vs tors. theta energy: -173.452
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2142.502768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.502768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.093319 (E_RNA)
where:
Base-Base interactions energy: -1475.519
where: short stacking energy: -623.831
Base-Backbone interact. energy: 2.754
local terms energy: -671.327902
where:
bonds (distance) C4'-P energy: -147.808
bonds (distance) P-C4' energy: -117.501
flat angles C4'-P-C4' energy: -163.715
flat angles P-C4'-P energy: -89.438
tors. eta vs tors. theta energy: -152.866
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: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2097.975860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.975860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.014557 (E_RNA)
where:
Base-Base interactions energy: -1429.494
where: short stacking energy: -595.994
Base-Backbone interact. energy: -1.991
local terms energy: -669.529825
where:
bonds (distance) C4'-P energy: -134.595
bonds (distance) P-C4' energy: -141.194
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -95.239
tors. eta vs tors. theta energy: -151.173
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -2008.888074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.888074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.009629 (E_RNA)
where:
Base-Base interactions energy: -1350.849
where: short stacking energy: -593.508
Base-Backbone interact. energy: -2.628
local terms energy: -658.532954
where:
bonds (distance) C4'-P energy: -144.426
bonds (distance) P-C4' energy: -140.200
flat angles C4'-P-C4' energy: -138.202
flat angles P-C4'-P energy: -82.692
tors. eta vs tors. theta energy: -153.013
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: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1970.439825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.439825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.405794 (E_RNA)
where:
Base-Base interactions energy: -1338.481
where: short stacking energy: -549.182
Base-Backbone interact. energy: -2.041
local terms energy: -633.884320
where:
bonds (distance) C4'-P energy: -127.959
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -151.260
flat angles P-C4'-P energy: -93.660
tors. eta vs tors. theta energy: -139.663
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: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1837.423228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.423228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.052078 (E_RNA)
where:
Base-Base interactions energy: -1232.056
where: short stacking energy: -529.515
Base-Backbone interact. energy: -2.711
local terms energy: -606.284370
where:
bonds (distance) C4'-P energy: -137.152
bonds (distance) P-C4' energy: -133.107
flat angles C4'-P-C4' energy: -114.453
flat angles P-C4'-P energy: -80.058
tors. eta vs tors. theta energy: -141.515
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: 171
Temperature: 0.900000
Total energy: -2794.227100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.227100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.872710 (E_RNA)
where:
Base-Base interactions energy: -1933.809
where: short stacking energy: -789.512
Base-Backbone interact. energy: 0.175
local terms energy: -863.237778
where:
bonds (distance) C4'-P energy: -160.886
bonds (distance) P-C4' energy: -158.113
flat angles C4'-P-C4' energy: -192.087
flat angles P-C4'-P energy: -127.518
tors. eta vs tors. theta energy: -224.633
Dist. restrs. and SS energy: 2.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2733.813956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.813956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.045293 (E_RNA)
where:
Base-Base interactions energy: -1880.215
where: short stacking energy: -786.973
Base-Backbone interact. energy: -1.447
local terms energy: -853.383942
where:
bonds (distance) C4'-P energy: -140.086
bonds (distance) P-C4' energy: -171.562
flat angles C4'-P-C4' energy: -184.784
flat angles P-C4'-P energy: -124.058
tors. eta vs tors. theta energy: -232.894
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2577.294128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.294128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.691127 (E_RNA)
where:
Base-Base interactions energy: -1756.320
where: short stacking energy: -724.454
Base-Backbone interact. energy: -4.533
local terms energy: -817.837379
where:
bonds (distance) C4'-P energy: -141.339
bonds (distance) P-C4' energy: -158.973
flat angles C4'-P-C4' energy: -180.015
flat angles P-C4'-P energy: -121.279
tors. eta vs tors. theta energy: -216.232
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2464.489647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.489647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.652232 (E_RNA)
where:
Base-Base interactions energy: -1649.653
where: short stacking energy: -712.841
Base-Backbone interact. energy: 4.175
local terms energy: -822.174025
where:
bonds (distance) C4'-P energy: -150.378
bonds (distance) P-C4' energy: -175.945
flat angles C4'-P-C4' energy: -177.503
flat angles P-C4'-P energy: -113.730
tors. eta vs tors. theta energy: -204.618
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2323.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.054579 (E_RNA)
where:
Base-Base interactions energy: -1579.304
where: short stacking energy: -678.009
Base-Backbone interact. energy: 1.332
local terms energy: -747.082763
where:
bonds (distance) C4'-P energy: -142.801
bonds (distance) P-C4' energy: -133.186
flat angles C4'-P-C4' energy: -170.977
flat angles P-C4'-P energy: -109.183
tors. eta vs tors. theta energy: -190.936
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: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2142.049044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.049044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.002422 (E_RNA)
where:
Base-Base interactions energy: -1451.131
where: short stacking energy: -613.863
Base-Backbone interact. energy: -3.236
local terms energy: -689.635429
where:
bonds (distance) C4'-P energy: -131.237
bonds (distance) P-C4' energy: -133.593
flat angles C4'-P-C4' energy: -154.953
flat angles P-C4'-P energy: -105.837
tors. eta vs tors. theta energy: -164.015
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: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2063.107080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.107080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.904625 (E_RNA)
where:
Base-Base interactions energy: -1362.369
where: short stacking energy: -552.011
Base-Backbone interact. energy: -2.398
local terms energy: -700.137525
where:
bonds (distance) C4'-P energy: -143.593
bonds (distance) P-C4' energy: -146.431
flat angles C4'-P-C4' energy: -158.578
flat angles P-C4'-P energy: -104.612
tors. eta vs tors. theta energy: -146.924
Dist. restrs. and SS energy: 1.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2005.915289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.915289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.275875 (E_RNA)
where:
Base-Base interactions energy: -1361.183
where: short stacking energy: -581.478
Base-Backbone interact. energy: 0.992
local terms energy: -647.084479
where:
bonds (distance) C4'-P energy: -120.317
bonds (distance) P-C4' energy: -122.514
flat angles C4'-P-C4' energy: -169.871
flat angles P-C4'-P energy: -82.861
tors. eta vs tors. theta energy: -151.521
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1991.552153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.552153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.306180 (E_RNA)
where:
Base-Base interactions energy: -1365.912
where: short stacking energy: -568.981
Base-Backbone interact. energy: -2.295
local terms energy: -628.099206
where:
bonds (distance) C4'-P energy: -123.379
bonds (distance) P-C4' energy: -129.032
flat angles C4'-P-C4' energy: -140.191
flat angles P-C4'-P energy: -96.209
tors. eta vs tors. theta energy: -139.287
Dist. restrs. and SS energy: 4.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1902.450662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.450662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.644491 (E_RNA)
where:
Base-Base interactions energy: -1266.123
where: short stacking energy: -539.745
Base-Backbone interact. energy: 4.881
local terms energy: -646.402234
where:
bonds (distance) C4'-P energy: -134.290
bonds (distance) P-C4' energy: -139.105
flat angles C4'-P-C4' energy: -140.430
flat angles P-C4'-P energy: -91.973
tors. eta vs tors. theta energy: -140.604
Dist. restrs. and SS energy: 5.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2827.332963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.332963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.853425 (E_RNA)
where:
Base-Base interactions energy: -1935.183
where: short stacking energy: -774.913
Base-Backbone interact. energy: -4.467
local terms energy: -890.203405
where:
bonds (distance) C4'-P energy: -171.776
bonds (distance) P-C4' energy: -172.134
flat angles C4'-P-C4' energy: -180.776
flat angles P-C4'-P energy: -129.358
tors. eta vs tors. theta energy: -236.160
Dist. restrs. and SS energy: 2.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2734.335789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.335789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.082039 (E_RNA)
where:
Base-Base interactions energy: -1876.787
where: short stacking energy: -777.948
Base-Backbone interact. energy: -5.943
local terms energy: -853.352896
where:
bonds (distance) C4'-P energy: -159.744
bonds (distance) P-C4' energy: -159.214
flat angles C4'-P-C4' energy: -178.860
flat angles P-C4'-P energy: -127.738
tors. eta vs tors. theta energy: -227.796
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: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2608.714572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.714572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.221380 (E_RNA)
where:
Base-Base interactions energy: -1805.517
where: short stacking energy: -770.820
Base-Backbone interact. energy: -1.655
local terms energy: -803.049610
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -153.851
flat angles C4'-P-C4' energy: -187.540
flat angles P-C4'-P energy: -112.606
tors. eta vs tors. theta energy: -214.932
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: 4, replica: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2437.905406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.905406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.118849 (E_RNA)
where:
Base-Base interactions energy: -1649.160
where: short stacking energy: -706.974
Base-Backbone interact. energy: 4.926
local terms energy: -795.885401
where:
bonds (distance) C4'-P energy: -149.834
bonds (distance) P-C4' energy: -141.445
flat angles C4'-P-C4' energy: -176.115
flat angles P-C4'-P energy: -111.989
tors. eta vs tors. theta energy: -216.502
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: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2345.056108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.056108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.849469 (E_RNA)
where:
Base-Base interactions energy: -1566.870
where: short stacking energy: -676.203
Base-Backbone interact. energy: 0.905
local terms energy: -780.884760
where:
bonds (distance) C4'-P energy: -157.677
bonds (distance) P-C4' energy: -147.956
flat angles C4'-P-C4' energy: -171.228
flat angles P-C4'-P energy: -106.174
tors. eta vs tors. theta energy: -197.850
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: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2159.327990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.327990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.480896 (E_RNA)
where:
Base-Base interactions energy: -1462.305
where: short stacking energy: -615.393
Base-Backbone interact. energy: -1.245
local terms energy: -697.931033
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -155.375
flat angles C4'-P-C4' energy: -151.121
flat angles P-C4'-P energy: -90.973
tors. eta vs tors. theta energy: -166.601
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: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2072.102262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.102262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.905544 (E_RNA)
where:
Base-Base interactions energy: -1363.133
where: short stacking energy: -589.475
Base-Backbone interact. energy: 1.261
local terms energy: -712.033508
where:
bonds (distance) C4'-P energy: -143.284
bonds (distance) P-C4' energy: -142.975
flat angles C4'-P-C4' energy: -162.766
flat angles P-C4'-P energy: -99.145
tors. eta vs tors. theta energy: -163.863
Dist. restrs. and SS energy: 1.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2028.710335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.710335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.589403 (E_RNA)
where:
Base-Base interactions energy: -1374.525
where: short stacking energy: -566.967
Base-Backbone interact. energy: -3.925
local terms energy: -652.138999
where:
bonds (distance) C4'-P energy: -146.216
bonds (distance) P-C4' energy: -131.584
flat angles C4'-P-C4' energy: -137.835
flat angles P-C4'-P energy: -93.540
tors. eta vs tors. theta energy: -142.963
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: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1944.719454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.719454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.228727 (E_RNA)
where:
Base-Base interactions energy: -1297.727
where: short stacking energy: -539.984
Base-Backbone interact. energy: -2.224
local terms energy: -647.277853
where:
bonds (distance) C4'-P energy: -141.327
bonds (distance) P-C4' energy: -127.396
flat angles C4'-P-C4' energy: -136.180
flat angles P-C4'-P energy: -92.971
tors. eta vs tors. theta energy: -149.403
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1924.930547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.930547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.381131 (E_RNA)
where:
Base-Base interactions energy: -1277.165
where: short stacking energy: -542.274
Base-Backbone interact. energy: -1.896
local terms energy: -649.319835
where:
bonds (distance) C4'-P energy: -139.717
bonds (distance) P-C4' energy: -131.042
flat angles C4'-P-C4' energy: -138.947
flat angles P-C4'-P energy: -92.237
tors. eta vs tors. theta energy: -147.377
Dist. restrs. and SS energy: 3.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2794.464015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.464015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.864993 (E_RNA)
where:
Base-Base interactions energy: -1910.345
where: short stacking energy: -779.469
Base-Backbone interact. energy: -2.163
local terms energy: -884.356736
where:
bonds (distance) C4'-P energy: -158.195
bonds (distance) P-C4' energy: -181.421
flat angles C4'-P-C4' energy: -188.417
flat angles P-C4'-P energy: -127.726
tors. eta vs tors. theta energy: -228.598
Dist. restrs. and SS energy: 2.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2703.874567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.874567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.337918 (E_RNA)
where:
Base-Base interactions energy: -1865.362
where: short stacking energy: -792.627
Base-Backbone interact. energy: 2.072
local terms energy: -842.047834
where:
bonds (distance) C4'-P energy: -153.946
bonds (distance) P-C4' energy: -154.432
flat angles C4'-P-C4' energy: -178.922
flat angles P-C4'-P energy: -127.977
tors. eta vs tors. theta energy: -226.771
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2566.680848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.680848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.798795 (E_RNA)
where:
Base-Base interactions energy: -1753.873
where: short stacking energy: -752.210
Base-Backbone interact. energy: -2.063
local terms energy: -812.862891
where:
bonds (distance) C4'-P energy: -154.180
bonds (distance) P-C4' energy: -138.242
flat angles C4'-P-C4' energy: -170.464
flat angles P-C4'-P energy: -123.565
tors. eta vs tors. theta energy: -226.411
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: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2434.684428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.684428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.004482 (E_RNA)
where:
Base-Base interactions energy: -1672.919
where: short stacking energy: -730.925
Base-Backbone interact. energy: -3.011
local terms energy: -760.074229
where:
bonds (distance) C4'-P energy: -140.269
bonds (distance) P-C4' energy: -143.129
flat angles C4'-P-C4' energy: -173.399
flat angles P-C4'-P energy: -100.649
tors. eta vs tors. theta energy: -202.628
Dist. restrs. and SS energy: 1.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2371.961690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.961690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.787237 (E_RNA)
where:
Base-Base interactions energy: -1580.965
where: short stacking energy: -685.267
Base-Backbone interact. energy: -0.736
local terms energy: -792.086638
where:
bonds (distance) C4'-P energy: -154.930
bonds (distance) P-C4' energy: -161.906
flat angles C4'-P-C4' energy: -154.264
flat angles P-C4'-P energy: -128.373
tors. eta vs tors. theta energy: -192.614
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2172.222041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.222041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.832509 (E_RNA)
where:
Base-Base interactions energy: -1457.495
where: short stacking energy: -611.925
Base-Backbone interact. energy: -0.461
local terms energy: -716.876026
where:
bonds (distance) C4'-P energy: -140.002
bonds (distance) P-C4' energy: -149.429
flat angles C4'-P-C4' energy: -152.527
flat angles P-C4'-P energy: -98.635
tors. eta vs tors. theta energy: -176.282
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: 173
Temperature: 1.200000
Total energy: -2138.021326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.021326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.303837 (E_RNA)
where:
Base-Base interactions energy: -1427.534
where: short stacking energy: -609.204
Base-Backbone interact. energy: -2.343
local terms energy: -709.426160
where:
bonds (distance) C4'-P energy: -134.342
bonds (distance) P-C4' energy: -155.585
flat angles C4'-P-C4' energy: -151.503
flat angles P-C4'-P energy: -97.840
tors. eta vs tors. theta energy: -170.156
Dist. restrs. and SS energy: 1.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -2047.855670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.855670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.831075 (E_RNA)
where:
Base-Base interactions energy: -1347.519
where: short stacking energy: -574.400
Base-Backbone interact. energy: -0.336
local terms energy: -702.976586
where:
bonds (distance) C4'-P energy: -151.998
bonds (distance) P-C4' energy: -128.772
flat angles C4'-P-C4' energy: -168.445
flat angles P-C4'-P energy: -104.856
tors. eta vs tors. theta energy: -148.905
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: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1926.893748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.893748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.464780 (E_RNA)
where:
Base-Base interactions energy: -1321.220
where: short stacking energy: -545.409
Base-Backbone interact. energy: 3.070
local terms energy: -612.315363
where:
bonds (distance) C4'-P energy: -126.413
bonds (distance) P-C4' energy: -119.311
flat angles C4'-P-C4' energy: -152.059
flat angles P-C4'-P energy: -87.130
tors. eta vs tors. theta energy: -127.403
Dist. restrs. and SS energy: 3.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1845.861186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.861186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.375620 (E_RNA)
where:
Base-Base interactions energy: -1237.834
where: short stacking energy: -533.981
Base-Backbone interact. energy: -3.439
local terms energy: -611.102885
where:
bonds (distance) C4'-P energy: -118.822
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -142.977
flat angles P-C4'-P energy: -75.589
tors. eta vs tors. theta energy: -136.176
Dist. restrs. and SS energy: 6.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2801.931372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.931372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.031624 (E_RNA)
where:
Base-Base interactions energy: -1917.994
where: short stacking energy: -824.321
Base-Backbone interact. energy: -1.456
local terms energy: -885.581673
where:
bonds (distance) C4'-P energy: -153.700
bonds (distance) P-C4' energy: -171.631
flat angles C4'-P-C4' energy: -187.659
flat angles P-C4'-P energy: -143.078
tors. eta vs tors. theta energy: -229.513
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: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2729.116532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.116532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.218328 (E_RNA)
where:
Base-Base interactions energy: -1879.346
where: short stacking energy: -794.167
Base-Backbone interact. energy: -4.997
local terms energy: -845.875519
where:
bonds (distance) C4'-P energy: -138.876
bonds (distance) P-C4' energy: -162.692
flat angles C4'-P-C4' energy: -194.673
flat angles P-C4'-P energy: -124.732
tors. eta vs tors. theta energy: -224.902
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2555.382092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.382092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.263864 (E_RNA)
where:
Base-Base interactions energy: -1754.562
where: short stacking energy: -762.538
Base-Backbone interact. energy: -3.033
local terms energy: -799.668969
where:
bonds (distance) C4'-P energy: -150.550
bonds (distance) P-C4' energy: -144.425
flat angles C4'-P-C4' energy: -176.661
flat angles P-C4'-P energy: -119.983
tors. eta vs tors. theta energy: -208.049
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2405.873598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.873598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.962488 (E_RNA)
where:
Base-Base interactions energy: -1669.219
where: short stacking energy: -707.816
Base-Backbone interact. energy: 10.176
local terms energy: -748.919519
where:
bonds (distance) C4'-P energy: -139.301
bonds (distance) P-C4' energy: -146.397
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -110.066
tors. eta vs tors. theta energy: -197.662
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: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2376.995025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.995025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.806578 (E_RNA)
where:
Base-Base interactions energy: -1605.013
where: short stacking energy: -703.743
Base-Backbone interact. energy: -2.170
local terms energy: -771.623301
where:
bonds (distance) C4'-P energy: -142.032
bonds (distance) P-C4' energy: -152.146
flat angles C4'-P-C4' energy: -165.677
flat angles P-C4'-P energy: -108.186
tors. eta vs tors. theta energy: -203.582
Dist. restrs. and SS energy: 1.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2203.673430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.673430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.053977 (E_RNA)
where:
Base-Base interactions energy: -1501.561
where: short stacking energy: -657.967
Base-Backbone interact. energy: -0.496
local terms energy: -702.997101
where:
bonds (distance) C4'-P energy: -146.934
bonds (distance) P-C4' energy: -129.645
flat angles C4'-P-C4' energy: -164.807
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -183.370
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: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2094.111883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.111883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.682898 (E_RNA)
where:
Base-Base interactions energy: -1402.072
where: short stacking energy: -593.990
Base-Backbone interact. energy: -4.822
local terms energy: -689.789205
where:
bonds (distance) C4'-P energy: -138.222
bonds (distance) P-C4' energy: -144.260
flat angles C4'-P-C4' energy: -133.239
flat angles P-C4'-P energy: -98.245
tors. eta vs tors. theta energy: -175.823
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: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2016.232412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.232412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.171510 (E_RNA)
where:
Base-Base interactions energy: -1334.980
where: short stacking energy: -563.346
Base-Backbone interact. energy: -1.769
local terms energy: -681.421734
where:
bonds (distance) C4'-P energy: -139.335
bonds (distance) P-C4' energy: -154.115
flat angles C4'-P-C4' energy: -147.014
flat angles P-C4'-P energy: -89.363
tors. eta vs tors. theta energy: -151.596
Dist. restrs. and SS energy: 1.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1916.627751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.627751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.891085 (E_RNA)
where:
Base-Base interactions energy: -1292.917
where: short stacking energy: -543.586
Base-Backbone interact. energy: -1.939
local terms energy: -632.034636
where:
bonds (distance) C4'-P energy: -142.616
bonds (distance) P-C4' energy: -143.735
flat angles C4'-P-C4' energy: -136.140
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -134.775
Dist. restrs. and SS energy: 10.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1864.307958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.307958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.267937 (E_RNA)
where:
Base-Base interactions energy: -1227.663
where: short stacking energy: -524.946
Base-Backbone interact. energy: -1.177
local terms energy: -639.427966
where:
bonds (distance) C4'-P energy: -130.913
bonds (distance) P-C4' energy: -150.432
flat angles C4'-P-C4' energy: -143.951
flat angles P-C4'-P energy: -83.546
tors. eta vs tors. theta energy: -130.587
Dist. restrs. and SS energy: 3.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2822.819556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.819556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.577925 (E_RNA)
where:
Base-Base interactions energy: -1935.066
where: short stacking energy: -810.098
Base-Backbone interact. energy: -4.551
local terms energy: -884.960867
where:
bonds (distance) C4'-P energy: -159.735
bonds (distance) P-C4' energy: -168.292
flat angles C4'-P-C4' energy: -190.585
flat angles P-C4'-P energy: -135.058
tors. eta vs tors. theta energy: -231.291
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: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2694.797546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.797546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.185075 (E_RNA)
where:
Base-Base interactions energy: -1855.754
where: short stacking energy: -806.778
Base-Backbone interact. energy: 0.091
local terms energy: -840.521924
where:
bonds (distance) C4'-P energy: -157.665
bonds (distance) P-C4' energy: -165.595
flat angles C4'-P-C4' energy: -171.699
flat angles P-C4'-P energy: -113.398
tors. eta vs tors. theta energy: -232.165
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2550.603588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.603588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.952497 (E_RNA)
where:
Base-Base interactions energy: -1733.246
where: short stacking energy: -751.116
Base-Backbone interact. energy: -4.438
local terms energy: -816.268460
where:
bonds (distance) C4'-P energy: -154.210
bonds (distance) P-C4' energy: -163.315
flat angles C4'-P-C4' energy: -179.115
flat angles P-C4'-P energy: -109.646
tors. eta vs tors. theta energy: -209.982
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: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2414.391676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.391676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.369570 (E_RNA)
where:
Base-Base interactions energy: -1645.369
where: short stacking energy: -713.378
Base-Backbone interact. energy: -3.771
local terms energy: -767.229080
where:
bonds (distance) C4'-P energy: -142.572
bonds (distance) P-C4' energy: -145.017
flat angles C4'-P-C4' energy: -159.490
flat angles P-C4'-P energy: -110.656
tors. eta vs tors. theta energy: -209.493
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2291.357385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.357385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.260099 (E_RNA)
where:
Base-Base interactions energy: -1557.396
where: short stacking energy: -679.051
Base-Backbone interact. energy: -4.287
local terms energy: -731.577784
where:
bonds (distance) C4'-P energy: -133.227
bonds (distance) P-C4' energy: -142.348
flat angles C4'-P-C4' energy: -167.365
flat angles P-C4'-P energy: -103.912
tors. eta vs tors. theta energy: -184.726
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2175.203403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.203403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.257280 (E_RNA)
where:
Base-Base interactions energy: -1465.417
where: short stacking energy: -630.446
Base-Backbone interact. energy: -0.831
local terms energy: -711.009774
where:
bonds (distance) C4'-P energy: -138.484
bonds (distance) P-C4' energy: -137.414
flat angles C4'-P-C4' energy: -156.362
flat angles P-C4'-P energy: -103.951
tors. eta vs tors. theta energy: -174.799
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: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2131.365981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.365981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.901313 (E_RNA)
where:
Base-Base interactions energy: -1417.059
where: short stacking energy: -616.358
Base-Backbone interact. energy: -1.513
local terms energy: -715.328627
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -149.782
flat angles C4'-P-C4' energy: -165.205
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -169.745
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1994.348345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.348345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.408529 (E_RNA)
where:
Base-Base interactions energy: -1372.891
where: short stacking energy: -592.922
Base-Backbone interact. energy: 2.131
local terms energy: -626.648780
where:
bonds (distance) C4'-P energy: -131.171
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -136.320
flat angles P-C4'-P energy: -94.769
tors. eta vs tors. theta energy: -145.460
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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1964.672698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.672698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.532574 (E_RNA)
where:
Base-Base interactions energy: -1289.738
where: short stacking energy: -543.865
Base-Backbone interact. energy: -1.642
local terms energy: -676.152617
where:
bonds (distance) C4'-P energy: -147.607
bonds (distance) P-C4' energy: -145.951
flat angles C4'-P-C4' energy: -135.354
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -153.628
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: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1860.854197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.854197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.627990 (E_RNA)
where:
Base-Base interactions energy: -1298.610
where: short stacking energy: -538.464
Base-Backbone interact. energy: -0.561
local terms energy: -563.456464
where:
bonds (distance) C4'-P energy: -129.263
bonds (distance) P-C4' energy: -110.571
flat angles C4'-P-C4' energy: -131.003
flat angles P-C4'-P energy: -75.187
tors. eta vs tors. theta energy: -117.433
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: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2804.192549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.192549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.960893 (E_RNA)
where:
Base-Base interactions energy: -1932.210
where: short stacking energy: -818.138
Base-Backbone interact. energy: -2.916
local terms energy: -871.835006
where:
bonds (distance) C4'-P energy: -158.102
bonds (distance) P-C4' energy: -165.190
flat angles C4'-P-C4' energy: -184.416
flat angles P-C4'-P energy: -125.407
tors. eta vs tors. theta energy: -238.720
Dist. restrs. and SS energy: 2.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2708.721276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.721276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.835521 (E_RNA)
where:
Base-Base interactions energy: -1875.216
where: short stacking energy: -815.002
Base-Backbone interact. energy: 3.462
local terms energy: -838.082096
where:
bonds (distance) C4'-P energy: -142.829
bonds (distance) P-C4' energy: -156.354
flat angles C4'-P-C4' energy: -182.615
flat angles P-C4'-P energy: -111.433
tors. eta vs tors. theta energy: -244.851
Dist. restrs. and SS energy: 1.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2570.400169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.400169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.298836 (E_RNA)
where:
Base-Base interactions energy: -1763.577
where: short stacking energy: -776.451
Base-Backbone interact. energy: -2.904
local terms energy: -806.817530
where:
bonds (distance) C4'-P energy: -151.270
bonds (distance) P-C4' energy: -154.348
flat angles C4'-P-C4' energy: -172.670
flat angles P-C4'-P energy: -119.894
tors. eta vs tors. theta energy: -208.635
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: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2413.864166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.864166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.251724 (E_RNA)
where:
Base-Base interactions energy: -1615.784
where: short stacking energy: -705.039
Base-Backbone interact. energy: -0.362
local terms energy: -800.104949
where:
bonds (distance) C4'-P energy: -157.879
bonds (distance) P-C4' energy: -151.819
flat angles C4'-P-C4' energy: -176.701
flat angles P-C4'-P energy: -114.303
tors. eta vs tors. theta energy: -199.403
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: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2398.694025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.694025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.274281 (E_RNA)
where:
Base-Base interactions energy: -1635.908
where: short stacking energy: -698.626
Base-Backbone interact. energy: -1.586
local terms energy: -762.779657
where:
bonds (distance) C4'-P energy: -138.387
bonds (distance) P-C4' energy: -136.029
flat angles C4'-P-C4' energy: -164.519
flat angles P-C4'-P energy: -123.085
tors. eta vs tors. theta energy: -200.759
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: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2141.302045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.302045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.526606 (E_RNA)
where:
Base-Base interactions energy: -1467.899
where: short stacking energy: -599.685
Base-Backbone interact. energy: 0.561
local terms energy: -675.187965
where:
bonds (distance) C4'-P energy: -147.792
bonds (distance) P-C4' energy: -145.146
flat angles C4'-P-C4' energy: -150.347
flat angles P-C4'-P energy: -93.343
tors. eta vs tors. theta energy: -138.560
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2081.099996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.099996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.344054 (E_RNA)
where:
Base-Base interactions energy: -1409.655
where: short stacking energy: -626.529
Base-Backbone interact. energy: 0.132
local terms energy: -673.820766
where:
bonds (distance) C4'-P energy: -126.598
bonds (distance) P-C4' energy: -125.353
flat angles C4'-P-C4' energy: -148.291
flat angles P-C4'-P energy: -91.698
tors. eta vs tors. theta energy: -181.881
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: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2043.831812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.831812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.958925 (E_RNA)
where:
Base-Base interactions energy: -1415.027
where: short stacking energy: -617.387
Base-Backbone interact. energy: 2.868
local terms energy: -633.799722
where:
bonds (distance) C4'-P energy: -121.384
bonds (distance) P-C4' energy: -132.081
flat angles C4'-P-C4' energy: -142.234
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -165.190
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1910.492942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.492942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.109259 (E_RNA)
where:
Base-Base interactions energy: -1308.963
where: short stacking energy: -532.087
Base-Backbone interact. energy: -0.304
local terms energy: -604.841834
where:
bonds (distance) C4'-P energy: -114.111
bonds (distance) P-C4' energy: -129.546
flat angles C4'-P-C4' energy: -148.470
flat angles P-C4'-P energy: -82.641
tors. eta vs tors. theta energy: -130.073
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1897.644911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.644911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.437074 (E_RNA)
where:
Base-Base interactions energy: -1309.408
where: short stacking energy: -548.903
Base-Backbone interact. energy: 1.483
local terms energy: -592.511838
where:
bonds (distance) C4'-P energy: -111.328
bonds (distance) P-C4' energy: -144.858
flat angles C4'-P-C4' energy: -110.991
flat angles P-C4'-P energy: -85.646
tors. eta vs tors. theta energy: -139.689
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: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2776.553176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.553176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.005281 (E_RNA)
where:
Base-Base interactions energy: -1884.770
where: short stacking energy: -818.085
Base-Backbone interact. energy: -2.227
local terms energy: -892.008621
where:
bonds (distance) C4'-P energy: -173.448
bonds (distance) P-C4' energy: -153.773
flat angles C4'-P-C4' energy: -195.976
flat angles P-C4'-P energy: -128.190
tors. eta vs tors. theta energy: -240.622
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: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2725.270879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.270879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.132900 (E_RNA)
where:
Base-Base interactions energy: -1869.865
where: short stacking energy: -786.445
Base-Backbone interact. energy: -3.501
local terms energy: -852.767607
where:
bonds (distance) C4'-P energy: -156.025
bonds (distance) P-C4' energy: -169.416
flat angles C4'-P-C4' energy: -184.915
flat angles P-C4'-P energy: -107.634
tors. eta vs tors. theta energy: -234.778
Dist. restrs. and SS energy: 0.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2586.665462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.665462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.504094 (E_RNA)
where:
Base-Base interactions energy: -1759.424
where: short stacking energy: -756.291
Base-Backbone interact. energy: 1.398
local terms energy: -830.478073
where:
bonds (distance) C4'-P energy: -152.101
bonds (distance) P-C4' energy: -158.786
flat angles C4'-P-C4' energy: -177.591
flat angles P-C4'-P energy: -124.399
tors. eta vs tors. theta energy: -217.602
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: 177
Temperature: 1.050000
Total energy: -2420.942022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.942022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.010208 (E_RNA)
where:
Base-Base interactions energy: -1651.527
where: short stacking energy: -716.793
Base-Backbone interact. energy: -4.572
local terms energy: -766.911467
where:
bonds (distance) C4'-P energy: -125.268
bonds (distance) P-C4' energy: -149.414
flat angles C4'-P-C4' energy: -170.771
flat angles P-C4'-P energy: -124.874
tors. eta vs tors. theta energy: -196.585
Dist. restrs. and SS energy: 2.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2368.617973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.617973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.333498 (E_RNA)
where:
Base-Base interactions energy: -1626.220
where: short stacking energy: -691.406
Base-Backbone interact. energy: -1.422
local terms energy: -743.691657
where:
bonds (distance) C4'-P energy: -144.414
bonds (distance) P-C4' energy: -143.989
flat angles C4'-P-C4' energy: -167.854
flat angles P-C4'-P energy: -104.794
tors. eta vs tors. theta energy: -182.641
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: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2183.603688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.603688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.402825 (E_RNA)
where:
Base-Base interactions energy: -1489.872
where: short stacking energy: -660.076
Base-Backbone interact. energy: -2.687
local terms energy: -693.843429
where:
bonds (distance) C4'-P energy: -137.626
bonds (distance) P-C4' energy: -133.232
flat angles C4'-P-C4' energy: -153.016
flat angles P-C4'-P energy: -88.605
tors. eta vs tors. theta energy: -181.365
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2155.689524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.689524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.391988 (E_RNA)
where:
Base-Base interactions energy: -1479.931
where: short stacking energy: -660.009
Base-Backbone interact. energy: 6.647
local terms energy: -685.108170
where:
bonds (distance) C4'-P energy: -134.109
bonds (distance) P-C4' energy: -146.698
flat angles C4'-P-C4' energy: -143.528
flat angles P-C4'-P energy: -78.244
tors. eta vs tors. theta energy: -182.530
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: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1973.537683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.537683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.321938 (E_RNA)
where:
Base-Base interactions energy: -1328.327
where: short stacking energy: -572.274
Base-Backbone interact. energy: 2.665
local terms energy: -653.659665
where:
bonds (distance) C4'-P energy: -133.208
bonds (distance) P-C4' energy: -143.026
flat angles C4'-P-C4' energy: -143.823
flat angles P-C4'-P energy: -83.647
tors. eta vs tors. theta energy: -149.956
Dist. restrs. and SS energy: 5.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1910.485877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.485877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.131366 (E_RNA)
where:
Base-Base interactions energy: -1279.361
where: short stacking energy: -526.137
Base-Backbone interact. energy: -3.239
local terms energy: -631.531399
where:
bonds (distance) C4'-P energy: -122.114
bonds (distance) P-C4' energy: -160.302
flat angles C4'-P-C4' energy: -142.972
flat angles P-C4'-P energy: -86.579
tors. eta vs tors. theta energy: -119.565
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: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1884.320819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.697539 (E_RNA)
where:
Base-Base interactions energy: -1294.387
where: short stacking energy: -543.635
Base-Backbone interact. energy: -0.290
local terms energy: -593.020286
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -119.772
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -149.551
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: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2827.917105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.917105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.048758 (E_RNA)
where:
Base-Base interactions energy: -1951.712
where: short stacking energy: -827.174
Base-Backbone interact. energy: -0.876
local terms energy: -877.460679
where:
bonds (distance) C4'-P energy: -163.369
bonds (distance) P-C4' energy: -159.319
flat angles C4'-P-C4' energy: -183.578
flat angles P-C4'-P energy: -128.256
tors. eta vs tors. theta energy: -242.938
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: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2751.254266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.254266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.164991 (E_RNA)
where:
Base-Base interactions energy: -1863.471
where: short stacking energy: -771.426
Base-Backbone interact. energy: -3.456
local terms energy: -885.238126
where:
bonds (distance) C4'-P energy: -158.174
bonds (distance) P-C4' energy: -152.357
flat angles C4'-P-C4' energy: -191.274
flat angles P-C4'-P energy: -140.115
tors. eta vs tors. theta energy: -243.318
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: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2550.295314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.295314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.161363 (E_RNA)
where:
Base-Base interactions energy: -1755.957
where: short stacking energy: -739.046
Base-Backbone interact. energy: -6.773
local terms energy: -789.431800
where:
bonds (distance) C4'-P energy: -137.840
bonds (distance) P-C4' energy: -151.794
flat angles C4'-P-C4' energy: -186.535
flat angles P-C4'-P energy: -114.496
tors. eta vs tors. theta energy: -198.767
Dist. restrs. and SS energy: 1.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2414.383546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.383546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.637584 (E_RNA)
where:
Base-Base interactions energy: -1647.575
where: short stacking energy: -687.459
Base-Backbone interact. energy: 5.198
local terms energy: -775.260373
where:
bonds (distance) C4'-P energy: -151.618
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -168.785
flat angles P-C4'-P energy: -123.691
tors. eta vs tors. theta energy: -194.979
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: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2352.128721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.128721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.353003 (E_RNA)
where:
Base-Base interactions energy: -1615.524
where: short stacking energy: -668.222
Base-Backbone interact. energy: -3.490
local terms energy: -736.339238
where:
bonds (distance) C4'-P energy: -144.704
bonds (distance) P-C4' energy: -128.230
flat angles C4'-P-C4' energy: -165.444
flat angles P-C4'-P energy: -106.725
tors. eta vs tors. theta energy: -191.235
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2191.843363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.843363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.223681 (E_RNA)
where:
Base-Base interactions energy: -1524.167
where: short stacking energy: -636.191
Base-Backbone interact. energy: -4.626
local terms energy: -664.431402
where:
bonds (distance) C4'-P energy: -127.683
bonds (distance) P-C4' energy: -129.200
flat angles C4'-P-C4' energy: -153.911
flat angles P-C4'-P energy: -87.289
tors. eta vs tors. theta energy: -166.349
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: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2089.208186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.208186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.479691 (E_RNA)
where:
Base-Base interactions energy: -1391.608
where: short stacking energy: -609.526
Base-Backbone interact. energy: 1.817
local terms energy: -702.688479
where:
bonds (distance) C4'-P energy: -129.650
bonds (distance) P-C4' energy: -147.032
flat angles C4'-P-C4' energy: -157.188
flat angles P-C4'-P energy: -95.531
tors. eta vs tors. theta energy: -173.286
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1963.501406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.501406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.922172 (E_RNA)
where:
Base-Base interactions energy: -1357.094
where: short stacking energy: -584.247
Base-Backbone interact. energy: -2.568
local terms energy: -606.259776
where:
bonds (distance) C4'-P energy: -117.963
bonds (distance) P-C4' energy: -129.646
flat angles C4'-P-C4' energy: -136.832
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -145.049
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1947.637365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.637365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.524138 (E_RNA)
where:
Base-Base interactions energy: -1319.356
where: short stacking energy: -576.372
Base-Backbone interact. energy: 0.434
local terms energy: -632.602306
where:
bonds (distance) C4'-P energy: -155.004
bonds (distance) P-C4' energy: -107.202
flat angles C4'-P-C4' energy: -136.725
flat angles P-C4'-P energy: -83.535
tors. eta vs tors. theta energy: -150.136
Dist. restrs. and SS energy: 3.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1874.905314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.905314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.718533 (E_RNA)
where:
Base-Base interactions energy: -1255.155
where: short stacking energy: -517.823
Base-Backbone interact. energy: 0.668
local terms energy: -624.232295
where:
bonds (distance) C4'-P energy: -115.214
bonds (distance) P-C4' energy: -137.777
flat angles C4'-P-C4' energy: -132.923
flat angles P-C4'-P energy: -89.017
tors. eta vs tors. theta energy: -149.302
Dist. restrs. and SS energy: 3.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2809.543032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.543032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.407773 (E_RNA)
where:
Base-Base interactions energy: -1951.575
where: short stacking energy: -812.583
Base-Backbone interact. energy: -0.634
local terms energy: -859.199213
where:
bonds (distance) C4'-P energy: -163.964
bonds (distance) P-C4' energy: -156.343
flat angles C4'-P-C4' energy: -187.144
flat angles P-C4'-P energy: -127.437
tors. eta vs tors. theta energy: -224.311
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: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2689.828401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.731063 (E_RNA)
where:
Base-Base interactions energy: -1866.703
where: short stacking energy: -759.651
Base-Backbone interact. energy: -5.368
local terms energy: -818.660894
where:
bonds (distance) C4'-P energy: -154.362
bonds (distance) P-C4' energy: -165.283
flat angles C4'-P-C4' energy: -169.492
flat angles P-C4'-P energy: -121.158
tors. eta vs tors. theta energy: -208.365
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. 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: -2560.861860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.861860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.933884 (E_RNA)
where:
Base-Base interactions energy: -1727.933
where: short stacking energy: -735.696
Base-Backbone interact. energy: -0.284
local terms energy: -833.716794
where:
bonds (distance) C4'-P energy: -174.042
bonds (distance) P-C4' energy: -151.218
flat angles C4'-P-C4' energy: -173.208
flat angles P-C4'-P energy: -110.850
tors. eta vs tors. theta energy: -224.399
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2412.392195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.392195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.581784 (E_RNA)
where:
Base-Base interactions energy: -1650.266
where: short stacking energy: -705.899
Base-Backbone interact. energy: 0.833
local terms energy: -765.148295
where:
bonds (distance) C4'-P energy: -141.060
bonds (distance) P-C4' energy: -146.347
flat angles C4'-P-C4' energy: -160.096
flat angles P-C4'-P energy: -108.370
tors. eta vs tors. theta energy: -209.275
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: 179
Temperature: 1.100000
Total energy: -2371.404855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.404855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.268948 (E_RNA)
where:
Base-Base interactions energy: -1630.718
where: short stacking energy: -688.638
Base-Backbone interact. energy: -3.376
local terms energy: -739.174776
where:
bonds (distance) C4'-P energy: -150.060
bonds (distance) P-C4' energy: -136.644
flat angles C4'-P-C4' energy: -151.586
flat angles P-C4'-P energy: -112.278
tors. eta vs tors. theta energy: -188.606
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2137.710742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.710742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.868889 (E_RNA)
where:
Base-Base interactions energy: -1398.739
where: short stacking energy: -614.052
Base-Backbone interact. energy: 2.596
local terms energy: -743.725601
where:
bonds (distance) C4'-P energy: -137.020
bonds (distance) P-C4' energy: -146.313
flat angles C4'-P-C4' energy: -162.397
flat angles P-C4'-P energy: -111.393
tors. eta vs tors. theta energy: -186.603
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2105.547994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.547994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.658894 (E_RNA)
where:
Base-Base interactions energy: -1423.305
where: short stacking energy: -617.239
Base-Backbone interact. energy: 2.648
local terms energy: -688.001287
where:
bonds (distance) C4'-P energy: -146.674
bonds (distance) P-C4' energy: -139.010
flat angles C4'-P-C4' energy: -155.418
flat angles P-C4'-P energy: -84.326
tors. eta vs tors. theta energy: -162.574
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: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2029.932555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.932555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.853020 (E_RNA)
where:
Base-Base interactions energy: -1373.299
where: short stacking energy: -584.189
Base-Backbone interact. energy: -2.275
local terms energy: -657.278437
where:
bonds (distance) C4'-P energy: -133.404
bonds (distance) P-C4' energy: -128.026
flat angles C4'-P-C4' energy: -154.147
flat angles P-C4'-P energy: -96.555
tors. eta vs tors. theta energy: -145.146
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: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1943.820030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.820030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.170179 (E_RNA)
where:
Base-Base interactions energy: -1314.921
where: short stacking energy: -552.655
Base-Backbone interact. energy: 2.752
local terms energy: -634.001617
where:
bonds (distance) C4'-P energy: -136.215
bonds (distance) P-C4' energy: -129.476
flat angles C4'-P-C4' energy: -149.160
flat angles P-C4'-P energy: -77.945
tors. eta vs tors. theta energy: -141.207
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: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1879.977243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.977243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.818278 (E_RNA)
where:
Base-Base interactions energy: -1279.400
where: short stacking energy: -527.012
Base-Backbone interact. energy: -0.488
local terms energy: -602.930617
where:
bonds (distance) C4'-P energy: -124.070
bonds (distance) P-C4' energy: -114.043
flat angles C4'-P-C4' energy: -137.923
flat angles P-C4'-P energy: -86.382
tors. eta vs tors. theta energy: -140.513
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: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2794.327219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.327219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.706113 (E_RNA)
where:
Base-Base interactions energy: -1906.733
where: short stacking energy: -828.610
Base-Backbone interact. energy: -4.844
local terms energy: -886.129976
where:
bonds (distance) C4'-P energy: -145.622
bonds (distance) P-C4' energy: -175.268
flat angles C4'-P-C4' energy: -201.776
flat angles P-C4'-P energy: -118.829
tors. eta vs tors. theta energy: -244.634
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2735.520012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.520012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.797921 (E_RNA)
where:
Base-Base interactions energy: -1872.825
where: short stacking energy: -774.486
Base-Backbone interact. energy: -4.487
local terms energy: -859.486829
where:
bonds (distance) C4'-P energy: -167.185
bonds (distance) P-C4' energy: -159.978
flat angles C4'-P-C4' energy: -178.226
flat angles P-C4'-P energy: -116.776
tors. eta vs tors. theta energy: -237.323
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: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2531.547117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.547117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.011105 (E_RNA)
where:
Base-Base interactions energy: -1727.488
where: short stacking energy: -747.066
Base-Backbone interact. energy: -5.619
local terms energy: -799.904628
where:
bonds (distance) C4'-P energy: -155.290
bonds (distance) P-C4' energy: -144.207
flat angles C4'-P-C4' energy: -178.395
flat angles P-C4'-P energy: -112.804
tors. eta vs tors. theta energy: -209.208
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: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2413.262702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.262702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.283247 (E_RNA)
where:
Base-Base interactions energy: -1658.198
where: short stacking energy: -712.593
Base-Backbone interact. energy: 3.713
local terms energy: -760.798507
where:
bonds (distance) C4'-P energy: -152.771
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -162.507
flat angles P-C4'-P energy: -114.165
tors. eta vs tors. theta energy: -201.678
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2392.378985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.378985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.510625 (E_RNA)
where:
Base-Base interactions energy: -1633.011
where: short stacking energy: -715.164
Base-Backbone interact. energy: -1.007
local terms energy: -760.492088
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -153.955
flat angles C4'-P-C4' energy: -167.108
flat angles P-C4'-P energy: -108.100
tors. eta vs tors. theta energy: -201.726
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: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2188.858739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.858739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.627859 (E_RNA)
where:
Base-Base interactions energy: -1469.751
where: short stacking energy: -637.074
Base-Backbone interact. energy: 3.810
local terms energy: -725.686355
where:
bonds (distance) C4'-P energy: -142.459
bonds (distance) P-C4' energy: -128.028
flat angles C4'-P-C4' energy: -162.649
flat angles P-C4'-P energy: -109.107
tors. eta vs tors. theta energy: -183.444
Dist. restrs. and SS energy: 2.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2130.701347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.701347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.528830 (E_RNA)
where:
Base-Base interactions energy: -1433.520
where: short stacking energy: -594.728
Base-Backbone interact. energy: -1.944
local terms energy: -698.064476
where:
bonds (distance) C4'-P energy: -108.929
bonds (distance) P-C4' energy: -167.306
flat angles C4'-P-C4' energy: -157.616
flat angles P-C4'-P energy: -101.365
tors. eta vs tors. theta energy: -162.849
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2024.402905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.402905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.184688 (E_RNA)
where:
Base-Base interactions energy: -1361.645
where: short stacking energy: -579.924
Base-Backbone interact. energy: 5.850
local terms energy: -670.390060
where:
bonds (distance) C4'-P energy: -152.023
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -138.268
flat angles P-C4'-P energy: -87.115
tors. eta vs tors. theta energy: -159.154
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1949.496571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.496571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.561126 (E_RNA)
where:
Base-Base interactions energy: -1314.012
where: short stacking energy: -533.638
Base-Backbone interact. energy: -2.800
local terms energy: -634.749515
where:
bonds (distance) C4'-P energy: -126.123
bonds (distance) P-C4' energy: -124.619
flat angles C4'-P-C4' energy: -149.523
flat angles P-C4'-P energy: -86.123
tors. eta vs tors. theta energy: -148.361
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1871.760216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.760216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.780928 (E_RNA)
where:
Base-Base interactions energy: -1287.646
where: short stacking energy: -556.423
Base-Backbone interact. energy: -1.577
local terms energy: -587.558180
where:
bonds (distance) C4'-P energy: -105.619
bonds (distance) P-C4' energy: -142.151
flat angles C4'-P-C4' energy: -111.472
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -146.525
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: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2822.707489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.707489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.032807 (E_RNA)
where:
Base-Base interactions energy: -1940.619
where: short stacking energy: -839.885
Base-Backbone interact. energy: -1.429
local terms energy: -881.985135
where:
bonds (distance) C4'-P energy: -163.062
bonds (distance) P-C4' energy: -169.253
flat angles C4'-P-C4' energy: -181.386
flat angles P-C4'-P energy: -119.257
tors. eta vs tors. theta energy: -249.028
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2724.904361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.904361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.008101 (E_RNA)
where:
Base-Base interactions energy: -1876.550
where: short stacking energy: -784.286
Base-Backbone interact. energy: -0.327
local terms energy: -849.131168
where:
bonds (distance) C4'-P energy: -146.437
bonds (distance) P-C4' energy: -166.316
flat angles C4'-P-C4' energy: -184.391
flat angles P-C4'-P energy: -121.353
tors. eta vs tors. theta energy: -230.634
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: 181
Temperature: 1.000000
Total energy: -2543.784501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.784501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.422849 (E_RNA)
where:
Base-Base interactions energy: -1721.303
where: short stacking energy: -760.366
Base-Backbone interact. energy: -3.059
local terms energy: -821.061475
where:
bonds (distance) C4'-P energy: -145.092
bonds (distance) P-C4' energy: -163.293
flat angles C4'-P-C4' energy: -174.643
flat angles P-C4'-P energy: -113.408
tors. eta vs tors. theta energy: -224.625
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: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2428.348442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.348442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.702143 (E_RNA)
where:
Base-Base interactions energy: -1669.443
where: short stacking energy: -727.226
Base-Backbone interact. energy: 3.646
local terms energy: -764.904859
where:
bonds (distance) C4'-P energy: -139.583
bonds (distance) P-C4' energy: -130.958
flat angles C4'-P-C4' energy: -174.855
flat angles P-C4'-P energy: -109.492
tors. eta vs tors. theta energy: -210.016
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: 181
Temperature: 1.100000
Total energy: -2419.734379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.734379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.520798 (E_RNA)
where:
Base-Base interactions energy: -1654.041
where: short stacking energy: -702.894
Base-Backbone interact. energy: -0.346
local terms energy: -767.134074
where:
bonds (distance) C4'-P energy: -145.311
bonds (distance) P-C4' energy: -145.220
flat angles C4'-P-C4' energy: -164.450
flat angles P-C4'-P energy: -107.359
tors. eta vs tors. theta energy: -204.795
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2197.692678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.692678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.319052 (E_RNA)
where:
Base-Base interactions energy: -1476.464
where: short stacking energy: -634.937
Base-Backbone interact. energy: -3.281
local terms energy: -719.574020
where:
bonds (distance) C4'-P energy: -125.717
bonds (distance) P-C4' energy: -146.620
flat angles C4'-P-C4' energy: -147.524
flat angles P-C4'-P energy: -117.687
tors. eta vs tors. theta energy: -182.026
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: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2110.867692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.867692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.255375 (E_RNA)
where:
Base-Base interactions energy: -1417.023
where: short stacking energy: -617.482
Base-Backbone interact. energy: 5.528
local terms energy: -701.760559
where:
bonds (distance) C4'-P energy: -121.885
bonds (distance) P-C4' energy: -155.836
flat angles C4'-P-C4' energy: -152.639
flat angles P-C4'-P energy: -104.246
tors. eta vs tors. theta energy: -167.155
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2043.803477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.803477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.557856 (E_RNA)
where:
Base-Base interactions energy: -1375.014
where: short stacking energy: -607.513
Base-Backbone interact. energy: -2.298
local terms energy: -669.245209
where:
bonds (distance) C4'-P energy: -121.679
bonds (distance) P-C4' energy: -154.225
flat angles C4'-P-C4' energy: -145.718
flat angles P-C4'-P energy: -88.084
tors. eta vs tors. theta energy: -159.539
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: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1966.224920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.224920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.129356 (E_RNA)
where:
Base-Base interactions energy: -1320.649
where: short stacking energy: -559.309
Base-Backbone interact. energy: 2.073
local terms energy: -650.553158
where:
bonds (distance) C4'-P energy: -142.568
bonds (distance) P-C4' energy: -145.632
flat angles C4'-P-C4' energy: -139.284
flat angles P-C4'-P energy: -74.900
tors. eta vs tors. theta energy: -148.170
Dist. restrs. and SS energy: 2.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1852.786953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.786953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.811359 (E_RNA)
where:
Base-Base interactions energy: -1292.690
where: short stacking energy: -537.738
Base-Backbone interact. energy: 1.904
local terms energy: -565.024618
where:
bonds (distance) C4'-P energy: -110.465
bonds (distance) P-C4' energy: -122.953
flat angles C4'-P-C4' energy: -125.293
flat angles P-C4'-P energy: -79.150
tors. eta vs tors. theta energy: -127.163
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: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2813.170780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.170780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.307908 (E_RNA)
where:
Base-Base interactions energy: -1951.233
where: short stacking energy: -814.438
Base-Backbone interact. energy: -1.910
local terms energy: -861.164996
where:
bonds (distance) C4'-P energy: -144.674
bonds (distance) P-C4' energy: -174.085
flat angles C4'-P-C4' energy: -183.782
flat angles P-C4'-P energy: -122.714
tors. eta vs tors. theta energy: -235.910
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: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2713.663906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.663906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.477950 (E_RNA)
where:
Base-Base interactions energy: -1852.045
where: short stacking energy: -783.769
Base-Backbone interact. energy: -2.291
local terms energy: -861.141275
where:
bonds (distance) C4'-P energy: -159.278
bonds (distance) P-C4' energy: -166.587
flat angles C4'-P-C4' energy: -192.020
flat angles P-C4'-P energy: -112.452
tors. eta vs tors. theta energy: -230.804
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2484.257678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.257678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.677524 (E_RNA)
where:
Base-Base interactions energy: -1681.789
where: short stacking energy: -742.958
Base-Backbone interact. energy: 3.176
local terms energy: -807.064532
where:
bonds (distance) C4'-P energy: -149.621
bonds (distance) P-C4' energy: -168.984
flat angles C4'-P-C4' energy: -151.282
flat angles P-C4'-P energy: -123.893
tors. eta vs tors. theta energy: -213.284
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2472.844254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.844254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.314626 (E_RNA)
where:
Base-Base interactions energy: -1675.298
where: short stacking energy: -713.982
Base-Backbone interact. energy: 4.614
local terms energy: -803.631270
where:
bonds (distance) C4'-P energy: -146.799
bonds (distance) P-C4' energy: -168.507
flat angles C4'-P-C4' energy: -169.295
flat angles P-C4'-P energy: -114.398
tors. eta vs tors. theta energy: -204.633
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: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2367.055671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.055671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.475434 (E_RNA)
where:
Base-Base interactions energy: -1629.309
where: short stacking energy: -690.846
Base-Backbone interact. energy: -2.745
local terms energy: -737.420765
where:
bonds (distance) C4'-P energy: -134.136
bonds (distance) P-C4' energy: -146.276
flat angles C4'-P-C4' energy: -156.521
flat angles P-C4'-P energy: -106.986
tors. eta vs tors. theta energy: -193.501
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: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2151.228654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.228654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.358439 (E_RNA)
where:
Base-Base interactions energy: -1418.205
where: short stacking energy: -616.354
Base-Backbone interact. energy: 1.350
local terms energy: -736.503669
where:
bonds (distance) C4'-P energy: -162.645
bonds (distance) P-C4' energy: -131.699
flat angles C4'-P-C4' energy: -158.164
flat angles P-C4'-P energy: -102.522
tors. eta vs tors. theta energy: -181.474
Dist. restrs. and SS energy: 2.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2070.864392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.864392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.416644 (E_RNA)
where:
Base-Base interactions energy: -1396.731
where: short stacking energy: -610.845
Base-Backbone interact. energy: -2.890
local terms energy: -672.795610
where:
bonds (distance) C4'-P energy: -143.808
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -138.972
flat angles P-C4'-P energy: -92.825
tors. eta vs tors. theta energy: -159.388
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: 182
Temperature: 1.250000
Total energy: -2040.740481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.740481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.145188 (E_RNA)
where:
Base-Base interactions energy: -1385.764
where: short stacking energy: -589.676
Base-Backbone interact. energy: 6.677
local terms energy: -664.058832
where:
bonds (distance) C4'-P energy: -115.505
bonds (distance) P-C4' energy: -125.564
flat angles C4'-P-C4' energy: -154.188
flat angles P-C4'-P energy: -119.397
tors. eta vs tors. theta energy: -149.405
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: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1867.705796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.705796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.860656 (E_RNA)
where:
Base-Base interactions energy: -1254.192
where: short stacking energy: -527.004
Base-Backbone interact. energy: 3.880
local terms energy: -621.548892
where:
bonds (distance) C4'-P energy: -124.970
bonds (distance) P-C4' energy: -133.733
flat angles C4'-P-C4' energy: -142.389
flat angles P-C4'-P energy: -94.274
tors. eta vs tors. theta energy: -126.184
Dist. restrs. and SS energy: 4.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1882.898861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.898861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.226463 (E_RNA)
where:
Base-Base interactions energy: -1288.290
where: short stacking energy: -549.983
Base-Backbone interact. energy: 3.876
local terms energy: -600.813233
where:
bonds (distance) C4'-P energy: -124.442
bonds (distance) P-C4' energy: -133.791
flat angles C4'-P-C4' energy: -133.149
flat angles P-C4'-P energy: -70.916
tors. eta vs tors. theta energy: -138.516
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: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2820.082373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.082373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.316027 (E_RNA)
where:
Base-Base interactions energy: -1937.603
where: short stacking energy: -799.438
Base-Backbone interact. energy: -4.433
local terms energy: -879.280350
where:
bonds (distance) C4'-P energy: -159.002
bonds (distance) P-C4' energy: -169.819
flat angles C4'-P-C4' energy: -189.527
flat angles P-C4'-P energy: -125.298
tors. eta vs tors. theta energy: -235.635
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: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2708.397853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.397853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.847841 (E_RNA)
where:
Base-Base interactions energy: -1848.263
where: short stacking energy: -799.281
Base-Backbone interact. energy: 3.762
local terms energy: -865.345916
where:
bonds (distance) C4'-P energy: -152.951
bonds (distance) P-C4' energy: -161.532
flat angles C4'-P-C4' energy: -183.112
flat angles P-C4'-P energy: -131.270
tors. eta vs tors. theta energy: -236.482
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2494.866130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.866130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.262227 (E_RNA)
where:
Base-Base interactions energy: -1681.734
where: short stacking energy: -725.459
Base-Backbone interact. energy: -3.086
local terms energy: -811.442532
where:
bonds (distance) C4'-P energy: -157.619
bonds (distance) P-C4' energy: -152.240
flat angles C4'-P-C4' energy: -181.159
flat angles P-C4'-P energy: -115.967
tors. eta vs tors. theta energy: -204.458
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: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2482.625718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.625718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.710949 (E_RNA)
where:
Base-Base interactions energy: -1705.433
where: short stacking energy: -727.075
Base-Backbone interact. energy: 2.942
local terms energy: -782.220577
where:
bonds (distance) C4'-P energy: -144.188
bonds (distance) P-C4' energy: -156.956
flat angles C4'-P-C4' energy: -167.593
flat angles P-C4'-P energy: -102.741
tors. eta vs tors. theta energy: -210.742
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: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2360.378594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.378594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.800463 (E_RNA)
where:
Base-Base interactions energy: -1598.574
where: short stacking energy: -702.798
Base-Backbone interact. energy: -1.855
local terms energy: -761.371636
where:
bonds (distance) C4'-P energy: -141.879
bonds (distance) P-C4' energy: -142.079
flat angles C4'-P-C4' energy: -177.495
flat angles P-C4'-P energy: -112.160
tors. eta vs tors. theta energy: -187.758
Dist. restrs. and SS energy: 1.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2175.784813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.784813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.756771 (E_RNA)
where:
Base-Base interactions energy: -1448.335
where: short stacking energy: -630.592
Base-Backbone interact. energy: 0.134
local terms energy: -730.556325
where:
bonds (distance) C4'-P energy: -149.898
bonds (distance) P-C4' energy: -145.337
flat angles C4'-P-C4' energy: -162.833
flat angles P-C4'-P energy: -103.857
tors. eta vs tors. theta energy: -168.632
Dist. restrs. and SS energy: 2.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2155.911715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.911715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.588375 (E_RNA)
where:
Base-Base interactions energy: -1437.241
where: short stacking energy: -647.982
Base-Backbone interact. energy: -1.140
local terms energy: -719.207343
where:
bonds (distance) C4'-P energy: -147.328
bonds (distance) P-C4' energy: -148.545
flat angles C4'-P-C4' energy: -167.264
flat angles P-C4'-P energy: -85.103
tors. eta vs tors. theta energy: -170.968
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: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2016.641152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.641152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.213046 (E_RNA)
where:
Base-Base interactions energy: -1337.326
where: short stacking energy: -579.451
Base-Backbone interact. energy: 3.372
local terms energy: -685.258831
where:
bonds (distance) C4'-P energy: -118.114
bonds (distance) P-C4' energy: -151.519
flat angles C4'-P-C4' energy: -149.930
flat angles P-C4'-P energy: -92.885
tors. eta vs tors. theta energy: -172.811
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: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1970.672534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.672534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.930322 (E_RNA)
where:
Base-Base interactions energy: -1311.880
where: short stacking energy: -554.835
Base-Backbone interact. energy: -2.650
local terms energy: -659.400516
where:
bonds (distance) C4'-P energy: -133.161
bonds (distance) P-C4' energy: -140.035
flat angles C4'-P-C4' energy: -156.147
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -143.946
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: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1842.746784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.746784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.444890 (E_RNA)
where:
Base-Base interactions energy: -1246.006
where: short stacking energy: -532.018
Base-Backbone interact. energy: -3.788
local terms energy: -603.650707
where:
bonds (distance) C4'-P energy: -115.963
bonds (distance) P-C4' energy: -134.597
flat angles C4'-P-C4' energy: -119.069
flat angles P-C4'-P energy: -91.669
tors. eta vs tors. theta energy: -142.353
Dist. restrs. and SS energy: 10.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2837.938723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.938723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.622872 (E_RNA)
where:
Base-Base interactions energy: -1965.392
where: short stacking energy: -858.548
Base-Backbone interact. energy: -3.723
local terms energy: -869.507972
where:
bonds (distance) C4'-P energy: -144.318
bonds (distance) P-C4' energy: -163.681
flat angles C4'-P-C4' energy: -181.445
flat angles P-C4'-P energy: -125.665
tors. eta vs tors. theta energy: -254.399
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2717.424342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.424342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.218609 (E_RNA)
where:
Base-Base interactions energy: -1850.305
where: short stacking energy: -774.680
Base-Backbone interact. energy: -2.258
local terms energy: -866.655557
where:
bonds (distance) C4'-P energy: -170.819
bonds (distance) P-C4' energy: -158.504
flat angles C4'-P-C4' energy: -170.237
flat angles P-C4'-P energy: -139.547
tors. eta vs tors. theta energy: -227.549
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: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2524.473433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.473433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.856236 (E_RNA)
where:
Base-Base interactions energy: -1716.651
where: short stacking energy: -752.169
Base-Backbone interact. energy: 3.979
local terms energy: -813.184599
where:
bonds (distance) C4'-P energy: -144.174
bonds (distance) P-C4' energy: -166.039
flat angles C4'-P-C4' energy: -164.847
flat angles P-C4'-P energy: -129.403
tors. eta vs tors. theta energy: -208.722
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: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2450.167432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.167432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.519962 (E_RNA)
where:
Base-Base interactions energy: -1666.291
where: short stacking energy: -742.007
Base-Backbone interact. energy: 1.360
local terms energy: -786.588644
where:
bonds (distance) C4'-P energy: -143.231
bonds (distance) P-C4' energy: -168.545
flat angles C4'-P-C4' energy: -170.019
flat angles P-C4'-P energy: -96.221
tors. eta vs tors. theta energy: -208.573
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: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2332.858054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.858054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.475858 (E_RNA)
where:
Base-Base interactions energy: -1581.452
where: short stacking energy: -692.715
Base-Backbone interact. energy: 0.250
local terms energy: -754.273371
where:
bonds (distance) C4'-P energy: -143.598
bonds (distance) P-C4' energy: -148.313
flat angles C4'-P-C4' energy: -170.091
flat angles P-C4'-P energy: -105.413
tors. eta vs tors. theta energy: -186.859
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: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2193.909742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.909742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.901663 (E_RNA)
where:
Base-Base interactions energy: -1473.986
where: short stacking energy: -639.081
Base-Backbone interact. energy: -0.422
local terms energy: -722.493916
where:
bonds (distance) C4'-P energy: -136.096
bonds (distance) P-C4' energy: -126.275
flat angles C4'-P-C4' energy: -159.777
flat angles P-C4'-P energy: -111.497
tors. eta vs tors. theta energy: -188.849
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2145.633862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.633862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.578941 (E_RNA)
where:
Base-Base interactions energy: -1454.115
where: short stacking energy: -628.507
Base-Backbone interact. energy: 0.675
local terms energy: -695.138977
where:
bonds (distance) C4'-P energy: -116.193
bonds (distance) P-C4' energy: -135.605
flat angles C4'-P-C4' energy: -155.701
flat angles P-C4'-P energy: -119.076
tors. eta vs tors. theta energy: -168.563
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: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2048.103159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.103159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.018432 (E_RNA)
where:
Base-Base interactions energy: -1375.700
where: short stacking energy: -593.891
Base-Backbone interact. energy: 2.526
local terms energy: -676.844133
where:
bonds (distance) C4'-P energy: -132.482
bonds (distance) P-C4' energy: -145.012
flat angles C4'-P-C4' energy: -148.428
flat angles P-C4'-P energy: -93.962
tors. eta vs tors. theta energy: -156.960
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: 9, replica: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1917.431921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.431921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.367782 (E_RNA)
where:
Base-Base interactions energy: -1290.034
where: short stacking energy: -545.087
Base-Backbone interact. energy: 1.661
local terms energy: -631.995421
where:
bonds (distance) C4'-P energy: -111.602
bonds (distance) P-C4' energy: -129.969
flat angles C4'-P-C4' energy: -144.730
flat angles P-C4'-P energy: -104.434
tors. eta vs tors. theta energy: -141.261
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1840.480265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.480265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.746842 (E_RNA)
where:
Base-Base interactions energy: -1270.511
where: short stacking energy: -540.720
Base-Backbone interact. energy: -0.638
local terms energy: -574.597681
where:
bonds (distance) C4'-P energy: -98.927
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -118.115
flat angles P-C4'-P energy: -90.892
tors. eta vs tors. theta energy: -132.382
Dist. restrs. and SS energy: 5.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2820.485272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.037087 (E_RNA)
where:
Base-Base interactions energy: -1922.080
where: short stacking energy: -793.931
Base-Backbone interact. energy: -1.891
local terms energy: -898.065643
where:
bonds (distance) C4'-P energy: -168.473
bonds (distance) P-C4' energy: -175.448
flat angles C4'-P-C4' energy: -187.914
flat angles P-C4'-P energy: -125.090
tors. eta vs tors. theta energy: -241.140
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2735.206825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.206825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.677294 (E_RNA)
where:
Base-Base interactions energy: -1882.620
where: short stacking energy: -809.072
Base-Backbone interact. energy: -2.391
local terms energy: -851.666112
where:
bonds (distance) C4'-P energy: -154.812
bonds (distance) P-C4' energy: -148.819
flat angles C4'-P-C4' energy: -171.152
flat angles P-C4'-P energy: -130.433
tors. eta vs tors. theta energy: -246.450
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: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2549.125610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.125610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.915041 (E_RNA)
where:
Base-Base interactions energy: -1730.742
where: short stacking energy: -742.967
Base-Backbone interact. energy: 3.610
local terms energy: -824.782726
where:
bonds (distance) C4'-P energy: -158.699
bonds (distance) P-C4' energy: -157.110
flat angles C4'-P-C4' energy: -181.475
flat angles P-C4'-P energy: -104.627
tors. eta vs tors. theta energy: -222.873
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2444.402775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.402775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.375315 (E_RNA)
where:
Base-Base interactions energy: -1662.830
where: short stacking energy: -715.275
Base-Backbone interact. energy: -0.656
local terms energy: -782.889422
where:
bonds (distance) C4'-P energy: -141.158
bonds (distance) P-C4' energy: -157.636
flat angles C4'-P-C4' energy: -179.379
flat angles P-C4'-P energy: -106.163
tors. eta vs tors. theta energy: -198.553
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: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2337.749289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.749289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.986090 (E_RNA)
where:
Base-Base interactions energy: -1565.514
where: short stacking energy: -661.574
Base-Backbone interact. energy: -4.528
local terms energy: -769.944537
where:
bonds (distance) C4'-P energy: -152.676
bonds (distance) P-C4' energy: -138.912
flat angles C4'-P-C4' energy: -175.697
flat angles P-C4'-P energy: -110.131
tors. eta vs tors. theta energy: -192.528
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: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2230.936019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.936019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.842351 (E_RNA)
where:
Base-Base interactions energy: -1522.682
where: short stacking energy: -650.268
Base-Backbone interact. energy: -0.073
local terms energy: -710.087195
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -151.838
flat angles C4'-P-C4' energy: -158.574
flat angles P-C4'-P energy: -99.522
tors. eta vs tors. theta energy: -170.068
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: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2109.691228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.691228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.023774 (E_RNA)
where:
Base-Base interactions energy: -1397.610
where: short stacking energy: -599.800
Base-Backbone interact. energy: 7.789
local terms energy: -721.202650
where:
bonds (distance) C4'-P energy: -161.895
bonds (distance) P-C4' energy: -139.255
flat angles C4'-P-C4' energy: -167.632
flat angles P-C4'-P energy: -98.094
tors. eta vs tors. theta energy: -154.327
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: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2030.686116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.686116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.504835 (E_RNA)
where:
Base-Base interactions energy: -1358.505
where: short stacking energy: -597.287
Base-Backbone interact. energy: -1.005
local terms energy: -673.995306
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -137.009
flat angles C4'-P-C4' energy: -159.550
flat angles P-C4'-P energy: -81.300
tors. eta vs tors. theta energy: -169.092
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1934.145937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.145937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.505442 (E_RNA)
where:
Base-Base interactions energy: -1320.562
where: short stacking energy: -555.337
Base-Backbone interact. energy: -3.121
local terms energy: -614.821868
where:
bonds (distance) C4'-P energy: -114.595
bonds (distance) P-C4' energy: -123.972
flat angles C4'-P-C4' energy: -145.108
flat angles P-C4'-P energy: -78.689
tors. eta vs tors. theta energy: -152.457
Dist. restrs. and SS energy: 4.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1849.805467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.805467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.490590 (E_RNA)
where:
Base-Base interactions energy: -1250.722
where: short stacking energy: -514.868
Base-Backbone interact. energy: -0.072
local terms energy: -602.696143
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -127.085
flat angles C4'-P-C4' energy: -141.905
flat angles P-C4'-P energy: -81.107
tors. eta vs tors. theta energy: -127.436
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: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2817.288409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.288409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.866620 (E_RNA)
where:
Base-Base interactions energy: -1965.895
where: short stacking energy: -809.538
Base-Backbone interact. energy: -3.559
local terms energy: -849.412850
where:
bonds (distance) C4'-P energy: -154.542
bonds (distance) P-C4' energy: -152.634
flat angles C4'-P-C4' energy: -173.443
flat angles P-C4'-P energy: -128.852
tors. eta vs tors. theta energy: -239.943
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: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2732.695328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.695328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.013989 (E_RNA)
where:
Base-Base interactions energy: -1873.286
where: short stacking energy: -780.332
Base-Backbone interact. energy: -3.566
local terms energy: -858.161414
where:
bonds (distance) C4'-P energy: -165.434
bonds (distance) P-C4' energy: -157.180
flat angles C4'-P-C4' energy: -190.289
flat angles P-C4'-P energy: -114.833
tors. eta vs tors. theta energy: -230.426
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: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2582.804737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.804737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.779371 (E_RNA)
where:
Base-Base interactions energy: -1770.455
where: short stacking energy: -751.265
Base-Backbone interact. energy: 3.446
local terms energy: -817.770376
where:
bonds (distance) C4'-P energy: -167.601
bonds (distance) P-C4' energy: -168.093
flat angles C4'-P-C4' energy: -171.354
flat angles P-C4'-P energy: -96.773
tors. eta vs tors. theta energy: -213.949
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: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2411.983519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.983519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.792343 (E_RNA)
where:
Base-Base interactions energy: -1633.703
where: short stacking energy: -687.860
Base-Backbone interact. energy: -1.742
local terms energy: -779.346931
where:
bonds (distance) C4'-P energy: -141.029
bonds (distance) P-C4' energy: -154.611
flat angles C4'-P-C4' energy: -156.638
flat angles P-C4'-P energy: -117.673
tors. eta vs tors. theta energy: -209.396
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: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2263.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.065285 (E_RNA)
where:
Base-Base interactions energy: -1516.012
where: short stacking energy: -655.631
Base-Backbone interact. energy: 0.433
local terms energy: -749.486347
where:
bonds (distance) C4'-P energy: -127.528
bonds (distance) P-C4' energy: -140.167
flat angles C4'-P-C4' energy: -183.486
flat angles P-C4'-P energy: -107.964
tors. eta vs tors. theta energy: -190.341
Dist. restrs. and SS energy: 1.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2320.690172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.690172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.197569 (E_RNA)
where:
Base-Base interactions energy: -1565.414
where: short stacking energy: -685.543
Base-Backbone interact. energy: -2.392
local terms energy: -755.391110
where:
bonds (distance) C4'-P energy: -131.241
bonds (distance) P-C4' energy: -163.581
flat angles C4'-P-C4' energy: -152.257
flat angles P-C4'-P energy: -106.760
tors. eta vs tors. theta energy: -201.552
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: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2111.414391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.414391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.042730 (E_RNA)
where:
Base-Base interactions energy: -1471.489
where: short stacking energy: -620.883
Base-Backbone interact. energy: 0.319
local terms energy: -641.871996
where:
bonds (distance) C4'-P energy: -117.634
bonds (distance) P-C4' energy: -134.559
flat angles C4'-P-C4' energy: -146.090
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -170.935
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2019.396828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.396828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.156231 (E_RNA)
where:
Base-Base interactions energy: -1370.487
where: short stacking energy: -596.111
Base-Backbone interact. energy: -3.295
local terms energy: -648.373633
where:
bonds (distance) C4'-P energy: -129.314
bonds (distance) P-C4' energy: -136.387
flat angles C4'-P-C4' energy: -149.614
flat angles P-C4'-P energy: -87.007
tors. eta vs tors. theta energy: -146.051
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1904.575802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.575802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.019865 (E_RNA)
where:
Base-Base interactions energy: -1297.383
where: short stacking energy: -555.791
Base-Backbone interact. energy: 7.447
local terms energy: -623.083610
where:
bonds (distance) C4'-P energy: -116.598
bonds (distance) P-C4' energy: -144.685
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -72.310
tors. eta vs tors. theta energy: -149.239
Dist. restrs. and SS energy: 8.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1837.035344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.035344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.878412 (E_RNA)
where:
Base-Base interactions energy: -1252.787
where: short stacking energy: -512.560
Base-Backbone interact. energy: 2.497
local terms energy: -588.588140
where:
bonds (distance) C4'-P energy: -128.202
bonds (distance) P-C4' energy: -130.156
flat angles C4'-P-C4' energy: -150.595
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -106.748
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2820.072913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.072913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.802129 (E_RNA)
where:
Base-Base interactions energy: -1941.234
where: short stacking energy: -827.700
Base-Backbone interact. energy: -3.818
local terms energy: -876.750270
where:
bonds (distance) C4'-P energy: -166.932
bonds (distance) P-C4' energy: -160.828
flat angles C4'-P-C4' energy: -176.988
flat angles P-C4'-P energy: -121.912
tors. eta vs tors. theta energy: -250.091
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: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2758.995372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.995372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.531186 (E_RNA)
where:
Base-Base interactions energy: -1907.670
where: short stacking energy: -805.196
Base-Backbone interact. energy: 0.758
local terms energy: -853.619583
where:
bonds (distance) C4'-P energy: -145.437
bonds (distance) P-C4' energy: -154.228
flat angles C4'-P-C4' energy: -185.569
flat angles P-C4'-P energy: -116.445
tors. eta vs tors. theta energy: -251.940
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2500.293029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.293029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.469490 (E_RNA)
where:
Base-Base interactions energy: -1713.363
where: short stacking energy: -745.126
Base-Backbone interact. energy: 3.501
local terms energy: -793.607248
where:
bonds (distance) C4'-P energy: -134.516
bonds (distance) P-C4' energy: -151.624
flat angles C4'-P-C4' energy: -174.567
flat angles P-C4'-P energy: -116.393
tors. eta vs tors. theta energy: -216.506
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2451.912594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.912594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.747765 (E_RNA)
where:
Base-Base interactions energy: -1661.128
where: short stacking energy: -719.722
Base-Backbone interact. energy: 1.139
local terms energy: -793.758772
where:
bonds (distance) C4'-P energy: -138.358
bonds (distance) P-C4' energy: -155.424
flat angles C4'-P-C4' energy: -176.610
flat angles P-C4'-P energy: -116.495
tors. eta vs tors. theta energy: -206.871
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: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2235.705456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.705456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.832808 (E_RNA)
where:
Base-Base interactions energy: -1503.643
where: short stacking energy: -681.807
Base-Backbone interact. energy: 2.092
local terms energy: -736.281918
where:
bonds (distance) C4'-P energy: -137.009
bonds (distance) P-C4' energy: -147.448
flat angles C4'-P-C4' energy: -164.241
flat angles P-C4'-P energy: -106.538
tors. eta vs tors. theta energy: -181.046
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2298.931850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.931850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.014291 (E_RNA)
where:
Base-Base interactions energy: -1592.677
where: short stacking energy: -674.781
Base-Backbone interact. energy: 3.260
local terms energy: -711.597638
where:
bonds (distance) C4'-P energy: -128.371
bonds (distance) P-C4' energy: -140.620
flat angles C4'-P-C4' energy: -166.880
flat angles P-C4'-P energy: -102.665
tors. eta vs tors. theta energy: -173.061
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: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2098.337621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.337621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.858445 (E_RNA)
where:
Base-Base interactions energy: -1417.444
where: short stacking energy: -636.056
Base-Backbone interact. energy: 2.193
local terms energy: -685.607241
where:
bonds (distance) C4'-P energy: -138.129
bonds (distance) P-C4' energy: -136.537
flat angles C4'-P-C4' energy: -158.971
flat angles P-C4'-P energy: -88.792
tors. eta vs tors. theta energy: -163.178
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: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1979.174040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.174040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.726131 (E_RNA)
where:
Base-Base interactions energy: -1321.687
where: short stacking energy: -542.862
Base-Backbone interact. energy: -3.962
local terms energy: -656.077923
where:
bonds (distance) C4'-P energy: -126.872
bonds (distance) P-C4' energy: -142.650
flat angles C4'-P-C4' energy: -153.383
flat angles P-C4'-P energy: -98.059
tors. eta vs tors. theta energy: -135.114
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1931.789673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.789673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.431388 (E_RNA)
where:
Base-Base interactions energy: -1290.736
where: short stacking energy: -568.015
Base-Backbone interact. energy: -1.193
local terms energy: -645.502542
where:
bonds (distance) C4'-P energy: -111.819
bonds (distance) P-C4' energy: -132.678
flat angles C4'-P-C4' energy: -129.012
flat angles P-C4'-P energy: -106.450
tors. eta vs tors. theta energy: -165.545
Dist. restrs. and SS energy: 5.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1866.018664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.018664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.539616 (E_RNA)
where:
Base-Base interactions energy: -1284.625
where: short stacking energy: -513.169
Base-Backbone interact. energy: 1.863
local terms energy: -585.777206
where:
bonds (distance) C4'-P energy: -119.736
bonds (distance) P-C4' energy: -123.800
flat angles C4'-P-C4' energy: -139.268
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -123.374
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: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2821.970847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.970847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.135571 (E_RNA)
where:
Base-Base interactions energy: -1951.584
where: short stacking energy: -837.586
Base-Backbone interact. energy: -3.026
local terms energy: -869.525061
where:
bonds (distance) C4'-P energy: -160.032
bonds (distance) P-C4' energy: -174.769
flat angles C4'-P-C4' energy: -176.885
flat angles P-C4'-P energy: -119.067
tors. eta vs tors. theta energy: -238.772
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: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2756.162291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.162291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.191068 (E_RNA)
where:
Base-Base interactions energy: -1897.188
where: short stacking energy: -787.051
Base-Backbone interact. energy: -3.366
local terms energy: -856.636695
where:
bonds (distance) C4'-P energy: -144.908
bonds (distance) P-C4' energy: -164.547
flat angles C4'-P-C4' energy: -179.552
flat angles P-C4'-P energy: -116.849
tors. eta vs tors. theta energy: -250.781
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2549.219728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.219728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.622846 (E_RNA)
where:
Base-Base interactions energy: -1705.179
where: short stacking energy: -751.044
Base-Backbone interact. energy: 5.105
local terms energy: -851.548835
where:
bonds (distance) C4'-P energy: -178.755
bonds (distance) P-C4' energy: -148.346
flat angles C4'-P-C4' energy: -176.472
flat angles P-C4'-P energy: -136.297
tors. eta vs tors. theta energy: -211.679
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2406.380708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.380708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.658209 (E_RNA)
where:
Base-Base interactions energy: -1628.242
where: short stacking energy: -682.189
Base-Backbone interact. energy: 0.567
local terms energy: -779.983435
where:
bonds (distance) C4'-P energy: -141.809
bonds (distance) P-C4' energy: -159.889
flat angles C4'-P-C4' energy: -166.093
flat angles P-C4'-P energy: -119.827
tors. eta vs tors. theta energy: -192.365
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2379.059719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.059719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.800303 (E_RNA)
where:
Base-Base interactions energy: -1620.796
where: short stacking energy: -697.403
Base-Backbone interact. energy: 2.872
local terms energy: -762.876995
where:
bonds (distance) C4'-P energy: -144.005
bonds (distance) P-C4' energy: -155.071
flat angles C4'-P-C4' energy: -165.982
flat angles P-C4'-P energy: -114.823
tors. eta vs tors. theta energy: -182.997
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: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2197.763159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.763159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.352562 (E_RNA)
where:
Base-Base interactions energy: -1480.559
where: short stacking energy: -613.563
Base-Backbone interact. energy: 0.637
local terms energy: -719.429945
where:
bonds (distance) C4'-P energy: -124.925
bonds (distance) P-C4' energy: -147.139
flat angles C4'-P-C4' energy: -162.910
flat angles P-C4'-P energy: -105.995
tors. eta vs tors. theta energy: -178.462
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: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2095.331224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.331224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.559098 (E_RNA)
where:
Base-Base interactions energy: -1436.216
where: short stacking energy: -599.215
Base-Backbone interact. energy: -3.986
local terms energy: -657.357578
where:
bonds (distance) C4'-P energy: -129.307
bonds (distance) P-C4' energy: -121.827
flat angles C4'-P-C4' energy: -146.245
flat angles P-C4'-P energy: -100.851
tors. eta vs tors. theta energy: -159.128
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2076.950561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.950561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.341093 (E_RNA)
where:
Base-Base interactions energy: -1411.873
where: short stacking energy: -614.265
Base-Backbone interact. energy: 2.938
local terms energy: -670.405386
where:
bonds (distance) C4'-P energy: -129.500
bonds (distance) P-C4' energy: -125.303
flat angles C4'-P-C4' energy: -151.092
flat angles P-C4'-P energy: -93.386
tors. eta vs tors. theta energy: -171.124
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: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1925.178493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.178493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.156568 (E_RNA)
where:
Base-Base interactions energy: -1302.314
where: short stacking energy: -565.918
Base-Backbone interact. energy: 0.080
local terms energy: -626.923384
where:
bonds (distance) C4'-P energy: -126.194
bonds (distance) P-C4' energy: -147.812
flat angles C4'-P-C4' energy: -125.836
flat angles P-C4'-P energy: -82.808
tors. eta vs tors. theta energy: -144.273
Dist. restrs. and SS energy: 3.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1825.685455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.685455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.010021 (E_RNA)
where:
Base-Base interactions energy: -1223.552
where: short stacking energy: -490.521
Base-Backbone interact. energy: -0.286
local terms energy: -609.171869
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -138.429
flat angles C4'-P-C4' energy: -140.286
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -131.268
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: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2842.892617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.892617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.135727 (E_RNA)
where:
Base-Base interactions energy: -1972.295
where: short stacking energy: -845.981
Base-Backbone interact. energy: -1.839
local terms energy: -870.001201
where:
bonds (distance) C4'-P energy: -151.237
bonds (distance) P-C4' energy: -152.070
flat angles C4'-P-C4' energy: -183.569
flat angles P-C4'-P energy: -129.928
tors. eta vs tors. theta energy: -253.198
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2769.106789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.106789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.029932 (E_RNA)
where:
Base-Base interactions energy: -1898.530
where: short stacking energy: -810.268
Base-Backbone interact. energy: -2.452
local terms energy: -870.048280
where:
bonds (distance) C4'-P energy: -152.975
bonds (distance) P-C4' energy: -162.960
flat angles C4'-P-C4' energy: -184.705
flat angles P-C4'-P energy: -129.784
tors. eta vs tors. theta energy: -239.625
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2547.955519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.955519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.222194 (E_RNA)
where:
Base-Base interactions energy: -1725.123
where: short stacking energy: -755.504
Base-Backbone interact. energy: -1.402
local terms energy: -824.697268
where:
bonds (distance) C4'-P energy: -159.512
bonds (distance) P-C4' energy: -155.965
flat angles C4'-P-C4' energy: -174.844
flat angles P-C4'-P energy: -116.494
tors. eta vs tors. theta energy: -217.882
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2486.325444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.325444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.975121 (E_RNA)
where:
Base-Base interactions energy: -1666.655
where: short stacking energy: -697.861
Base-Backbone interact. energy: -4.139
local terms energy: -817.181949
where:
bonds (distance) C4'-P energy: -158.062
bonds (distance) P-C4' energy: -161.573
flat angles C4'-P-C4' energy: -172.651
flat angles P-C4'-P energy: -119.206
tors. eta vs tors. theta energy: -205.690
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2326.167684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.167684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.239742 (E_RNA)
where:
Base-Base interactions energy: -1582.597
where: short stacking energy: -664.510
Base-Backbone interact. energy: -1.406
local terms energy: -744.236443
where:
bonds (distance) C4'-P energy: -135.049
bonds (distance) P-C4' energy: -144.609
flat angles C4'-P-C4' energy: -175.338
flat angles P-C4'-P energy: -101.740
tors. eta vs tors. theta energy: -187.500
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2165.683633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.683633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.646066 (E_RNA)
where:
Base-Base interactions energy: -1417.540
where: short stacking energy: -611.084
Base-Backbone interact. energy: -2.195
local terms energy: -747.910853
where:
bonds (distance) C4'-P energy: -144.098
bonds (distance) P-C4' energy: -151.740
flat angles C4'-P-C4' energy: -167.156
flat angles P-C4'-P energy: -116.216
tors. eta vs tors. theta energy: -168.701
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2112.011130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.011130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.920646 (E_RNA)
where:
Base-Base interactions energy: -1436.693
where: short stacking energy: -619.909
Base-Backbone interact. energy: -0.210
local terms energy: -677.018361
where:
bonds (distance) C4'-P energy: -116.180
bonds (distance) P-C4' energy: -144.275
flat angles C4'-P-C4' energy: -164.219
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -158.582
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: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2108.665361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.665361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.452225 (E_RNA)
where:
Base-Base interactions energy: -1418.543
where: short stacking energy: -625.177
Base-Backbone interact. energy: 0.243
local terms energy: -694.151709
where:
bonds (distance) C4'-P energy: -124.537
bonds (distance) P-C4' energy: -147.682
flat angles C4'-P-C4' energy: -150.936
flat angles P-C4'-P energy: -96.563
tors. eta vs tors. theta energy: -174.433
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: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1945.644182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.644182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.974616 (E_RNA)
where:
Base-Base interactions energy: -1332.008
where: short stacking energy: -539.162
Base-Backbone interact. energy: -0.637
local terms energy: -615.329710
where:
bonds (distance) C4'-P energy: -130.107
bonds (distance) P-C4' energy: -127.258
flat angles C4'-P-C4' energy: -140.141
flat angles P-C4'-P energy: -64.528
tors. eta vs tors. theta energy: -153.296
Dist. restrs. and SS energy: 2.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1750.924077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.924077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.887224 (E_RNA)
where:
Base-Base interactions energy: -1186.232
where: short stacking energy: -488.415
Base-Backbone interact. energy: -2.367
local terms energy: -566.287857
where:
bonds (distance) C4'-P energy: -123.738
bonds (distance) P-C4' energy: -123.820
flat angles C4'-P-C4' energy: -140.731
flat angles P-C4'-P energy: -60.082
tors. eta vs tors. theta energy: -117.917
Dist. restrs. and SS energy: 3.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2826.736125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.736125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.971766 (E_RNA)
where:
Base-Base interactions energy: -1948.141
where: short stacking energy: -824.394
Base-Backbone interact. energy: -3.228
local terms energy: -876.603352
where:
bonds (distance) C4'-P energy: -152.252
bonds (distance) P-C4' energy: -173.475
flat angles C4'-P-C4' energy: -184.496
flat angles P-C4'-P energy: -129.051
tors. eta vs tors. theta energy: -237.330
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2755.540209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.540209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.153495 (E_RNA)
where:
Base-Base interactions energy: -1897.001
where: short stacking energy: -799.908
Base-Backbone interact. energy: -3.488
local terms energy: -856.663897
where:
bonds (distance) C4'-P energy: -160.839
bonds (distance) P-C4' energy: -164.476
flat angles C4'-P-C4' energy: -174.897
flat angles P-C4'-P energy: -113.491
tors. eta vs tors. theta energy: -242.961
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: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2546.759946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.401962 (E_RNA)
where:
Base-Base interactions energy: -1741.020
where: short stacking energy: -738.993
Base-Backbone interact. energy: -2.050
local terms energy: -806.331829
where:
bonds (distance) C4'-P energy: -151.826
bonds (distance) P-C4' energy: -151.211
flat angles C4'-P-C4' energy: -172.689
flat angles P-C4'-P energy: -105.400
tors. eta vs tors. theta energy: -225.206
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: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2512.923838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.923838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.275301 (E_RNA)
where:
Base-Base interactions energy: -1721.318
where: short stacking energy: -720.702
Base-Backbone interact. energy: -3.490
local terms energy: -789.467585
where:
bonds (distance) C4'-P energy: -145.259
bonds (distance) P-C4' energy: -154.522
flat angles C4'-P-C4' energy: -174.568
flat angles P-C4'-P energy: -118.250
tors. eta vs tors. theta energy: -196.868
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: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2277.533772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.533772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.818739 (E_RNA)
where:
Base-Base interactions energy: -1548.685
where: short stacking energy: -677.796
Base-Backbone interact. energy: 0.351
local terms energy: -730.484708
where:
bonds (distance) C4'-P energy: -125.408
bonds (distance) P-C4' energy: -148.052
flat angles C4'-P-C4' energy: -156.451
flat angles P-C4'-P energy: -102.748
tors. eta vs tors. theta energy: -197.826
Dist. restrs. and SS energy: 1.285 (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: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2116.625932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.625932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.914911 (E_RNA)
where:
Base-Base interactions energy: -1411.731
where: short stacking energy: -631.595
Base-Backbone interact. energy: 1.337
local terms energy: -708.520356
where:
bonds (distance) C4'-P energy: -131.360
bonds (distance) P-C4' energy: -136.240
flat angles C4'-P-C4' energy: -176.826
flat angles P-C4'-P energy: -88.665
tors. eta vs tors. theta energy: -175.429
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: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2131.421848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.421848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.521424 (E_RNA)
where:
Base-Base interactions energy: -1423.665
where: short stacking energy: -614.754
Base-Backbone interact. energy: -3.891
local terms energy: -706.965150
where:
bonds (distance) C4'-P energy: -140.800
bonds (distance) P-C4' energy: -137.714
flat angles C4'-P-C4' energy: -165.294
flat angles P-C4'-P energy: -95.815
tors. eta vs tors. theta energy: -167.342
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: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2042.836069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.836069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.330733 (E_RNA)
where:
Base-Base interactions energy: -1353.376
where: short stacking energy: -589.911
Base-Backbone interact. energy: 0.085
local terms energy: -693.040489
where:
bonds (distance) C4'-P energy: -134.243
bonds (distance) P-C4' energy: -138.311
flat angles C4'-P-C4' energy: -152.874
flat angles P-C4'-P energy: -105.419
tors. eta vs tors. theta energy: -162.193
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: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1960.856147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.856147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.276868 (E_RNA)
where:
Base-Base interactions energy: -1349.822
where: short stacking energy: -574.986
Base-Backbone interact. energy: -0.796
local terms energy: -612.658505
where:
bonds (distance) C4'-P energy: -128.401
bonds (distance) P-C4' energy: -125.995
flat angles C4'-P-C4' energy: -124.905
flat angles P-C4'-P energy: -81.570
tors. eta vs tors. theta energy: -151.788
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1828.343497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.343497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.080512 (E_RNA)
where:
Base-Base interactions energy: -1228.346
where: short stacking energy: -489.239
Base-Backbone interact. energy: 0.699
local terms energy: -606.433748
where:
bonds (distance) C4'-P energy: -122.612
bonds (distance) P-C4' energy: -144.552
flat angles C4'-P-C4' energy: -123.281
flat angles P-C4'-P energy: -104.893
tors. eta vs tors. theta energy: -111.096
Dist. restrs. and SS energy: 5.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2813.701589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.701589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.058491 (E_RNA)
where:
Base-Base interactions energy: -1944.551
where: short stacking energy: -795.686
Base-Backbone interact. energy: -1.015
local terms energy: -869.492188
where:
bonds (distance) C4'-P energy: -171.637
bonds (distance) P-C4' energy: -159.793
flat angles C4'-P-C4' energy: -185.999
flat angles P-C4'-P energy: -121.122
tors. eta vs tors. theta energy: -230.940
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: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2740.228792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.228792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.643162 (E_RNA)
where:
Base-Base interactions energy: -1891.144
where: short stacking energy: -805.711
Base-Backbone interact. energy: -2.454
local terms energy: -849.045608
where:
bonds (distance) C4'-P energy: -157.091
bonds (distance) P-C4' energy: -160.708
flat angles C4'-P-C4' energy: -184.731
flat angles P-C4'-P energy: -115.886
tors. eta vs tors. theta energy: -230.630
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: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2552.233247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.233247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.139338 (E_RNA)
where:
Base-Base interactions energy: -1748.839
where: short stacking energy: -782.219
Base-Backbone interact. energy: -4.541
local terms energy: -801.759802
where:
bonds (distance) C4'-P energy: -130.567
bonds (distance) P-C4' energy: -140.939
flat angles C4'-P-C4' energy: -177.203
flat angles P-C4'-P energy: -128.421
tors. eta vs tors. theta energy: -224.629
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: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2518.273855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.273855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.760240 (E_RNA)
where:
Base-Base interactions energy: -1737.563
where: short stacking energy: -725.336
Base-Backbone interact. energy: 0.398
local terms energy: -783.594686
where:
bonds (distance) C4'-P energy: -154.881
bonds (distance) P-C4' energy: -120.180
flat angles C4'-P-C4' energy: -191.105
flat angles P-C4'-P energy: -112.479
tors. eta vs tors. theta energy: -204.950
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2349.318548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.318548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.861879 (E_RNA)
where:
Base-Base interactions energy: -1609.504
where: short stacking energy: -710.864
Base-Backbone interact. energy: -2.140
local terms energy: -740.217638
where:
bonds (distance) C4'-P energy: -145.553
bonds (distance) P-C4' energy: -157.468
flat angles C4'-P-C4' energy: -154.598
flat angles P-C4'-P energy: -103.620
tors. eta vs tors. theta energy: -178.979
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: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2227.383543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.383543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.831033 (E_RNA)
where:
Base-Base interactions energy: -1481.277
where: short stacking energy: -621.550
Base-Backbone interact. energy: 1.435
local terms energy: -749.989211
where:
bonds (distance) C4'-P energy: -133.387
bonds (distance) P-C4' energy: -155.946
flat angles C4'-P-C4' energy: -169.279
flat angles P-C4'-P energy: -102.125
tors. eta vs tors. theta energy: -189.253
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: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2073.465042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.465042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.200880 (E_RNA)
where:
Base-Base interactions energy: -1411.805
where: short stacking energy: -616.401
Base-Backbone interact. energy: -1.779
local terms energy: -661.616597
where:
bonds (distance) C4'-P energy: -124.181
bonds (distance) P-C4' energy: -144.674
flat angles C4'-P-C4' energy: -150.015
flat angles P-C4'-P energy: -74.982
tors. eta vs tors. theta energy: -167.764
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2037.650457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.650457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.032427 (E_RNA)
where:
Base-Base interactions energy: -1385.573
where: short stacking energy: -563.172
Base-Backbone interact. energy: 2.660
local terms energy: -656.119493
where:
bonds (distance) C4'-P energy: -131.570
bonds (distance) P-C4' energy: -124.159
flat angles C4'-P-C4' energy: -146.967
flat angles P-C4'-P energy: -108.396
tors. eta vs tors. theta energy: -145.028
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: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1950.883364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.883364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.609524 (E_RNA)
where:
Base-Base interactions energy: -1355.158
where: short stacking energy: -583.277
Base-Backbone interact. energy: 0.459
local terms energy: -597.910115
where:
bonds (distance) C4'-P energy: -118.869
bonds (distance) P-C4' energy: -91.378
flat angles C4'-P-C4' energy: -159.631
flat angles P-C4'-P energy: -77.960
tors. eta vs tors. theta energy: -150.072
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1851.382013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.382013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.734727 (E_RNA)
where:
Base-Base interactions energy: -1241.488
where: short stacking energy: -501.542
Base-Backbone interact. energy: -4.355
local terms energy: -608.891725
where:
bonds (distance) C4'-P energy: -134.550
bonds (distance) P-C4' energy: -123.756
flat angles C4'-P-C4' energy: -137.907
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -137.607
Dist. restrs. and SS energy: 3.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2832.319094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.319094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.899550 (E_RNA)
where:
Base-Base interactions energy: -1957.973
where: short stacking energy: -815.590
Base-Backbone interact. energy: -3.637
local terms energy: -871.289897
where:
bonds (distance) C4'-P energy: -156.205
bonds (distance) P-C4' energy: -169.916
flat angles C4'-P-C4' energy: -183.065
flat angles P-C4'-P energy: -128.969
tors. eta vs tors. theta energy: -233.136
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2748.186744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.186744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.246266 (E_RNA)
where:
Base-Base interactions energy: -1895.659
where: short stacking energy: -789.973
Base-Backbone interact. energy: -2.148
local terms energy: -851.439631
where:
bonds (distance) C4'-P energy: -147.099
bonds (distance) P-C4' energy: -160.774
flat angles C4'-P-C4' energy: -190.820
flat angles P-C4'-P energy: -104.852
tors. eta vs tors. theta energy: -247.894
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: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2590.383233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.313044 (E_RNA)
where:
Base-Base interactions energy: -1759.359
where: short stacking energy: -780.709
Base-Backbone interact. energy: -1.998
local terms energy: -831.956037
where:
bonds (distance) C4'-P energy: -149.520
bonds (distance) P-C4' energy: -146.199
flat angles C4'-P-C4' energy: -183.433
flat angles P-C4'-P energy: -122.014
tors. eta vs tors. theta energy: -230.790
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2475.861494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.861494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.619212 (E_RNA)
where:
Base-Base interactions energy: -1682.559
where: short stacking energy: -744.734
Base-Backbone interact. energy: -4.627
local terms energy: -792.434154
where:
bonds (distance) C4'-P energy: -145.484
bonds (distance) P-C4' energy: -150.677
flat angles C4'-P-C4' energy: -171.720
flat angles P-C4'-P energy: -110.487
tors. eta vs tors. theta energy: -214.066
Dist. restrs. and SS energy: 3.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2455.722768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.722768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.769143 (E_RNA)
where:
Base-Base interactions energy: -1689.041
where: short stacking energy: -722.814
Base-Backbone interact. energy: -0.838
local terms energy: -767.889580
where:
bonds (distance) C4'-P energy: -106.422
bonds (distance) P-C4' energy: -165.815
flat angles C4'-P-C4' energy: -170.346
flat angles P-C4'-P energy: -115.310
tors. eta vs tors. theta energy: -209.996
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: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2197.131563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.131563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.169891 (E_RNA)
where:
Base-Base interactions energy: -1479.048
where: short stacking energy: -662.156
Base-Backbone interact. energy: -3.047
local terms energy: -718.074701
where:
bonds (distance) C4'-P energy: -139.310
bonds (distance) P-C4' energy: -141.908
flat angles C4'-P-C4' energy: -150.322
flat angles P-C4'-P energy: -106.508
tors. eta vs tors. theta energy: -180.026
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: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2146.926490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.926490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.023476 (E_RNA)
where:
Base-Base interactions energy: -1436.061
where: short stacking energy: -608.367
Base-Backbone interact. energy: -1.348
local terms energy: -711.614019
where:
bonds (distance) C4'-P energy: -136.590
bonds (distance) P-C4' energy: -148.105
flat angles C4'-P-C4' energy: -158.714
flat angles P-C4'-P energy: -99.592
tors. eta vs tors. theta energy: -168.613
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: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2018.499411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.499411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.148367 (E_RNA)
where:
Base-Base interactions energy: -1374.075
where: short stacking energy: -607.412
Base-Backbone interact. energy: 6.322
local terms energy: -653.396247
where:
bonds (distance) C4'-P energy: -119.171
bonds (distance) P-C4' energy: -135.051
flat angles C4'-P-C4' energy: -157.091
flat angles P-C4'-P energy: -75.572
tors. eta vs tors. theta energy: -166.511
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: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1967.878192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.878192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.104597 (E_RNA)
where:
Base-Base interactions energy: -1315.747
where: short stacking energy: -567.239
Base-Backbone interact. energy: -2.860
local terms energy: -653.497093
where:
bonds (distance) C4'-P energy: -139.563
bonds (distance) P-C4' energy: -128.212
flat angles C4'-P-C4' energy: -148.854
flat angles P-C4'-P energy: -98.879
tors. eta vs tors. theta energy: -137.990
Dist. restrs. and SS energy: 4.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1833.208891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.208891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.076400 (E_RNA)
where:
Base-Base interactions energy: -1246.685
where: short stacking energy: -528.271
Base-Backbone interact. energy: 2.030
local terms energy: -593.421006
where:
bonds (distance) C4'-P energy: -117.885
bonds (distance) P-C4' energy: -133.980
flat angles C4'-P-C4' energy: -123.237
flat angles P-C4'-P energy: -87.066
tors. eta vs tors. theta energy: -131.252
Dist. restrs. and SS energy: 4.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2823.624822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.624822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.439616 (E_RNA)
where:
Base-Base interactions energy: -1938.507
where: short stacking energy: -810.609
Base-Backbone interact. energy: 1.493
local terms energy: -888.425653
where:
bonds (distance) C4'-P energy: -167.292
bonds (distance) P-C4' energy: -162.224
flat angles C4'-P-C4' energy: -186.517
flat angles P-C4'-P energy: -133.570
tors. eta vs tors. theta energy: -238.823
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: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2717.759631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.759631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.540108 (E_RNA)
where:
Base-Base interactions energy: -1890.727
where: short stacking energy: -744.991
Base-Backbone interact. energy: 4.868
local terms energy: -833.681426
where:
bonds (distance) C4'-P energy: -156.750
bonds (distance) P-C4' energy: -151.592
flat angles C4'-P-C4' energy: -183.444
flat angles P-C4'-P energy: -114.507
tors. eta vs tors. theta energy: -227.390
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2619.539270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.539270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.047101 (E_RNA)
where:
Base-Base interactions energy: -1824.831
where: short stacking energy: -746.286
Base-Backbone interact. energy: 0.834
local terms energy: -797.049744
where:
bonds (distance) C4'-P energy: -154.364
bonds (distance) P-C4' energy: -159.195
flat angles C4'-P-C4' energy: -171.040
flat angles P-C4'-P energy: -110.702
tors. eta vs tors. theta energy: -201.749
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2566.897244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.897244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.664611 (E_RNA)
where:
Base-Base interactions energy: -1794.185
where: short stacking energy: -747.031
Base-Backbone interact. energy: -1.794
local terms energy: -772.685296
where:
bonds (distance) C4'-P energy: -152.560
bonds (distance) P-C4' energy: -136.533
flat angles C4'-P-C4' energy: -152.072
flat angles P-C4'-P energy: -111.274
tors. eta vs tors. theta energy: -220.245
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: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2356.175524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.175524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.005201 (E_RNA)
where:
Base-Base interactions energy: -1595.905
where: short stacking energy: -671.692
Base-Backbone interact. energy: 4.804
local terms energy: -767.904096
where:
bonds (distance) C4'-P energy: -158.865
bonds (distance) P-C4' energy: -138.977
flat angles C4'-P-C4' energy: -163.106
flat angles P-C4'-P energy: -115.675
tors. eta vs tors. theta energy: -191.281
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2208.446030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.446030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.492459 (E_RNA)
where:
Base-Base interactions energy: -1487.973
where: short stacking energy: -647.059
Base-Backbone interact. energy: 2.664
local terms energy: -727.183372
where:
bonds (distance) C4'-P energy: -134.138
bonds (distance) P-C4' energy: -151.473
flat angles C4'-P-C4' energy: -173.769
flat angles P-C4'-P energy: -88.800
tors. eta vs tors. theta energy: -179.004
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2096.579840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.579840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.039936 (E_RNA)
where:
Base-Base interactions energy: -1416.266
where: short stacking energy: -587.884
Base-Backbone interact. energy: 4.056
local terms energy: -685.829843
where:
bonds (distance) C4'-P energy: -121.373
bonds (distance) P-C4' energy: -159.023
flat angles C4'-P-C4' energy: -160.684
flat angles P-C4'-P energy: -93.829
tors. eta vs tors. theta energy: -150.920
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: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2025.953975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.953975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.255056 (E_RNA)
where:
Base-Base interactions energy: -1395.617
where: short stacking energy: -596.351
Base-Backbone interact. energy: 0.708
local terms energy: -632.346190
where:
bonds (distance) C4'-P energy: -121.142
bonds (distance) P-C4' energy: -110.408
flat angles C4'-P-C4' energy: -153.684
flat angles P-C4'-P energy: -95.460
tors. eta vs tors. theta energy: -151.652
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: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1948.307632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.307632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.948285 (E_RNA)
where:
Base-Base interactions energy: -1339.904
where: short stacking energy: -584.619
Base-Backbone interact. energy: -0.720
local terms energy: -609.325068
where:
bonds (distance) C4'-P energy: -117.923
bonds (distance) P-C4' energy: -113.493
flat angles C4'-P-C4' energy: -145.822
flat angles P-C4'-P energy: -77.297
tors. eta vs tors. theta energy: -154.789
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1837.866501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.866501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.777614 (E_RNA)
where:
Base-Base interactions energy: -1231.861
where: short stacking energy: -528.169
Base-Backbone interact. energy: -2.486
local terms energy: -609.431103
where:
bonds (distance) C4'-P energy: -136.114
bonds (distance) P-C4' energy: -139.846
flat angles C4'-P-C4' energy: -129.227
flat angles P-C4'-P energy: -72.434
tors. eta vs tors. theta energy: -131.810
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: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2828.354591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.354591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.811355 (E_RNA)
where:
Base-Base interactions energy: -1966.826
where: short stacking energy: -838.572
Base-Backbone interact. energy: -3.205
local terms energy: -859.779829
where:
bonds (distance) C4'-P energy: -150.908
bonds (distance) P-C4' energy: -164.859
flat angles C4'-P-C4' energy: -184.359
flat angles P-C4'-P energy: -113.394
tors. eta vs tors. theta energy: -246.259
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: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2753.340588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.340588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.823820 (E_RNA)
where:
Base-Base interactions energy: -1891.660
where: short stacking energy: -775.988
Base-Backbone interact. energy: -0.651
local terms energy: -862.512769
where:
bonds (distance) C4'-P energy: -169.692
bonds (distance) P-C4' energy: -158.454
flat angles C4'-P-C4' energy: -183.568
flat angles P-C4'-P energy: -118.972
tors. eta vs tors. theta energy: -231.827
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: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2604.475343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.475343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.284106 (E_RNA)
where:
Base-Base interactions energy: -1792.529
where: short stacking energy: -757.262
Base-Backbone interact. energy: -1.597
local terms energy: -812.157674
where:
bonds (distance) C4'-P energy: -145.925
bonds (distance) P-C4' energy: -149.951
flat angles C4'-P-C4' energy: -168.296
flat angles P-C4'-P energy: -123.790
tors. eta vs tors. theta energy: -224.195
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2537.207654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.010079 (E_RNA)
where:
Base-Base interactions energy: -1716.695
where: short stacking energy: -723.608
Base-Backbone interact. energy: -0.295
local terms energy: -822.020277
where:
bonds (distance) C4'-P energy: -162.907
bonds (distance) P-C4' energy: -137.552
flat angles C4'-P-C4' energy: -174.586
flat angles P-C4'-P energy: -130.603
tors. eta vs tors. theta energy: -216.371
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: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2328.612518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.612518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.492131 (E_RNA)
where:
Base-Base interactions energy: -1563.590
where: short stacking energy: -674.539
Base-Backbone interact. energy: -4.854
local terms energy: -763.047640
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -149.904
flat angles C4'-P-C4' energy: -169.087
flat angles P-C4'-P energy: -109.845
tors. eta vs tors. theta energy: -199.414
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2249.833189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.833189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.530529 (E_RNA)
where:
Base-Base interactions energy: -1516.338
where: short stacking energy: -668.001
Base-Backbone interact. energy: -3.253
local terms energy: -731.940187
where:
bonds (distance) C4'-P energy: -132.810
bonds (distance) P-C4' energy: -143.515
flat angles C4'-P-C4' energy: -156.340
flat angles P-C4'-P energy: -107.286
tors. eta vs tors. theta energy: -191.989
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2098.218863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.794646 (E_RNA)
where:
Base-Base interactions energy: -1421.155
where: short stacking energy: -604.622
Base-Backbone interact. energy: -1.312
local terms energy: -677.328277
where:
bonds (distance) C4'-P energy: -139.233
bonds (distance) P-C4' energy: -142.621
flat angles C4'-P-C4' energy: -154.971
flat angles P-C4'-P energy: -78.959
tors. eta vs tors. theta energy: -161.544
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: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1996.695565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.695565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.968892 (E_RNA)
where:
Base-Base interactions energy: -1375.695
where: short stacking energy: -573.088
Base-Backbone interact. energy: -0.305
local terms energy: -623.968953
where:
bonds (distance) C4'-P energy: -127.458
bonds (distance) P-C4' energy: -140.486
flat angles C4'-P-C4' energy: -134.158
flat angles P-C4'-P energy: -78.627
tors. eta vs tors. theta energy: -143.241
Dist. restrs. and SS energy: 3.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1939.864974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.864974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.272057 (E_RNA)
where:
Base-Base interactions energy: -1326.746
where: short stacking energy: -600.230
Base-Backbone interact. energy: -3.447
local terms energy: -612.079293
where:
bonds (distance) C4'-P energy: -109.282
bonds (distance) P-C4' energy: -101.938
flat angles C4'-P-C4' energy: -159.793
flat angles P-C4'-P energy: -95.872
tors. eta vs tors. theta energy: -145.195
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: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1827.274881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.274881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.960106 (E_RNA)
where:
Base-Base interactions energy: -1237.436
where: short stacking energy: -528.522
Base-Backbone interact. energy: -2.449
local terms energy: -594.074768
where:
bonds (distance) C4'-P energy: -130.251
bonds (distance) P-C4' energy: -129.093
flat angles C4'-P-C4' energy: -151.677
flat angles P-C4'-P energy: -55.036
tors. eta vs tors. theta energy: -128.018
Dist. restrs. and SS energy: 6.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2842.597691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.597691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.851373 (E_RNA)
where:
Base-Base interactions energy: -1976.603
where: short stacking energy: -812.921
Base-Backbone interact. energy: -4.363
local terms energy: -862.884802
where:
bonds (distance) C4'-P energy: -160.584
bonds (distance) P-C4' energy: -158.385
flat angles C4'-P-C4' energy: -187.715
flat angles P-C4'-P energy: -119.652
tors. eta vs tors. theta energy: -236.548
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2753.739526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.739526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.312271 (E_RNA)
where:
Base-Base interactions energy: -1889.531
where: short stacking energy: -767.314
Base-Backbone interact. energy: 0.879
local terms energy: -866.660537
where:
bonds (distance) C4'-P energy: -160.765
bonds (distance) P-C4' energy: -154.871
flat angles C4'-P-C4' energy: -191.269
flat angles P-C4'-P energy: -117.145
tors. eta vs tors. theta energy: -242.611
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2651.181928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.181928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.201799 (E_RNA)
where:
Base-Base interactions energy: -1821.559
where: short stacking energy: -783.363
Base-Backbone interact. energy: 4.651
local terms energy: -837.293877
where:
bonds (distance) C4'-P energy: -165.760
bonds (distance) P-C4' energy: -159.593
flat angles C4'-P-C4' energy: -168.686
flat angles P-C4'-P energy: -119.770
tors. eta vs tors. theta energy: -223.485
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: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2530.284690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.284690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.019413 (E_RNA)
where:
Base-Base interactions energy: -1741.332
where: short stacking energy: -731.177
Base-Backbone interact. energy: -3.321
local terms energy: -787.365572
where:
bonds (distance) C4'-P energy: -139.344
bonds (distance) P-C4' energy: -152.847
flat angles C4'-P-C4' energy: -153.917
flat angles P-C4'-P energy: -128.287
tors. eta vs tors. theta energy: -212.969
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: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2305.000435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.000435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.563312 (E_RNA)
where:
Base-Base interactions energy: -1572.523
where: short stacking energy: -669.664
Base-Backbone interact. energy: -0.229
local terms energy: -733.810774
where:
bonds (distance) C4'-P energy: -143.369
bonds (distance) P-C4' energy: -142.327
flat angles C4'-P-C4' energy: -155.371
flat angles P-C4'-P energy: -120.573
tors. eta vs tors. theta energy: -172.171
Dist. restrs. and SS energy: 1.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2199.969894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.969894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.396247 (E_RNA)
where:
Base-Base interactions energy: -1520.339
where: short stacking energy: -655.014
Base-Backbone interact. energy: -4.567
local terms energy: -676.490710
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -159.488
flat angles P-C4'-P energy: -110.743
tors. eta vs tors. theta energy: -170.792
Dist. restrs. and SS energy: 1.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2104.473790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.473790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.386450 (E_RNA)
where:
Base-Base interactions energy: -1416.081
where: short stacking energy: -605.069
Base-Backbone interact. energy: 0.210
local terms energy: -692.515389
where:
bonds (distance) C4'-P energy: -147.566
bonds (distance) P-C4' energy: -136.577
flat angles C4'-P-C4' energy: -147.636
flat angles P-C4'-P energy: -90.052
tors. eta vs tors. theta energy: -170.685
Dist. restrs. and SS energy: 3.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2024.126669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.126669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.249895 (E_RNA)
where:
Base-Base interactions energy: -1329.327
where: short stacking energy: -566.978
Base-Backbone interact. energy: -3.808
local terms energy: -693.115243
where:
bonds (distance) C4'-P energy: -139.559
bonds (distance) P-C4' energy: -153.975
flat angles C4'-P-C4' energy: -148.134
flat angles P-C4'-P energy: -110.387
tors. eta vs tors. theta energy: -141.060
Dist. restrs. and SS energy: 2.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1920.634720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.634720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.153928 (E_RNA)
where:
Base-Base interactions energy: -1303.290
where: short stacking energy: -553.765
Base-Backbone interact. energy: 0.346
local terms energy: -619.209861
where:
bonds (distance) C4'-P energy: -123.089
bonds (distance) P-C4' energy: -147.212
flat angles C4'-P-C4' energy: -131.524
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -133.375
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: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1771.563205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.563205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.812425 (E_RNA)
where:
Base-Base interactions energy: -1219.789
where: short stacking energy: -504.795
Base-Backbone interact. energy: -2.401
local terms energy: -556.623066
where:
bonds (distance) C4'-P energy: -115.735
bonds (distance) P-C4' energy: -124.794
flat angles C4'-P-C4' energy: -144.627
flat angles P-C4'-P energy: -61.893
tors. eta vs tors. theta energy: -109.575
Dist. restrs. and SS energy: 7.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2818.320845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.320845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.687039 (E_RNA)
where:
Base-Base interactions energy: -1942.422
where: short stacking energy: -824.676
Base-Backbone interact. energy: -0.056
local terms energy: -877.209429
where:
bonds (distance) C4'-P energy: -163.200
bonds (distance) P-C4' energy: -162.686
flat angles C4'-P-C4' energy: -182.355
flat angles P-C4'-P energy: -119.697
tors. eta vs tors. theta energy: -249.271
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2728.729362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.729362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.850169 (E_RNA)
where:
Base-Base interactions energy: -1870.025
where: short stacking energy: -754.221
Base-Backbone interact. energy: -1.882
local terms energy: -857.943289
where:
bonds (distance) C4'-P energy: -166.547
bonds (distance) P-C4' energy: -160.032
flat angles C4'-P-C4' energy: -177.867
flat angles P-C4'-P energy: -132.881
tors. eta vs tors. theta energy: -220.617
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: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2629.733360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.733360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.662864 (E_RNA)
where:
Base-Base interactions energy: -1825.603
where: short stacking energy: -784.399
Base-Backbone interact. energy: -4.268
local terms energy: -801.791848
where:
bonds (distance) C4'-P energy: -140.012
bonds (distance) P-C4' energy: -142.349
flat angles C4'-P-C4' energy: -163.480
flat angles P-C4'-P energy: -123.523
tors. eta vs tors. theta energy: -232.428
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2540.038616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.038616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.419381 (E_RNA)
where:
Base-Base interactions energy: -1774.967
where: short stacking energy: -760.543
Base-Backbone interact. energy: -3.687
local terms energy: -762.765214
where:
bonds (distance) C4'-P energy: -131.232
bonds (distance) P-C4' energy: -139.842
flat angles C4'-P-C4' energy: -167.906
flat angles P-C4'-P energy: -116.102
tors. eta vs tors. theta energy: -207.683
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2332.518205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.518205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.186147 (E_RNA)
where:
Base-Base interactions energy: -1578.522
where: short stacking energy: -669.543
Base-Backbone interact. energy: -2.378
local terms energy: -753.286267
where:
bonds (distance) C4'-P energy: -166.496
bonds (distance) P-C4' energy: -150.448
flat angles C4'-P-C4' energy: -172.548
flat angles P-C4'-P energy: -84.008
tors. eta vs tors. theta energy: -179.786
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: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2184.631453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.631453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.267310 (E_RNA)
where:
Base-Base interactions energy: -1470.393
where: short stacking energy: -602.449
Base-Backbone interact. energy: -4.194
local terms energy: -712.680549
where:
bonds (distance) C4'-P energy: -130.405
bonds (distance) P-C4' energy: -147.186
flat angles C4'-P-C4' energy: -159.628
flat angles P-C4'-P energy: -105.715
tors. eta vs tors. theta energy: -169.747
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2073.787220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.787220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.941869 (E_RNA)
where:
Base-Base interactions energy: -1379.742
where: short stacking energy: -595.945
Base-Backbone interact. energy: -2.817
local terms energy: -693.382806
where:
bonds (distance) C4'-P energy: -126.819
bonds (distance) P-C4' energy: -136.152
flat angles C4'-P-C4' energy: -153.356
flat angles P-C4'-P energy: -103.538
tors. eta vs tors. theta energy: -173.518
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2013.494116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.494116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.484439 (E_RNA)
where:
Base-Base interactions energy: -1353.982
where: short stacking energy: -581.045
Base-Backbone interact. energy: 2.021
local terms energy: -663.522949
where:
bonds (distance) C4'-P energy: -138.114
bonds (distance) P-C4' energy: -131.531
flat angles C4'-P-C4' energy: -143.833
flat angles P-C4'-P energy: -72.996
tors. eta vs tors. theta energy: -177.047
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1972.092056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.092056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.713759 (E_RNA)
where:
Base-Base interactions energy: -1336.593
where: short stacking energy: -569.229
Base-Backbone interact. energy: 1.696
local terms energy: -638.817283
where:
bonds (distance) C4'-P energy: -131.341
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -137.817
flat angles P-C4'-P energy: -89.989
tors. eta vs tors. theta energy: -144.291
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: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1718.836780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.836780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.108025 (E_RNA)
where:
Base-Base interactions energy: -1177.153
where: short stacking energy: -476.386
Base-Backbone interact. energy: 1.880
local terms energy: -557.834711
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -130.962
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -83.918
tors. eta vs tors. theta energy: -108.362
Dist. restrs. and SS energy: 14.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2817.039202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.039202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.062444 (E_RNA)
where:
Base-Base interactions energy: -1952.758
where: short stacking energy: -819.919
Base-Backbone interact. energy: -4.759
local terms energy: -861.545703
where:
bonds (distance) C4'-P energy: -157.324
bonds (distance) P-C4' energy: -160.431
flat angles C4'-P-C4' energy: -187.213
flat angles P-C4'-P energy: -119.650
tors. eta vs tors. theta energy: -236.928
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: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2705.677515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.677515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.661224 (E_RNA)
where:
Base-Base interactions energy: -1842.836
where: short stacking energy: -783.038
Base-Backbone interact. energy: -3.750
local terms energy: -860.074554
where:
bonds (distance) C4'-P energy: -160.382
bonds (distance) P-C4' energy: -159.407
flat angles C4'-P-C4' energy: -186.276
flat angles P-C4'-P energy: -117.827
tors. eta vs tors. theta energy: -236.182
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2711.824524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.824524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.063954 (E_RNA)
where:
Base-Base interactions energy: -1908.175
where: short stacking energy: -750.649
Base-Backbone interact. energy: -2.202
local terms energy: -802.687654
where:
bonds (distance) C4'-P energy: -152.670
bonds (distance) P-C4' energy: -154.193
flat angles C4'-P-C4' energy: -159.642
flat angles P-C4'-P energy: -118.261
tors. eta vs tors. theta energy: -217.921
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2555.344967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.344967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.067551 (E_RNA)
where:
Base-Base interactions energy: -1777.718
where: short stacking energy: -773.234
Base-Backbone interact. energy: 1.928
local terms energy: -781.277534
where:
bonds (distance) C4'-P energy: -128.285
bonds (distance) P-C4' energy: -144.557
flat angles C4'-P-C4' energy: -173.867
flat angles P-C4'-P energy: -113.137
tors. eta vs tors. theta energy: -221.432
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2300.134528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.134528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.662733 (E_RNA)
where:
Base-Base interactions energy: -1519.854
where: short stacking energy: -641.668
Base-Backbone interact. energy: -1.277
local terms energy: -781.531725
where:
bonds (distance) C4'-P energy: -147.929
bonds (distance) P-C4' energy: -154.750
flat angles C4'-P-C4' energy: -172.307
flat angles P-C4'-P energy: -113.637
tors. eta vs tors. theta energy: -192.908
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: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2220.741923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.741923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.854843 (E_RNA)
where:
Base-Base interactions energy: -1499.581
where: short stacking energy: -651.002
Base-Backbone interact. energy: 3.274
local terms energy: -727.547645
where:
bonds (distance) C4'-P energy: -143.745
bonds (distance) P-C4' energy: -119.977
flat angles C4'-P-C4' energy: -155.883
flat angles P-C4'-P energy: -113.094
tors. eta vs tors. theta energy: -194.849
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: 7, replica: 6
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2049.937546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.937546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.733178 (E_RNA)
where:
Base-Base interactions energy: -1385.070
where: short stacking energy: -592.145
Base-Backbone interact. energy: 0.193
local terms energy: -666.856586
where:
bonds (distance) C4'-P energy: -128.375
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -153.940
flat angles P-C4'-P energy: -102.785
tors. eta vs tors. theta energy: -151.624
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: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2047.475058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.475058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.150274 (E_RNA)
where:
Base-Base interactions energy: -1385.109
where: short stacking energy: -563.637
Base-Backbone interact. energy: 0.712
local terms energy: -665.753760
where:
bonds (distance) C4'-P energy: -137.099
bonds (distance) P-C4' energy: -135.073
flat angles C4'-P-C4' energy: -140.061
flat angles P-C4'-P energy: -95.423
tors. eta vs tors. theta energy: -158.097
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1913.103172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.103172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.404531 (E_RNA)
where:
Base-Base interactions energy: -1284.308
where: short stacking energy: -529.632
Base-Backbone interact. energy: -3.172
local terms energy: -629.923874
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -126.938
flat angles C4'-P-C4' energy: -142.811
flat angles P-C4'-P energy: -92.048
tors. eta vs tors. theta energy: -128.681
Dist. restrs. and SS energy: 4.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1810.429614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.429614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.970028 (E_RNA)
where:
Base-Base interactions energy: -1228.978
where: short stacking energy: -532.299
Base-Backbone interact. energy: -3.184
local terms energy: -585.808137
where:
bonds (distance) C4'-P energy: -117.848
bonds (distance) P-C4' energy: -130.557
flat angles C4'-P-C4' energy: -148.810
flat angles P-C4'-P energy: -69.448
tors. eta vs tors. theta energy: -119.145
Dist. restrs. and SS energy: 7.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2802.008922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.008922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.825265 (E_RNA)
where:
Base-Base interactions energy: -1928.436
where: short stacking energy: -782.491
Base-Backbone interact. energy: -2.294
local terms energy: -872.095582
where:
bonds (distance) C4'-P energy: -182.143
bonds (distance) P-C4' energy: -159.790
flat angles C4'-P-C4' energy: -185.139
flat angles P-C4'-P energy: -111.505
tors. eta vs tors. theta energy: -233.518
Dist. restrs. and SS energy: 0.816 (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: 198
Temperature: 0.950000
Total energy: -2702.641163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.641163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.981916 (E_RNA)
where:
Base-Base interactions energy: -1859.289
where: short stacking energy: -778.410
Base-Backbone interact. energy: -3.309
local terms energy: -842.383874
where:
bonds (distance) C4'-P energy: -152.499
bonds (distance) P-C4' energy: -159.567
flat angles C4'-P-C4' energy: -178.802
flat angles P-C4'-P energy: -124.496
tors. eta vs tors. theta energy: -227.020
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2719.631480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.631480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.626765 (E_RNA)
where:
Base-Base interactions energy: -1873.787
where: short stacking energy: -744.713
Base-Backbone interact. energy: -0.538
local terms energy: -847.301602
where:
bonds (distance) C4'-P energy: -159.726
bonds (distance) P-C4' energy: -171.045
flat angles C4'-P-C4' energy: -177.319
flat angles P-C4'-P energy: -118.404
tors. eta vs tors. theta energy: -220.808
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: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2561.652304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.652304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.193567 (E_RNA)
where:
Base-Base interactions energy: -1761.190
where: short stacking energy: -746.110
Base-Backbone interact. energy: -2.353
local terms energy: -799.650311
where:
bonds (distance) C4'-P energy: -132.307
bonds (distance) P-C4' energy: -157.107
flat angles C4'-P-C4' energy: -169.894
flat angles P-C4'-P energy: -129.001
tors. eta vs tors. theta energy: -211.340
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2273.036322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.036322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.146677 (E_RNA)
where:
Base-Base interactions energy: -1519.957
where: short stacking energy: -647.091
Base-Backbone interact. energy: -0.617
local terms energy: -754.573083
where:
bonds (distance) C4'-P energy: -158.716
bonds (distance) P-C4' energy: -152.598
flat angles C4'-P-C4' energy: -163.006
flat angles P-C4'-P energy: -97.689
tors. eta vs tors. theta energy: -182.565
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: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2236.296151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.296151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.820945 (E_RNA)
where:
Base-Base interactions energy: -1479.421
where: short stacking energy: -636.788
Base-Backbone interact. energy: -0.366
local terms energy: -758.033916
where:
bonds (distance) C4'-P energy: -154.280
bonds (distance) P-C4' energy: -160.265
flat angles C4'-P-C4' energy: -153.634
flat angles P-C4'-P energy: -112.099
tors. eta vs tors. theta energy: -177.756
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2160.169096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.169096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.218067 (E_RNA)
where:
Base-Base interactions energy: -1479.775
where: short stacking energy: -627.756
Base-Backbone interact. energy: 6.033
local terms energy: -688.475550
where:
bonds (distance) C4'-P energy: -137.068
bonds (distance) P-C4' energy: -135.307
flat angles C4'-P-C4' energy: -143.992
flat angles P-C4'-P energy: -103.640
tors. eta vs tors. theta energy: -168.468
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: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2035.270114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.270114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.644939 (E_RNA)
where:
Base-Base interactions energy: -1405.749
where: short stacking energy: -603.108
Base-Backbone interact. energy: 1.278
local terms energy: -634.174286
where:
bonds (distance) C4'-P energy: -134.778
bonds (distance) P-C4' energy: -109.449
flat angles C4'-P-C4' energy: -140.939
flat angles P-C4'-P energy: -97.279
tors. eta vs tors. theta energy: -151.729
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1862.462293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.462293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.251957 (E_RNA)
where:
Base-Base interactions energy: -1231.485
where: short stacking energy: -539.098
Base-Backbone interact. energy: -1.322
local terms energy: -641.445933
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -146.561
flat angles C4'-P-C4' energy: -148.726
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -126.097
Dist. restrs. and SS energy: 11.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1898.520505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.520505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.945296 (E_RNA)
where:
Base-Base interactions energy: -1259.723
where: short stacking energy: -535.473
Base-Backbone interact. energy: -0.052
local terms energy: -643.171036
where:
bonds (distance) C4'-P energy: -139.015
bonds (distance) P-C4' energy: -146.233
flat angles C4'-P-C4' energy: -144.035
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -128.019
Dist. restrs. and SS energy: 4.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2803.435440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.435440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.710402 (E_RNA)
where:
Base-Base interactions energy: -1950.579
where: short stacking energy: -822.718
Base-Backbone interact. energy: -6.533
local terms energy: -848.598342
where:
bonds (distance) C4'-P energy: -143.189
bonds (distance) P-C4' energy: -150.936
flat angles C4'-P-C4' energy: -185.840
flat angles P-C4'-P energy: -126.332
tors. eta vs tors. theta energy: -242.302
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: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2677.833675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.833675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.999968 (E_RNA)
where:
Base-Base interactions energy: -1864.739
where: short stacking energy: -793.610
Base-Backbone interact. energy: 0.650
local terms energy: -814.910992
where:
bonds (distance) C4'-P energy: -158.304
bonds (distance) P-C4' energy: -155.569
flat angles C4'-P-C4' energy: -161.583
flat angles P-C4'-P energy: -116.050
tors. eta vs tors. theta energy: -223.405
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: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2681.016110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.072840 (E_RNA)
where:
Base-Base interactions energy: -1870.660
where: short stacking energy: -755.241
Base-Backbone interact. energy: -0.040
local terms energy: -812.373340
where:
bonds (distance) C4'-P energy: -142.365
bonds (distance) P-C4' energy: -141.067
flat angles C4'-P-C4' energy: -186.818
flat angles P-C4'-P energy: -113.441
tors. eta vs tors. theta energy: -228.682
Dist. restrs. and SS energy: 2.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2586.918801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.918801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.691190 (E_RNA)
where:
Base-Base interactions energy: -1782.290
where: short stacking energy: -756.860
Base-Backbone interact. energy: -3.667
local terms energy: -802.733984
where:
bonds (distance) C4'-P energy: -145.416
bonds (distance) P-C4' energy: -154.980
flat angles C4'-P-C4' energy: -164.716
flat angles P-C4'-P energy: -110.456
tors. eta vs tors. theta energy: -227.167
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2245.046459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.046459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.541818 (E_RNA)
where:
Base-Base interactions energy: -1509.675
where: short stacking energy: -657.684
Base-Backbone interact. energy: -1.499
local terms energy: -737.367728
where:
bonds (distance) C4'-P energy: -124.353
bonds (distance) P-C4' energy: -168.517
flat angles C4'-P-C4' energy: -172.674
flat angles P-C4'-P energy: -100.834
tors. eta vs tors. theta energy: -170.990
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2225.450802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.450802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.628901 (E_RNA)
where:
Base-Base interactions energy: -1531.062
where: short stacking energy: -649.948
Base-Backbone interact. energy: -5.492
local terms energy: -691.075387
where:
bonds (distance) C4'-P energy: -148.368
bonds (distance) P-C4' energy: -125.508
flat angles C4'-P-C4' energy: -156.699
flat angles P-C4'-P energy: -96.339
tors. eta vs tors. theta energy: -164.162
Dist. restrs. and SS energy: 2.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2141.026651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.026651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.297419 (E_RNA)
where:
Base-Base interactions energy: -1517.812
where: short stacking energy: -653.985
Base-Backbone interact. energy: 8.335
local terms energy: -633.820439
where:
bonds (distance) C4'-P energy: -103.406
bonds (distance) P-C4' energy: -119.920
flat angles C4'-P-C4' energy: -148.315
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -182.854
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: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2063.576890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.576890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.540600 (E_RNA)
where:
Base-Base interactions energy: -1405.032
where: short stacking energy: -608.884
Base-Backbone interact. energy: -3.535
local terms energy: -657.973327
where:
bonds (distance) C4'-P energy: -121.626
bonds (distance) P-C4' energy: -122.777
flat angles C4'-P-C4' energy: -147.233
flat angles P-C4'-P energy: -98.229
tors. eta vs tors. theta energy: -168.109
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: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1805.972699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.972699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.523045 (E_RNA)
where:
Base-Base interactions energy: -1220.641
where: short stacking energy: -493.071
Base-Backbone interact. energy: 2.086
local terms energy: -594.968010
where:
bonds (distance) C4'-P energy: -111.863
bonds (distance) P-C4' energy: -136.208
flat angles C4'-P-C4' energy: -141.645
flat angles P-C4'-P energy: -69.980
tors. eta vs tors. theta energy: -135.271
Dist. restrs. and SS energy: 7.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1880.535535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.535535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.570518 (E_RNA)
where:
Base-Base interactions energy: -1286.017
where: short stacking energy: -566.897
Base-Backbone interact. energy: 1.345
local terms energy: -599.898597
where:
bonds (distance) C4'-P energy: -137.124
bonds (distance) P-C4' energy: -119.935
flat angles C4'-P-C4' energy: -125.961
flat angles P-C4'-P energy: -86.385
tors. eta vs tors. theta energy: -130.494
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2838.251325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.251325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.046320 (E_RNA)
where:
Base-Base interactions energy: -1944.058
where: short stacking energy: -804.780
Base-Backbone interact. energy: -3.600
local terms energy: -893.388658
where:
bonds (distance) C4'-P energy: -176.135
bonds (distance) P-C4' energy: -162.605
flat angles C4'-P-C4' energy: -189.388
flat angles P-C4'-P energy: -122.939
tors. eta vs tors. theta energy: -242.321
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2717.829248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.829248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.544988 (E_RNA)
where:
Base-Base interactions energy: -1870.444
where: short stacking energy: -810.517
Base-Backbone interact. energy: -2.312
local terms energy: -846.789273
where:
bonds (distance) C4'-P energy: -170.277
bonds (distance) P-C4' energy: -150.897
flat angles C4'-P-C4' energy: -178.326
flat angles P-C4'-P energy: -108.935
tors. eta vs tors. theta energy: -238.354
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: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2685.120382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.120382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.456407 (E_RNA)
where:
Base-Base interactions energy: -1860.057
where: short stacking energy: -774.898
Base-Backbone interact. energy: -1.436
local terms energy: -824.963408
where:
bonds (distance) C4'-P energy: -161.136
bonds (distance) P-C4' energy: -154.186
flat angles C4'-P-C4' energy: -176.616
flat angles P-C4'-P energy: -107.281
tors. eta vs tors. theta energy: -225.745
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2541.043073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.043073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.613704 (E_RNA)
where:
Base-Base interactions energy: -1744.216
where: short stacking energy: -740.525
Base-Backbone interact. energy: -3.328
local terms energy: -795.069625
where:
bonds (distance) C4'-P energy: -147.282
bonds (distance) P-C4' energy: -159.957
flat angles C4'-P-C4' energy: -172.052
flat angles P-C4'-P energy: -109.747
tors. eta vs tors. theta energy: -206.032
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: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2225.009390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.009390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.563250 (E_RNA)
where:
Base-Base interactions energy: -1507.080
where: short stacking energy: -647.079
Base-Backbone interact. energy: -3.647
local terms energy: -715.836323
where:
bonds (distance) C4'-P energy: -133.774
bonds (distance) P-C4' energy: -142.649
flat angles C4'-P-C4' energy: -159.202
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -182.258
Dist. restrs. and SS energy: 1.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2263.792141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.792141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.842233 (E_RNA)
where:
Base-Base interactions energy: -1584.830
where: short stacking energy: -670.851
Base-Backbone interact. energy: 3.596
local terms energy: -685.607722
where:
bonds (distance) C4'-P energy: -136.584
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -147.952
flat angles P-C4'-P energy: -98.219
tors. eta vs tors. theta energy: -184.893
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: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2116.130468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.130468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.798906 (E_RNA)
where:
Base-Base interactions energy: -1448.408
where: short stacking energy: -630.489
Base-Backbone interact. energy: 0.572
local terms energy: -670.962012
where:
bonds (distance) C4'-P energy: -97.707
bonds (distance) P-C4' energy: -138.132
flat angles C4'-P-C4' energy: -163.810
flat angles P-C4'-P energy: -104.092
tors. eta vs tors. theta energy: -167.221
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: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2025.365627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.365627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.101934 (E_RNA)
where:
Base-Base interactions energy: -1371.396
where: short stacking energy: -602.105
Base-Backbone interact. energy: -2.174
local terms energy: -654.531445
where:
bonds (distance) C4'-P energy: -114.430
bonds (distance) P-C4' energy: -134.541
flat angles C4'-P-C4' energy: -156.535
flat angles P-C4'-P energy: -82.422
tors. eta vs tors. theta energy: -166.604
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: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1903.769929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.769929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.223855 (E_RNA)
where:
Base-Base interactions energy: -1283.826
where: short stacking energy: -526.330
Base-Backbone interact. energy: -0.149
local terms energy: -625.248683
where:
bonds (distance) C4'-P energy: -112.065
bonds (distance) P-C4' energy: -139.272
flat angles C4'-P-C4' energy: -138.608
flat angles P-C4'-P energy: -96.863
tors. eta vs tors. theta energy: -138.442
Dist. restrs. and SS energy: 5.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1775.060650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.060650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.519444 (E_RNA)
where:
Base-Base interactions energy: -1235.944
where: short stacking energy: -524.556
Base-Backbone interact. energy: 0.881
local terms energy: -550.455803
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -116.485
flat angles C4'-P-C4' energy: -137.924
flat angles P-C4'-P energy: -65.932
tors. eta vs tors. theta energy: -115.032
Dist. restrs. and SS energy: 10.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2868.841695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.841695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.058888 (E_RNA)
where:
Base-Base interactions energy: -1973.696
where: short stacking energy: -844.247
Base-Backbone interact. energy: -3.522
local terms energy: -893.841112
where:
bonds (distance) C4'-P energy: -158.588
bonds (distance) P-C4' energy: -172.405
flat angles C4'-P-C4' energy: -195.959
flat angles P-C4'-P energy: -117.508
tors. eta vs tors. theta energy: -249.381
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2719.079509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.079509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.228933 (E_RNA)
where:
Base-Base interactions energy: -1851.891
where: short stacking energy: -793.816
Base-Backbone interact. energy: -4.323
local terms energy: -864.015056
where:
bonds (distance) C4'-P energy: -164.799
bonds (distance) P-C4' energy: -157.285
flat angles C4'-P-C4' energy: -181.294
flat angles P-C4'-P energy: -127.562
tors. eta vs tors. theta energy: -233.075
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2670.530067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.530067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.242404 (E_RNA)
where:
Base-Base interactions energy: -1857.484
where: short stacking energy: -750.915
Base-Backbone interact. energy: -2.671
local terms energy: -812.087442
where:
bonds (distance) C4'-P energy: -145.309
bonds (distance) P-C4' energy: -158.527
flat angles C4'-P-C4' energy: -178.869
flat angles P-C4'-P energy: -102.521
tors. eta vs tors. theta energy: -226.861
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: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2637.405047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.405047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.105657 (E_RNA)
where:
Base-Base interactions energy: -1796.263
where: short stacking energy: -759.741
Base-Backbone interact. energy: -5.207
local terms energy: -837.635955
where:
bonds (distance) C4'-P energy: -154.337
bonds (distance) P-C4' energy: -166.811
flat angles C4'-P-C4' energy: -177.315
flat angles P-C4'-P energy: -116.806
tors. eta vs tors. theta energy: -222.366
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2216.050537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.050537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.767001 (E_RNA)
where:
Base-Base interactions energy: -1495.318
where: short stacking energy: -652.670
Base-Backbone interact. energy: -0.048
local terms energy: -722.401294
where:
bonds (distance) C4'-P energy: -157.098
bonds (distance) P-C4' energy: -132.857
flat angles C4'-P-C4' energy: -157.837
flat angles P-C4'-P energy: -102.657
tors. eta vs tors. theta energy: -171.951
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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2265.160219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.160219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.469741 (E_RNA)
where:
Base-Base interactions energy: -1547.495
where: short stacking energy: -686.937
Base-Backbone interact. energy: -0.798
local terms energy: -719.176805
where:
bonds (distance) C4'-P energy: -141.458
bonds (distance) P-C4' energy: -143.560
flat angles C4'-P-C4' energy: -162.364
flat angles P-C4'-P energy: -99.475
tors. eta vs tors. theta energy: -172.320
Dist. restrs. and SS energy: 2.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2148.025758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.025758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.197639 (E_RNA)
where:
Base-Base interactions energy: -1456.322
where: short stacking energy: -627.591
Base-Backbone interact. energy: -3.265
local terms energy: -691.610666
where:
bonds (distance) C4'-P energy: -121.843
bonds (distance) P-C4' energy: -137.577
flat angles C4'-P-C4' energy: -151.903
flat angles P-C4'-P energy: -104.235
tors. eta vs tors. theta energy: -176.052
Dist. restrs. and SS energy: 3.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2008.096882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.096882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.827117 (E_RNA)
where:
Base-Base interactions energy: -1388.620
where: short stacking energy: -607.608
Base-Backbone interact. energy: 0.904
local terms energy: -624.111064
where:
bonds (distance) C4'-P energy: -117.615
bonds (distance) P-C4' energy: -134.973
flat angles C4'-P-C4' energy: -134.742
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -145.617
Dist. restrs. and SS energy: 3.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1967.184264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.184264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.932643 (E_RNA)
where:
Base-Base interactions energy: -1304.049
where: short stacking energy: -556.124
Base-Backbone interact. energy: 0.894
local terms energy: -667.778036
where:
bonds (distance) C4'-P energy: -141.406
bonds (distance) P-C4' energy: -147.806
flat angles C4'-P-C4' energy: -138.282
flat angles P-C4'-P energy: -106.219
tors. eta vs tors. theta energy: -134.065
Dist. restrs. and SS energy: 3.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1836.639676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.639676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.930090 (E_RNA)
where:
Base-Base interactions energy: -1257.968
where: short stacking energy: -523.880
Base-Backbone interact. energy: 2.669
local terms energy: -586.630896
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -140.201
flat angles C4'-P-C4' energy: -131.013
flat angles P-C4'-P energy: -77.417
tors. eta vs tors. theta energy: -127.220
Dist. restrs. and SS energy: 5.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2825.196596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.196596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.037361 (E_RNA)
where:
Base-Base interactions energy: -1940.655
where: short stacking energy: -809.084
Base-Backbone interact. energy: -3.168
local terms energy: -883.214393
where:
bonds (distance) C4'-P energy: -164.294
bonds (distance) P-C4' energy: -166.587
flat angles C4'-P-C4' energy: -190.449
flat angles P-C4'-P energy: -120.803
tors. eta vs tors. theta energy: -241.081
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2724.493308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.493308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.059309 (E_RNA)
where:
Base-Base interactions energy: -1878.231
where: short stacking energy: -777.542
Base-Backbone interact. energy: -0.529
local terms energy: -847.299085
where:
bonds (distance) C4'-P energy: -164.526
bonds (distance) P-C4' energy: -155.448
flat angles C4'-P-C4' energy: -181.446
flat angles P-C4'-P energy: -122.347
tors. eta vs tors. theta energy: -223.533
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2647.633602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.633602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.025068 (E_RNA)
where:
Base-Base interactions energy: -1811.639
where: short stacking energy: -791.083
Base-Backbone interact. energy: -3.400
local terms energy: -834.986640
where:
bonds (distance) C4'-P energy: -164.396
bonds (distance) P-C4' energy: -152.852
flat angles C4'-P-C4' energy: -181.291
flat angles P-C4'-P energy: -104.991
tors. eta vs tors. theta energy: -231.456
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: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2595.693953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.693953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.980206 (E_RNA)
where:
Base-Base interactions energy: -1814.864
where: short stacking energy: -733.750
Base-Backbone interact. energy: -1.434
local terms energy: -780.682358
where:
bonds (distance) C4'-P energy: -140.203
bonds (distance) P-C4' energy: -151.345
flat angles C4'-P-C4' energy: -166.510
flat angles P-C4'-P energy: -112.086
tors. eta vs tors. theta energy: -210.537
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: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2351.318671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.318671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.545435 (E_RNA)
where:
Base-Base interactions energy: -1617.867
where: short stacking energy: -704.217
Base-Backbone interact. energy: -0.028
local terms energy: -736.651336
where:
bonds (distance) C4'-P energy: -131.337
bonds (distance) P-C4' energy: -160.799
flat angles C4'-P-C4' energy: -167.216
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -187.440
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2164.869143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.869143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.357029 (E_RNA)
where:
Base-Base interactions energy: -1458.936
where: short stacking energy: -636.579
Base-Backbone interact. energy: -2.543
local terms energy: -705.878121
where:
bonds (distance) C4'-P energy: -138.902
bonds (distance) P-C4' energy: -127.824
flat angles C4'-P-C4' energy: -160.603
flat angles P-C4'-P energy: -103.601
tors. eta vs tors. theta energy: -174.949
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: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2116.388085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.388085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.351057 (E_RNA)
where:
Base-Base interactions energy: -1414.827
where: short stacking energy: -610.289
Base-Backbone interact. energy: -2.461
local terms energy: -701.063287
where:
bonds (distance) C4'-P energy: -138.001
bonds (distance) P-C4' energy: -135.972
flat angles C4'-P-C4' energy: -159.969
flat angles P-C4'-P energy: -95.520
tors. eta vs tors. theta energy: -171.600
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2031.745075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.745075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.030307 (E_RNA)
where:
Base-Base interactions energy: -1341.925
where: short stacking energy: -582.103
Base-Backbone interact. energy: -1.109
local terms energy: -690.996416
where:
bonds (distance) C4'-P energy: -130.875
bonds (distance) P-C4' energy: -159.916
flat angles C4'-P-C4' energy: -154.511
flat angles P-C4'-P energy: -91.637
tors. eta vs tors. theta energy: -154.057
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: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1935.706996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.706996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.426854 (E_RNA)
where:
Base-Base interactions energy: -1334.129
where: short stacking energy: -560.066
Base-Backbone interact. energy: 1.227
local terms energy: -607.525378
where:
bonds (distance) C4'-P energy: -136.464
bonds (distance) P-C4' energy: -115.525
flat angles C4'-P-C4' energy: -143.038
flat angles P-C4'-P energy: -79.644
tors. eta vs tors. theta energy: -132.854
Dist. restrs. and SS energy: 4.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1823.830965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.830965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.151375 (E_RNA)
where:
Base-Base interactions energy: -1250.007
where: short stacking energy: -506.249
Base-Backbone interact. energy: 0.554
local terms energy: -581.698344
where:
bonds (distance) C4'-P energy: -115.450
bonds (distance) P-C4' energy: -136.862
flat angles C4'-P-C4' energy: -123.520
flat angles P-C4'-P energy: -61.522
tors. eta vs tors. theta energy: -144.344
Dist. restrs. and SS energy: 7.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2821.891737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.891737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.422788 (E_RNA)
where:
Base-Base interactions energy: -1950.271
where: short stacking energy: -790.572
Base-Backbone interact. energy: -8.230
local terms energy: -864.922633
where:
bonds (distance) C4'-P energy: -148.642
bonds (distance) P-C4' energy: -172.020
flat angles C4'-P-C4' energy: -187.458
flat angles P-C4'-P energy: -120.066
tors. eta vs tors. theta energy: -236.737
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2722.857223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.857223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.668769 (E_RNA)
where:
Base-Base interactions energy: -1877.798
where: short stacking energy: -788.142
Base-Backbone interact. energy: 1.735
local terms energy: -848.606143
where:
bonds (distance) C4'-P energy: -153.796
bonds (distance) P-C4' energy: -161.069
flat angles C4'-P-C4' energy: -174.518
flat angles P-C4'-P energy: -126.824
tors. eta vs tors. theta energy: -232.400
Dist. restrs. and SS energy: 1.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2635.885025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.885025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.612582 (E_RNA)
where:
Base-Base interactions energy: -1804.304
where: short stacking energy: -777.098
Base-Backbone interact. energy: -4.384
local terms energy: -829.924933
where:
bonds (distance) C4'-P energy: -152.332
bonds (distance) P-C4' energy: -158.577
flat angles C4'-P-C4' energy: -198.580
flat angles P-C4'-P energy: -99.061
tors. eta vs tors. theta energy: -221.375
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2557.771192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.771192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.454880 (E_RNA)
where:
Base-Base interactions energy: -1780.679
where: short stacking energy: -718.141
Base-Backbone interact. energy: -0.613
local terms energy: -780.162309
where:
bonds (distance) C4'-P energy: -146.660
bonds (distance) P-C4' energy: -140.722
flat angles C4'-P-C4' energy: -180.736
flat angles P-C4'-P energy: -100.644
tors. eta vs tors. theta energy: -211.402
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: 5, replica: 9
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2339.494759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.494759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.987377 (E_RNA)
where:
Base-Base interactions energy: -1576.570
where: short stacking energy: -681.375
Base-Backbone interact. energy: 4.323
local terms energy: -770.740527
where:
bonds (distance) C4'-P energy: -135.130
bonds (distance) P-C4' energy: -147.596
flat angles C4'-P-C4' energy: -175.430
flat angles P-C4'-P energy: -110.214
tors. eta vs tors. theta energy: -202.370
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2162.500113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.500113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.375584 (E_RNA)
where:
Base-Base interactions energy: -1422.128
where: short stacking energy: -612.939
Base-Backbone interact. energy: -0.531
local terms energy: -741.716056
where:
bonds (distance) C4'-P energy: -146.808
bonds (distance) P-C4' energy: -158.772
flat angles C4'-P-C4' energy: -174.103
flat angles P-C4'-P energy: -91.792
tors. eta vs tors. theta energy: -170.241
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: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2145.457086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.457086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.479636 (E_RNA)
where:
Base-Base interactions energy: -1438.621
where: short stacking energy: -641.525
Base-Backbone interact. energy: -2.839
local terms energy: -707.019561
where:
bonds (distance) C4'-P energy: -136.846
bonds (distance) P-C4' energy: -139.116
flat angles C4'-P-C4' energy: -162.343
flat angles P-C4'-P energy: -94.761
tors. eta vs tors. theta energy: -173.953
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: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1989.718205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.718205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.359825 (E_RNA)
where:
Base-Base interactions energy: -1320.152
where: short stacking energy: -571.153
Base-Backbone interact. energy: 0.450
local terms energy: -672.658409
where:
bonds (distance) C4'-P energy: -135.299
bonds (distance) P-C4' energy: -152.347
flat angles C4'-P-C4' energy: -154.496
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -147.644
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: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1949.383048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.383048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.100754 (E_RNA)
where:
Base-Base interactions energy: -1336.491
where: short stacking energy: -579.899
Base-Backbone interact. energy: 0.988
local terms energy: -616.598395
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -150.833
flat angles C4'-P-C4' energy: -131.925
flat angles P-C4'-P energy: -85.957
tors. eta vs tors. theta energy: -143.598
Dist. restrs. and SS energy: 2.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1781.122432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.122432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.100657 (E_RNA)
where:
Base-Base interactions energy: -1194.196
where: short stacking energy: -478.545
Base-Backbone interact. energy: -1.272
local terms energy: -595.632155
where:
bonds (distance) C4'-P energy: -139.045
bonds (distance) P-C4' energy: -126.800
flat angles C4'-P-C4' energy: -142.753
flat angles P-C4'-P energy: -79.799
tors. eta vs tors. theta energy: -107.236
Dist. restrs. and SS energy: 9.978 (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: 204
Temperature: 0.900000
Total energy: -2813.871313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.871313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.190836 (E_RNA)
where:
Base-Base interactions energy: -1932.327
where: short stacking energy: -817.578
Base-Backbone interact. energy: -2.734
local terms energy: -880.130135
where:
bonds (distance) C4'-P energy: -164.899
bonds (distance) P-C4' energy: -148.437
flat angles C4'-P-C4' energy: -191.679
flat angles P-C4'-P energy: -129.412
tors. eta vs tors. theta energy: -245.703
Dist. restrs. and SS energy: 1.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2775.444289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.444289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.540781 (E_RNA)
where:
Base-Base interactions energy: -1926.119
where: short stacking energy: -806.504
Base-Backbone interact. energy: 0.292
local terms energy: -851.713819
where:
bonds (distance) C4'-P energy: -158.182
bonds (distance) P-C4' energy: -160.058
flat angles C4'-P-C4' energy: -184.208
flat angles P-C4'-P energy: -115.379
tors. eta vs tors. theta energy: -233.887
Dist. restrs. and SS energy: 2.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2661.634969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.634969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.271143 (E_RNA)
where:
Base-Base interactions energy: -1836.917
where: short stacking energy: -757.850
Base-Backbone interact. energy: -2.077
local terms energy: -825.277491
where:
bonds (distance) C4'-P energy: -161.772
bonds (distance) P-C4' energy: -161.154
flat angles C4'-P-C4' energy: -167.333
flat angles P-C4'-P energy: -109.443
tors. eta vs tors. theta energy: -225.576
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2564.212016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.212016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.909064 (E_RNA)
where:
Base-Base interactions energy: -1783.821
where: short stacking energy: -762.867
Base-Backbone interact. energy: -4.185
local terms energy: -778.902794
where:
bonds (distance) C4'-P energy: -132.614
bonds (distance) P-C4' energy: -155.246
flat angles C4'-P-C4' energy: -170.297
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -209.143
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: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2383.376177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.376177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.045474 (E_RNA)
where:
Base-Base interactions energy: -1620.843
where: short stacking energy: -710.014
Base-Backbone interact. energy: 1.559
local terms energy: -767.761568
where:
bonds (distance) C4'-P energy: -142.124
bonds (distance) P-C4' energy: -137.451
flat angles C4'-P-C4' energy: -179.216
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -206.623
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: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2196.718253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.718253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.910726 (E_RNA)
where:
Base-Base interactions energy: -1500.448
where: short stacking energy: -636.497
Base-Backbone interact. energy: -0.424
local terms energy: -700.038729
where:
bonds (distance) C4'-P energy: -145.617
bonds (distance) P-C4' energy: -131.881
flat angles C4'-P-C4' energy: -160.837
flat angles P-C4'-P energy: -97.055
tors. eta vs tors. theta energy: -164.648
Dist. restrs. and SS energy: 4.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2108.321060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.321060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.949120 (E_RNA)
where:
Base-Base interactions energy: -1449.062
where: short stacking energy: -644.095
Base-Backbone interact. energy: -0.761
local terms energy: -663.126785
where:
bonds (distance) C4'-P energy: -138.729
bonds (distance) P-C4' energy: -114.068
flat angles C4'-P-C4' energy: -157.060
flat angles P-C4'-P energy: -73.918
tors. eta vs tors. theta energy: -179.353
Dist. restrs. and SS energy: 4.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1982.404115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.404115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.328259 (E_RNA)
where:
Base-Base interactions energy: -1313.590
where: short stacking energy: -553.738
Base-Backbone interact. energy: -2.348
local terms energy: -669.390924
where:
bonds (distance) C4'-P energy: -139.903
bonds (distance) P-C4' energy: -124.072
flat angles C4'-P-C4' energy: -154.124
flat angles P-C4'-P energy: -110.856
tors. eta vs tors. theta energy: -140.435
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: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1910.536766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.536766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.022809 (E_RNA)
where:
Base-Base interactions energy: -1308.607
where: short stacking energy: -550.957
Base-Backbone interact. energy: 0.230
local terms energy: -605.645885
where:
bonds (distance) C4'-P energy: -136.433
bonds (distance) P-C4' energy: -100.897
flat angles C4'-P-C4' energy: -146.253
flat angles P-C4'-P energy: -82.142
tors. eta vs tors. theta energy: -139.921
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: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1834.226613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.226613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.124497 (E_RNA)
where:
Base-Base interactions energy: -1224.608
where: short stacking energy: -518.716
Base-Backbone interact. energy: 5.773
local terms energy: -621.289776
where:
bonds (distance) C4'-P energy: -135.202
bonds (distance) P-C4' energy: -131.283
flat angles C4'-P-C4' energy: -125.379
flat angles P-C4'-P energy: -96.862
tors. eta vs tors. theta energy: -132.564
Dist. restrs. and SS energy: 5.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2822.261410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.261410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.095436 (E_RNA)
where:
Base-Base interactions energy: -1928.497
where: short stacking energy: -832.769
Base-Backbone interact. energy: -4.674
local terms energy: -890.924367
where:
bonds (distance) C4'-P energy: -163.223
bonds (distance) P-C4' energy: -166.565
flat angles C4'-P-C4' energy: -185.347
flat angles P-C4'-P energy: -132.974
tors. eta vs tors. theta energy: -242.815
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: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2746.168602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.168602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.662811 (E_RNA)
where:
Base-Base interactions energy: -1878.017
where: short stacking energy: -819.834
Base-Backbone interact. energy: -4.393
local terms energy: -866.252960
where:
bonds (distance) C4'-P energy: -150.545
bonds (distance) P-C4' energy: -156.694
flat angles C4'-P-C4' energy: -194.130
flat angles P-C4'-P energy: -124.564
tors. eta vs tors. theta energy: -240.320
Dist. restrs. and SS energy: 2.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2640.628345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.628345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.727537 (E_RNA)
where:
Base-Base interactions energy: -1833.926
where: short stacking energy: -762.808
Base-Backbone interact. energy: 1.205
local terms energy: -810.007189
where:
bonds (distance) C4'-P energy: -154.814
bonds (distance) P-C4' energy: -151.681
flat angles C4'-P-C4' energy: -172.176
flat angles P-C4'-P energy: -105.190
tors. eta vs tors. theta energy: -226.146
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2560.928524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.928524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.348008 (E_RNA)
where:
Base-Base interactions energy: -1769.985
where: short stacking energy: -729.852
Base-Backbone interact. energy: -0.437
local terms energy: -791.925369
where:
bonds (distance) C4'-P energy: -137.081
bonds (distance) P-C4' energy: -166.868
flat angles C4'-P-C4' energy: -174.591
flat angles P-C4'-P energy: -109.199
tors. eta vs tors. theta energy: -204.187
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: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2351.472943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.472943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.276162 (E_RNA)
where:
Base-Base interactions energy: -1584.039
where: short stacking energy: -715.268
Base-Backbone interact. energy: -3.018
local terms energy: -766.218880
where:
bonds (distance) C4'-P energy: -135.664
bonds (distance) P-C4' energy: -167.831
flat angles C4'-P-C4' energy: -169.632
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -202.674
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2204.888939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.888939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.122701 (E_RNA)
where:
Base-Base interactions energy: -1486.481
where: short stacking energy: -627.525
Base-Backbone interact. energy: -2.459
local terms energy: -717.182725
where:
bonds (distance) C4'-P energy: -133.201
bonds (distance) P-C4' energy: -155.035
flat angles C4'-P-C4' energy: -155.033
flat angles P-C4'-P energy: -109.327
tors. eta vs tors. theta energy: -164.587
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: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2115.851625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.851625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.355983 (E_RNA)
where:
Base-Base interactions energy: -1431.508
where: short stacking energy: -626.623
Base-Backbone interact. energy: -0.889
local terms energy: -686.958580
where:
bonds (distance) C4'-P energy: -126.970
bonds (distance) P-C4' energy: -120.113
flat angles C4'-P-C4' energy: -162.686
flat angles P-C4'-P energy: -103.944
tors. eta vs tors. theta energy: -173.246
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1996.362412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.362412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.514743 (E_RNA)
where:
Base-Base interactions energy: -1357.167
where: short stacking energy: -587.654
Base-Backbone interact. energy: -2.386
local terms energy: -638.962084
where:
bonds (distance) C4'-P energy: -137.031
bonds (distance) P-C4' energy: -108.496
flat angles C4'-P-C4' energy: -161.868
flat angles P-C4'-P energy: -88.034
tors. eta vs tors. theta energy: -143.534
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: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1945.660595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.660595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.600969 (E_RNA)
where:
Base-Base interactions energy: -1337.079
where: short stacking energy: -554.403
Base-Backbone interact. energy: -1.859
local terms energy: -610.662575
where:
bonds (distance) C4'-P energy: -118.776
bonds (distance) P-C4' energy: -141.255
flat angles C4'-P-C4' energy: -126.047
flat angles P-C4'-P energy: -89.235
tors. eta vs tors. theta energy: -135.349
Dist. restrs. and SS energy: 3.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1900.399885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.399885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.426833 (E_RNA)
where:
Base-Base interactions energy: -1297.851
where: short stacking energy: -521.215
Base-Backbone interact. energy: -1.685
local terms energy: -605.890826
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -127.534
flat angles C4'-P-C4' energy: -137.372
flat angles P-C4'-P energy: -100.032
tors. eta vs tors. theta energy: -128.632
Dist. restrs. and SS energy: 5.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2792.911023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.911023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.247116 (E_RNA)
where:
Base-Base interactions energy: -1931.959
where: short stacking energy: -828.235
Base-Backbone interact. energy: -2.335
local terms energy: -859.953108
where:
bonds (distance) C4'-P energy: -170.502
bonds (distance) P-C4' energy: -144.708
flat angles C4'-P-C4' energy: -186.023
flat angles P-C4'-P energy: -126.126
tors. eta vs tors. theta energy: -232.593
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: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2735.096698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.096698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.424196 (E_RNA)
where:
Base-Base interactions energy: -1907.028
where: short stacking energy: -795.557
Base-Backbone interact. energy: -3.812
local terms energy: -825.584425
where:
bonds (distance) C4'-P energy: -145.558
bonds (distance) P-C4' energy: -153.686
flat angles C4'-P-C4' energy: -175.172
flat angles P-C4'-P energy: -132.553
tors. eta vs tors. theta energy: -218.614
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: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2636.254049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.254049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.553398 (E_RNA)
where:
Base-Base interactions energy: -1833.804
where: short stacking energy: -768.589
Base-Backbone interact. energy: -3.467
local terms energy: -800.282579
where:
bonds (distance) C4'-P energy: -150.224
bonds (distance) P-C4' energy: -141.444
flat angles C4'-P-C4' energy: -173.731
flat angles P-C4'-P energy: -115.960
tors. eta vs tors. theta energy: -218.924
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: 4, replica: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2555.679660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.679660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.600426 (E_RNA)
where:
Base-Base interactions energy: -1771.277
where: short stacking energy: -738.168
Base-Backbone interact. energy: 0.654
local terms energy: -786.976802
where:
bonds (distance) C4'-P energy: -138.472
bonds (distance) P-C4' energy: -142.557
flat angles C4'-P-C4' energy: -167.785
flat angles P-C4'-P energy: -116.961
tors. eta vs tors. theta energy: -221.202
Dist. restrs. and SS energy: 1.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2225.347275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.347275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.680611 (E_RNA)
where:
Base-Base interactions energy: -1480.191
where: short stacking energy: -638.605
Base-Backbone interact. energy: -0.524
local terms energy: -746.965700
where:
bonds (distance) C4'-P energy: -148.681
bonds (distance) P-C4' energy: -150.364
flat angles C4'-P-C4' energy: -152.446
flat angles P-C4'-P energy: -122.223
tors. eta vs tors. theta energy: -173.252
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: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2258.970446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.970446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.160918 (E_RNA)
where:
Base-Base interactions energy: -1552.866
where: short stacking energy: -665.977
Base-Backbone interact. energy: -3.768
local terms energy: -704.526752
where:
bonds (distance) C4'-P energy: -130.575
bonds (distance) P-C4' energy: -142.543
flat angles C4'-P-C4' energy: -163.155
flat angles P-C4'-P energy: -84.712
tors. eta vs tors. theta energy: -183.541
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2113.530371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.530371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.386917 (E_RNA)
where:
Base-Base interactions energy: -1459.070
where: short stacking energy: -632.030
Base-Backbone interact. energy: -0.489
local terms energy: -656.828039
where:
bonds (distance) C4'-P energy: -111.005
bonds (distance) P-C4' energy: -130.127
flat angles C4'-P-C4' energy: -143.600
flat angles P-C4'-P energy: -86.424
tors. eta vs tors. theta energy: -185.671
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2011.212647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.178725 (E_RNA)
where:
Base-Base interactions energy: -1349.674
where: short stacking energy: -573.052
Base-Backbone interact. energy: -0.171
local terms energy: -663.334030
where:
bonds (distance) C4'-P energy: -128.652
bonds (distance) P-C4' energy: -151.410
flat angles C4'-P-C4' energy: -146.291
flat angles P-C4'-P energy: -89.559
tors. eta vs tors. theta energy: -147.422
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: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1937.435657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.435657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.172785 (E_RNA)
where:
Base-Base interactions energy: -1326.190
where: short stacking energy: -562.333
Base-Backbone interact. energy: 1.281
local terms energy: -617.263392
where:
bonds (distance) C4'-P energy: -121.533
bonds (distance) P-C4' energy: -140.694
flat angles C4'-P-C4' energy: -134.803
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -143.145
Dist. restrs. and SS energy: 4.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1822.537451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.537451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.406473 (E_RNA)
where:
Base-Base interactions energy: -1261.793
where: short stacking energy: -515.148
Base-Backbone interact. energy: -3.828
local terms energy: -560.785692
where:
bonds (distance) C4'-P energy: -111.358
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -138.299
flat angles P-C4'-P energy: -78.974
tors. eta vs tors. theta energy: -116.350
Dist. restrs. and SS energy: 3.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2819.294155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.294155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.924548 (E_RNA)
where:
Base-Base interactions energy: -1928.139
where: short stacking energy: -802.937
Base-Backbone interact. energy: -5.642
local terms energy: -887.144241
where:
bonds (distance) C4'-P energy: -167.166
bonds (distance) P-C4' energy: -182.598
flat angles C4'-P-C4' energy: -185.319
flat angles P-C4'-P energy: -114.672
tors. eta vs tors. theta energy: -237.389
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: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2785.608965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.348303 (E_RNA)
where:
Base-Base interactions energy: -1924.872
where: short stacking energy: -819.468
Base-Backbone interact. energy: -1.082
local terms energy: -861.393823
where:
bonds (distance) C4'-P energy: -163.339
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -187.187
flat angles P-C4'-P energy: -125.373
tors. eta vs tors. theta energy: -235.102
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: 207
Temperature: 1.000000
Total energy: -2685.142538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.142538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.167125 (E_RNA)
where:
Base-Base interactions energy: -1868.220
where: short stacking energy: -781.157
Base-Backbone interact. energy: 4.283
local terms energy: -822.229372
where:
bonds (distance) C4'-P energy: -152.056
bonds (distance) P-C4' energy: -160.488
flat angles C4'-P-C4' energy: -168.535
flat angles P-C4'-P energy: -113.887
tors. eta vs tors. theta energy: -227.264
Dist. restrs. and SS energy: 1.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2575.812376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.812376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.202289 (E_RNA)
where:
Base-Base interactions energy: -1764.451
where: short stacking energy: -733.011
Base-Backbone interact. energy: -2.919
local terms energy: -809.832956
where:
bonds (distance) C4'-P energy: -137.543
bonds (distance) P-C4' energy: -159.556
flat angles C4'-P-C4' energy: -171.499
flat angles P-C4'-P energy: -119.638
tors. eta vs tors. theta energy: -221.596
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2239.559338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.559338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.077835 (E_RNA)
where:
Base-Base interactions energy: -1502.919
where: short stacking energy: -672.173
Base-Backbone interact. energy: 6.297
local terms energy: -744.455646
where:
bonds (distance) C4'-P energy: -141.503
bonds (distance) P-C4' energy: -144.317
flat angles C4'-P-C4' energy: -166.369
flat angles P-C4'-P energy: -114.719
tors. eta vs tors. theta energy: -177.547
Dist. restrs. and SS energy: 1.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2221.272784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.272784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.037798 (E_RNA)
where:
Base-Base interactions energy: -1513.052
where: short stacking energy: -669.826
Base-Backbone interact. energy: -1.480
local terms energy: -709.505974
where:
bonds (distance) C4'-P energy: -120.930
bonds (distance) P-C4' energy: -144.020
flat angles C4'-P-C4' energy: -165.544
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -184.559
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: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2130.810344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.810344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.769439 (E_RNA)
where:
Base-Base interactions energy: -1449.443
where: short stacking energy: -610.909
Base-Backbone interact. energy: 1.170
local terms energy: -684.496539
where:
bonds (distance) C4'-P energy: -136.604
bonds (distance) P-C4' energy: -129.604
flat angles C4'-P-C4' energy: -158.769
flat angles P-C4'-P energy: -93.422
tors. eta vs tors. theta energy: -166.098
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: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2027.925300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.925300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.991863 (E_RNA)
where:
Base-Base interactions energy: -1392.881
where: short stacking energy: -599.759
Base-Backbone interact. energy: 4.800
local terms energy: -642.910216
where:
bonds (distance) C4'-P energy: -125.309
bonds (distance) P-C4' energy: -115.868
flat angles C4'-P-C4' energy: -137.402
flat angles P-C4'-P energy: -112.867
tors. eta vs tors. theta energy: -151.464
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1989.205485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.205485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.083887 (E_RNA)
where:
Base-Base interactions energy: -1363.153
where: short stacking energy: -566.523
Base-Backbone interact. energy: 0.843
local terms energy: -630.774241
where:
bonds (distance) C4'-P energy: -116.907
bonds (distance) P-C4' energy: -129.577
flat angles C4'-P-C4' energy: -147.415
flat angles P-C4'-P energy: -79.285
tors. eta vs tors. theta energy: -157.590
Dist. restrs. and SS energy: 3.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1864.672762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.672762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.988466 (E_RNA)
where:
Base-Base interactions energy: -1253.097
where: short stacking energy: -530.054
Base-Backbone interact. energy: -0.813
local terms energy: -614.078915
where:
bonds (distance) C4'-P energy: -116.062
bonds (distance) P-C4' energy: -126.881
flat angles C4'-P-C4' energy: -144.369
flat angles P-C4'-P energy: -96.103
tors. eta vs tors. theta energy: -130.665
Dist. restrs. and SS energy: 3.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2830.450019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.450019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.812264 (E_RNA)
where:
Base-Base interactions energy: -1947.080
where: short stacking energy: -789.347
Base-Backbone interact. energy: 3.187
local terms energy: -887.919155
where:
bonds (distance) C4'-P energy: -153.916
bonds (distance) P-C4' energy: -173.254
flat angles C4'-P-C4' energy: -197.965
flat angles P-C4'-P energy: -140.210
tors. eta vs tors. theta energy: -222.574
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: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2747.904363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.904363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.764344 (E_RNA)
where:
Base-Base interactions energy: -1932.414
where: short stacking energy: -832.177
Base-Backbone interact. energy: 2.473
local terms energy: -820.823762
where:
bonds (distance) C4'-P energy: -136.904
bonds (distance) P-C4' energy: -165.172
flat angles C4'-P-C4' energy: -173.903
flat angles P-C4'-P energy: -114.658
tors. eta vs tors. theta energy: -230.187
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: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2644.740109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.740109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.536609 (E_RNA)
where:
Base-Base interactions energy: -1814.898
where: short stacking energy: -776.487
Base-Backbone interact. energy: 0.263
local terms energy: -831.901416
where:
bonds (distance) C4'-P energy: -157.074
bonds (distance) P-C4' energy: -158.389
flat angles C4'-P-C4' energy: -178.567
flat angles P-C4'-P energy: -108.509
tors. eta vs tors. theta energy: -229.363
Dist. restrs. and SS energy: 1.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2581.900082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.595711 (E_RNA)
where:
Base-Base interactions energy: -1793.946
where: short stacking energy: -762.894
Base-Backbone interact. energy: 1.538
local terms energy: -791.188313
where:
bonds (distance) C4'-P energy: -149.429
bonds (distance) P-C4' energy: -158.974
flat angles C4'-P-C4' energy: -169.334
flat angles P-C4'-P energy: -98.519
tors. eta vs tors. theta energy: -214.933
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: 5, replica: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2277.726121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.726121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.071528 (E_RNA)
where:
Base-Base interactions energy: -1514.841
where: short stacking energy: -656.517
Base-Backbone interact. energy: 4.607
local terms energy: -768.837392
where:
bonds (distance) C4'-P energy: -131.126
bonds (distance) P-C4' energy: -161.686
flat angles C4'-P-C4' energy: -169.541
flat angles P-C4'-P energy: -117.958
tors. eta vs tors. theta energy: -188.527
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: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2245.533535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.533535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.734483 (E_RNA)
where:
Base-Base interactions energy: -1526.272
where: short stacking energy: -617.730
Base-Backbone interact. energy: -3.351
local terms energy: -718.110938
where:
bonds (distance) C4'-P energy: -129.617
bonds (distance) P-C4' energy: -156.320
flat angles C4'-P-C4' energy: -156.069
flat angles P-C4'-P energy: -106.215
tors. eta vs tors. theta energy: -169.890
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: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2077.368373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.368373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.414562 (E_RNA)
where:
Base-Base interactions energy: -1383.536
where: short stacking energy: -618.148
Base-Backbone interact. energy: 1.094
local terms energy: -698.972836
where:
bonds (distance) C4'-P energy: -134.994
bonds (distance) P-C4' energy: -156.453
flat angles C4'-P-C4' energy: -149.623
flat angles P-C4'-P energy: -100.766
tors. eta vs tors. theta energy: -157.137
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: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2057.326822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.326822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.337864 (E_RNA)
where:
Base-Base interactions energy: -1376.865
where: short stacking energy: -578.301
Base-Backbone interact. energy: -2.161
local terms energy: -681.311254
where:
bonds (distance) C4'-P energy: -132.939
bonds (distance) P-C4' energy: -139.305
flat angles C4'-P-C4' energy: -143.272
flat angles P-C4'-P energy: -97.258
tors. eta vs tors. theta energy: -168.537
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: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1957.920917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.920917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.390901 (E_RNA)
where:
Base-Base interactions energy: -1323.448
where: short stacking energy: -560.425
Base-Backbone interact. energy: 7.738
local terms energy: -644.680636
where:
bonds (distance) C4'-P energy: -137.508
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -93.279
tors. eta vs tors. theta energy: -140.324
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: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1838.103452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.103452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.190020 (E_RNA)
where:
Base-Base interactions energy: -1261.747
where: short stacking energy: -505.393
Base-Backbone interact. energy: -0.355
local terms energy: -580.088385
where:
bonds (distance) C4'-P energy: -102.388
bonds (distance) P-C4' energy: -132.841
flat angles C4'-P-C4' energy: -146.198
flat angles P-C4'-P energy: -73.038
tors. eta vs tors. theta energy: -125.624
Dist. restrs. and SS energy: 4.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2808.131311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.798797 (E_RNA)
where:
Base-Base interactions energy: -1934.189
where: short stacking energy: -815.610
Base-Backbone interact. energy: 1.523
local terms energy: -877.132191
where:
bonds (distance) C4'-P energy: -162.477
bonds (distance) P-C4' energy: -165.365
flat angles C4'-P-C4' energy: -185.342
flat angles P-C4'-P energy: -124.825
tors. eta vs tors. theta energy: -239.123
Dist. restrs. and SS energy: 1.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2766.215272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.215272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.859369 (E_RNA)
where:
Base-Base interactions energy: -1885.324
where: short stacking energy: -776.665
Base-Backbone interact. energy: -4.821
local terms energy: -878.714623
where:
bonds (distance) C4'-P energy: -166.606
bonds (distance) P-C4' energy: -164.619
flat angles C4'-P-C4' energy: -188.547
flat angles P-C4'-P energy: -133.459
tors. eta vs tors. theta energy: -225.484
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: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2683.275059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.275059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.508489 (E_RNA)
where:
Base-Base interactions energy: -1839.491
where: short stacking energy: -776.372
Base-Backbone interact. energy: -2.410
local terms energy: -843.606919
where:
bonds (distance) C4'-P energy: -152.091
bonds (distance) P-C4' energy: -162.127
flat angles C4'-P-C4' energy: -180.428
flat angles P-C4'-P energy: -116.099
tors. eta vs tors. theta energy: -232.862
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2531.214658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.214658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.484293 (E_RNA)
where:
Base-Base interactions energy: -1737.513
where: short stacking energy: -727.149
Base-Backbone interact. energy: 1.692
local terms energy: -796.663419
where:
bonds (distance) C4'-P energy: -141.145
bonds (distance) P-C4' energy: -152.244
flat angles C4'-P-C4' energy: -171.607
flat angles P-C4'-P energy: -115.667
tors. eta vs tors. theta energy: -216.000
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: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2258.358091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.358091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.594631 (E_RNA)
where:
Base-Base interactions energy: -1525.652
where: short stacking energy: -661.949
Base-Backbone interact. energy: 4.373
local terms energy: -739.315676
where:
bonds (distance) C4'-P energy: -149.958
bonds (distance) P-C4' energy: -144.809
flat angles C4'-P-C4' energy: -172.302
flat angles P-C4'-P energy: -109.425
tors. eta vs tors. theta energy: -162.822
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: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2234.950497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.950497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.142282 (E_RNA)
where:
Base-Base interactions energy: -1518.675
where: short stacking energy: -625.937
Base-Backbone interact. energy: -5.519
local terms energy: -712.947587
where:
bonds (distance) C4'-P energy: -134.000
bonds (distance) P-C4' energy: -137.742
flat angles C4'-P-C4' energy: -157.175
flat angles P-C4'-P energy: -101.623
tors. eta vs tors. theta energy: -182.407
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: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2103.633649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.633649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.096640 (E_RNA)
where:
Base-Base interactions energy: -1418.453
where: short stacking energy: -580.919
Base-Backbone interact. energy: 1.086
local terms energy: -689.729033
where:
bonds (distance) C4'-P energy: -144.775
bonds (distance) P-C4' energy: -135.930
flat angles C4'-P-C4' energy: -149.948
flat angles P-C4'-P energy: -98.744
tors. eta vs tors. theta energy: -160.332
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -2069.275837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.275837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.444391 (E_RNA)
where:
Base-Base interactions energy: -1407.226
where: short stacking energy: -584.831
Base-Backbone interact. energy: -1.950
local terms energy: -662.268510
where:
bonds (distance) C4'-P energy: -137.189
bonds (distance) P-C4' energy: -132.667
flat angles C4'-P-C4' energy: -137.565
flat angles P-C4'-P energy: -92.598
tors. eta vs tors. theta energy: -162.250
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: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1934.776221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.776221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.855045 (E_RNA)
where:
Base-Base interactions energy: -1332.644
where: short stacking energy: -571.133
Base-Backbone interact. energy: -0.677
local terms energy: -604.533466
where:
bonds (distance) C4'-P energy: -132.662
bonds (distance) P-C4' energy: -118.840
flat angles C4'-P-C4' energy: -142.650
flat angles P-C4'-P energy: -80.955
tors. eta vs tors. theta energy: -129.426
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: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1847.914369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.914369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.951863 (E_RNA)
where:
Base-Base interactions energy: -1253.954
where: short stacking energy: -514.341
Base-Backbone interact. energy: -1.959
local terms energy: -597.038997
where:
bonds (distance) C4'-P energy: -138.951
bonds (distance) P-C4' energy: -114.818
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -88.014
tors. eta vs tors. theta energy: -118.472
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2772.224021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.224021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.946573 (E_RNA)
where:
Base-Base interactions energy: -1926.288
where: short stacking energy: -807.919
Base-Backbone interact. energy: 2.498
local terms energy: -849.156720
where:
bonds (distance) C4'-P energy: -156.907
bonds (distance) P-C4' energy: -158.225
flat angles C4'-P-C4' energy: -169.199
flat angles P-C4'-P energy: -131.405
tors. eta vs tors. theta energy: -233.420
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: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2766.754923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.754923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.408388 (E_RNA)
where:
Base-Base interactions energy: -1917.177
where: short stacking energy: -810.854
Base-Backbone interact. energy: -3.319
local terms energy: -848.911816
where:
bonds (distance) C4'-P energy: -149.925
bonds (distance) P-C4' energy: -145.280
flat angles C4'-P-C4' energy: -186.992
flat angles P-C4'-P energy: -126.549
tors. eta vs tors. theta energy: -240.166
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2686.893714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.893714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.843737 (E_RNA)
where:
Base-Base interactions energy: -1835.092
where: short stacking energy: -799.075
Base-Backbone interact. energy: -1.822
local terms energy: -852.929442
where:
bonds (distance) C4'-P energy: -163.767
bonds (distance) P-C4' energy: -143.025
flat angles C4'-P-C4' energy: -167.772
flat angles P-C4'-P energy: -135.302
tors. eta vs tors. theta energy: -243.063
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: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2563.650201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.650201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.904349 (E_RNA)
where:
Base-Base interactions energy: -1750.126
where: short stacking energy: -745.797
Base-Backbone interact. energy: -3.791
local terms energy: -810.986934
where:
bonds (distance) C4'-P energy: -146.879
bonds (distance) P-C4' energy: -159.667
flat angles C4'-P-C4' energy: -170.190
flat angles P-C4'-P energy: -109.611
tors. eta vs tors. theta energy: -224.641
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: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2287.481163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.481163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.930858 (E_RNA)
where:
Base-Base interactions energy: -1517.132
where: short stacking energy: -646.471
Base-Backbone interact. energy: 0.722
local terms energy: -772.521241
where:
bonds (distance) C4'-P energy: -154.588
bonds (distance) P-C4' energy: -150.593
flat angles C4'-P-C4' energy: -167.073
flat angles P-C4'-P energy: -120.017
tors. eta vs tors. theta energy: -180.250
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2259.924940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.924940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.044235 (E_RNA)
where:
Base-Base interactions energy: -1525.797
where: short stacking energy: -653.163
Base-Backbone interact. energy: 3.295
local terms energy: -738.541801
where:
bonds (distance) C4'-P energy: -142.055
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -164.851
flat angles P-C4'-P energy: -97.548
tors. eta vs tors. theta energy: -204.834
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: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2133.413606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.413606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.640272 (E_RNA)
where:
Base-Base interactions energy: -1455.087
where: short stacking energy: -610.915
Base-Backbone interact. energy: -2.497
local terms energy: -678.056479
where:
bonds (distance) C4'-P energy: -135.144
bonds (distance) P-C4' energy: -132.021
flat angles C4'-P-C4' energy: -137.477
flat angles P-C4'-P energy: -109.642
tors. eta vs tors. theta energy: -163.771
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2052.145490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.145490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.944249 (E_RNA)
where:
Base-Base interactions energy: -1418.102
where: short stacking energy: -594.200
Base-Backbone interact. energy: -1.695
local terms energy: -634.147559
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -126.621
flat angles C4'-P-C4' energy: -136.777
flat angles P-C4'-P energy: -97.835
tors. eta vs tors. theta energy: -153.538
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: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1955.053393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.053393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.907933 (E_RNA)
where:
Base-Base interactions energy: -1320.519
where: short stacking energy: -575.364
Base-Backbone interact. energy: -1.395
local terms energy: -636.993936
where:
bonds (distance) C4'-P energy: -108.413
bonds (distance) P-C4' energy: -133.746
flat angles C4'-P-C4' energy: -149.097
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -153.894
Dist. restrs. and SS energy: 3.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1795.239990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.239990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.443116 (E_RNA)
where:
Base-Base interactions energy: -1220.285
where: short stacking energy: -509.890
Base-Backbone interact. energy: -0.371
local terms energy: -577.786848
where:
bonds (distance) C4'-P energy: -118.741
bonds (distance) P-C4' energy: -131.617
flat angles C4'-P-C4' energy: -136.818
flat angles P-C4'-P energy: -71.673
tors. eta vs tors. theta energy: -118.939
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2781.288699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.288699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.135762 (E_RNA)
where:
Base-Base interactions energy: -1913.027
where: short stacking energy: -786.029
Base-Backbone interact. energy: -5.237
local terms energy: -863.871859
where:
bonds (distance) C4'-P energy: -178.542
bonds (distance) P-C4' energy: -160.428
flat angles C4'-P-C4' energy: -180.371
flat angles P-C4'-P energy: -123.476
tors. eta vs tors. theta energy: -221.055
Dist. restrs. and SS energy: 0.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2762.714492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.714492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.290785 (E_RNA)
where:
Base-Base interactions energy: -1925.397
where: short stacking energy: -808.436
Base-Backbone interact. energy: -4.154
local terms energy: -834.739318
where:
bonds (distance) C4'-P energy: -136.889
bonds (distance) P-C4' energy: -152.305
flat angles C4'-P-C4' energy: -179.542
flat angles P-C4'-P energy: -124.196
tors. eta vs tors. theta energy: -241.808
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: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2638.833042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.833042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.888111 (E_RNA)
where:
Base-Base interactions energy: -1837.074
where: short stacking energy: -754.865
Base-Backbone interact. energy: -0.473
local terms energy: -802.341424
where:
bonds (distance) C4'-P energy: -156.859
bonds (distance) P-C4' energy: -144.114
flat angles C4'-P-C4' energy: -162.996
flat angles P-C4'-P energy: -113.128
tors. eta vs tors. theta energy: -225.244
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: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2557.763676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.763676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.097250 (E_RNA)
where:
Base-Base interactions energy: -1759.324
where: short stacking energy: -754.752
Base-Backbone interact. energy: -5.290
local terms energy: -795.482459
where:
bonds (distance) C4'-P energy: -153.243
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -145.693
flat angles P-C4'-P energy: -108.828
tors. eta vs tors. theta energy: -233.804
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: 5, replica: 9
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2296.953103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.953103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.291428 (E_RNA)
where:
Base-Base interactions energy: -1542.082
where: short stacking energy: -671.529
Base-Backbone interact. energy: -0.189
local terms energy: -756.020690
where:
bonds (distance) C4'-P energy: -150.339
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -176.515
flat angles P-C4'-P energy: -108.446
tors. eta vs tors. theta energy: -185.409
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: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2178.620884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.620884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.096692 (E_RNA)
where:
Base-Base interactions energy: -1460.540
where: short stacking energy: -615.923
Base-Backbone interact. energy: 2.895
local terms energy: -722.451612
where:
bonds (distance) C4'-P energy: -145.515
bonds (distance) P-C4' energy: -135.658
flat angles C4'-P-C4' energy: -164.366
flat angles P-C4'-P energy: -117.150
tors. eta vs tors. theta energy: -159.764
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2063.993603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.993603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.951430 (E_RNA)
where:
Base-Base interactions energy: -1375.333
where: short stacking energy: -583.408
Base-Backbone interact. energy: 5.182
local terms energy: -696.799831
where:
bonds (distance) C4'-P energy: -132.708
bonds (distance) P-C4' energy: -137.447
flat angles C4'-P-C4' energy: -151.473
flat angles P-C4'-P energy: -107.780
tors. eta vs tors. theta energy: -167.393
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1983.006628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.006628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.261722 (E_RNA)
where:
Base-Base interactions energy: -1344.922
where: short stacking energy: -547.454
Base-Backbone interact. energy: -5.661
local terms energy: -634.678645
where:
bonds (distance) C4'-P energy: -114.324
bonds (distance) P-C4' energy: -129.582
flat angles C4'-P-C4' energy: -159.991
flat angles P-C4'-P energy: -99.503
tors. eta vs tors. theta energy: -131.280
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1881.476348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.476348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.375040 (E_RNA)
where:
Base-Base interactions energy: -1315.346
where: short stacking energy: -559.882
Base-Backbone interact. energy: 3.924
local terms energy: -574.953776
where:
bonds (distance) C4'-P energy: -96.999
bonds (distance) P-C4' energy: -111.097
flat angles C4'-P-C4' energy: -154.967
flat angles P-C4'-P energy: -81.093
tors. eta vs tors. theta energy: -130.796
Dist. restrs. and SS energy: 4.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1809.634636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.634636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.183499 (E_RNA)
where:
Base-Base interactions energy: -1206.767
where: short stacking energy: -487.547
Base-Backbone interact. energy: 1.666
local terms energy: -608.081884
where:
bonds (distance) C4'-P energy: -138.896
bonds (distance) P-C4' energy: -137.574
flat angles C4'-P-C4' energy: -151.246
flat angles P-C4'-P energy: -66.068
tors. eta vs tors. theta energy: -114.297
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: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2781.900360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.900360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.223415 (E_RNA)
where:
Base-Base interactions energy: -1933.582
where: short stacking energy: -826.482
Base-Backbone interact. energy: 1.684
local terms energy: -851.324517
where:
bonds (distance) C4'-P energy: -155.796
bonds (distance) P-C4' energy: -166.160
flat angles C4'-P-C4' energy: -174.787
flat angles P-C4'-P energy: -121.900
tors. eta vs tors. theta energy: -232.682
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: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2731.549074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.549074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.857075 (E_RNA)
where:
Base-Base interactions energy: -1875.348
where: short stacking energy: -808.392
Base-Backbone interact. energy: -2.675
local terms energy: -856.833281
where:
bonds (distance) C4'-P energy: -159.219
bonds (distance) P-C4' energy: -155.328
flat angles C4'-P-C4' energy: -177.893
flat angles P-C4'-P energy: -133.907
tors. eta vs tors. theta energy: -230.487
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: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2672.535937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.535937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.811719 (E_RNA)
where:
Base-Base interactions energy: -1883.043
where: short stacking energy: -786.384
Base-Backbone interact. energy: -5.031
local terms energy: -785.737471
where:
bonds (distance) C4'-P energy: -134.339
bonds (distance) P-C4' energy: -128.770
flat angles C4'-P-C4' energy: -169.166
flat angles P-C4'-P energy: -126.043
tors. eta vs tors. theta energy: -227.419
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2504.774911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.774911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.349155 (E_RNA)
where:
Base-Base interactions energy: -1714.241
where: short stacking energy: -729.808
Base-Backbone interact. energy: -4.097
local terms energy: -788.010840
where:
bonds (distance) C4'-P energy: -148.706
bonds (distance) P-C4' energy: -146.889
flat angles C4'-P-C4' energy: -170.956
flat angles P-C4'-P energy: -110.197
tors. eta vs tors. theta energy: -211.263
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: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2235.527205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.527205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.398042 (E_RNA)
where:
Base-Base interactions energy: -1510.828
where: short stacking energy: -660.788
Base-Backbone interact. energy: -0.542
local terms energy: -728.027588
where:
bonds (distance) C4'-P energy: -141.978
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -148.925
flat angles P-C4'-P energy: -117.395
tors. eta vs tors. theta energy: -186.420
Dist. restrs. and SS energy: 3.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2145.098178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.098178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.462627 (E_RNA)
where:
Base-Base interactions energy: -1457.554
where: short stacking energy: -631.145
Base-Backbone interact. energy: 2.240
local terms energy: -691.148015
where:
bonds (distance) C4'-P energy: -140.794
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -173.364
flat angles P-C4'-P energy: -80.586
tors. eta vs tors. theta energy: -164.796
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2089.155207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.155207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.577343 (E_RNA)
where:
Base-Base interactions energy: -1440.579
where: short stacking energy: -613.005
Base-Backbone interact. energy: -2.181
local terms energy: -648.816504
where:
bonds (distance) C4'-P energy: -126.351
bonds (distance) P-C4' energy: -119.593
flat angles C4'-P-C4' energy: -149.170
flat angles P-C4'-P energy: -91.152
tors. eta vs tors. theta energy: -162.550
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2018.289640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.289640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.553788 (E_RNA)
where:
Base-Base interactions energy: -1391.121
where: short stacking energy: -619.448
Base-Backbone interact. energy: -0.546
local terms energy: -630.887512
where:
bonds (distance) C4'-P energy: -105.217
bonds (distance) P-C4' energy: -119.010
flat angles C4'-P-C4' energy: -150.441
flat angles P-C4'-P energy: -103.273
tors. eta vs tors. theta energy: -152.945
Dist. restrs. and SS energy: 4.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1886.675173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.675173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.728751 (E_RNA)
where:
Base-Base interactions energy: -1259.947
where: short stacking energy: -528.891
Base-Backbone interact. energy: 3.422
local terms energy: -633.204270
where:
bonds (distance) C4'-P energy: -139.413
bonds (distance) P-C4' energy: -122.198
flat angles C4'-P-C4' energy: -157.573
flat angles P-C4'-P energy: -83.478
tors. eta vs tors. theta energy: -130.542
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: 212
Temperature: 1.350000
Total energy: -1843.643500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.643500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.270252 (E_RNA)
where:
Base-Base interactions energy: -1277.828
where: short stacking energy: -532.798
Base-Backbone interact. energy: -1.745
local terms energy: -566.697386
where:
bonds (distance) C4'-P energy: -117.442
bonds (distance) P-C4' energy: -118.703
flat angles C4'-P-C4' energy: -137.112
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -129.720
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: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2797.566546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.566546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.294079 (E_RNA)
where:
Base-Base interactions energy: -1930.526
where: short stacking energy: -803.226
Base-Backbone interact. energy: -5.116
local terms energy: -863.652328
where:
bonds (distance) C4'-P energy: -144.838
bonds (distance) P-C4' energy: -155.570
flat angles C4'-P-C4' energy: -195.631
flat angles P-C4'-P energy: -129.815
tors. eta vs tors. theta energy: -237.799
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2759.600581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.600581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.995590 (E_RNA)
where:
Base-Base interactions energy: -1897.655
where: short stacking energy: -819.984
Base-Backbone interact. energy: -2.985
local terms energy: -860.354994
where:
bonds (distance) C4'-P energy: -154.332
bonds (distance) P-C4' energy: -162.765
flat angles C4'-P-C4' energy: -182.848
flat angles P-C4'-P energy: -120.651
tors. eta vs tors. theta energy: -239.758
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: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2667.233504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.233504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.481258 (E_RNA)
where:
Base-Base interactions energy: -1824.348
where: short stacking energy: -780.697
Base-Backbone interact. energy: -2.320
local terms energy: -842.812991
where:
bonds (distance) C4'-P energy: -152.934
bonds (distance) P-C4' energy: -158.933
flat angles C4'-P-C4' energy: -183.227
flat angles P-C4'-P energy: -118.235
tors. eta vs tors. theta energy: -229.485
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: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2548.219361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.219361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.633076 (E_RNA)
where:
Base-Base interactions energy: -1736.782
where: short stacking energy: -746.534
Base-Backbone interact. energy: -1.850
local terms energy: -812.000813
where:
bonds (distance) C4'-P energy: -169.644
bonds (distance) P-C4' energy: -142.521
flat angles C4'-P-C4' energy: -175.585
flat angles P-C4'-P energy: -101.461
tors. eta vs tors. theta energy: -222.790
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: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2260.417860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.417860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.359145 (E_RNA)
where:
Base-Base interactions energy: -1520.647
where: short stacking energy: -666.256
Base-Backbone interact. energy: -0.142
local terms energy: -741.570796
where:
bonds (distance) C4'-P energy: -143.143
bonds (distance) P-C4' energy: -150.277
flat angles C4'-P-C4' energy: -174.510
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -182.469
Dist. restrs. and SS energy: 1.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2196.999813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.999813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.094631 (E_RNA)
where:
Base-Base interactions energy: -1451.484
where: short stacking energy: -624.340
Base-Backbone interact. energy: 2.541
local terms energy: -750.151539
where:
bonds (distance) C4'-P energy: -154.113
bonds (distance) P-C4' energy: -141.576
flat angles C4'-P-C4' energy: -158.725
flat angles P-C4'-P energy: -115.105
tors. eta vs tors. theta energy: -180.633
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: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2119.035597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.374533 (E_RNA)
where:
Base-Base interactions energy: -1444.672
where: short stacking energy: -607.802
Base-Backbone interact. energy: 1.579
local terms energy: -678.282115
where:
bonds (distance) C4'-P energy: -136.393
bonds (distance) P-C4' energy: -124.606
flat angles C4'-P-C4' energy: -170.800
flat angles P-C4'-P energy: -87.294
tors. eta vs tors. theta energy: -159.189
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: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1964.891511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.891511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.834612 (E_RNA)
where:
Base-Base interactions energy: -1320.595
where: short stacking energy: -550.889
Base-Backbone interact. energy: 7.700
local terms energy: -654.938723
where:
bonds (distance) C4'-P energy: -143.064
bonds (distance) P-C4' energy: -141.754
flat angles C4'-P-C4' energy: -143.380
flat angles P-C4'-P energy: -93.468
tors. eta vs tors. theta energy: -133.273
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1913.420983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.420983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.377356 (E_RNA)
where:
Base-Base interactions energy: -1299.012
where: short stacking energy: -532.697
Base-Backbone interact. energy: 1.460
local terms energy: -624.825161
where:
bonds (distance) C4'-P energy: -125.939
bonds (distance) P-C4' energy: -132.673
flat angles C4'-P-C4' energy: -136.119
flat angles P-C4'-P energy: -100.268
tors. eta vs tors. theta energy: -129.826
Dist. restrs. and SS energy: 8.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1860.909378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.909378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.027453 (E_RNA)
where:
Base-Base interactions energy: -1258.022
where: short stacking energy: -514.427
Base-Backbone interact. energy: 1.753
local terms energy: -607.758172
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -117.370
flat angles C4'-P-C4' energy: -131.271
flat angles P-C4'-P energy: -97.676
tors. eta vs tors. theta energy: -133.540
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: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2832.193070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.193070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.760548 (E_RNA)
where:
Base-Base interactions energy: -1974.385
where: short stacking energy: -824.802
Base-Backbone interact. energy: -2.606
local terms energy: -856.769649
where:
bonds (distance) C4'-P energy: -156.322
bonds (distance) P-C4' energy: -161.434
flat angles C4'-P-C4' energy: -182.515
flat angles P-C4'-P energy: -126.516
tors. eta vs tors. theta energy: -229.982
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: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2768.992493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.992493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.164140 (E_RNA)
where:
Base-Base interactions energy: -1927.147
where: short stacking energy: -849.159
Base-Backbone interact. energy: 0.331
local terms energy: -844.348292
where:
bonds (distance) C4'-P energy: -146.967
bonds (distance) P-C4' energy: -156.756
flat angles C4'-P-C4' energy: -168.644
flat angles P-C4'-P energy: -122.191
tors. eta vs tors. theta energy: -249.791
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: 214
Temperature: 1.000000
Total energy: -2672.332897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.332897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.752883 (E_RNA)
where:
Base-Base interactions energy: -1848.032
where: short stacking energy: -758.821
Base-Backbone interact. energy: 4.088
local terms energy: -829.808960
where:
bonds (distance) C4'-P energy: -146.294
bonds (distance) P-C4' energy: -159.873
flat angles C4'-P-C4' energy: -192.948
flat angles P-C4'-P energy: -114.637
tors. eta vs tors. theta energy: -216.057
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2471.941464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.741838 (E_RNA)
where:
Base-Base interactions energy: -1678.152
where: short stacking energy: -706.652
Base-Backbone interact. energy: -2.863
local terms energy: -793.727183
where:
bonds (distance) C4'-P energy: -141.753
bonds (distance) P-C4' energy: -154.477
flat angles C4'-P-C4' energy: -163.005
flat angles P-C4'-P energy: -118.236
tors. eta vs tors. theta energy: -216.256
Dist. restrs. and SS energy: 2.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2257.798807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.803637 (E_RNA)
where:
Base-Base interactions energy: -1478.829
where: short stacking energy: -618.656
Base-Backbone interact. energy: -2.633
local terms energy: -778.342229
where:
bonds (distance) C4'-P energy: -149.967
bonds (distance) P-C4' energy: -163.615
flat angles C4'-P-C4' energy: -170.994
flat angles P-C4'-P energy: -108.741
tors. eta vs tors. theta energy: -185.026
Dist. restrs. and SS energy: 2.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2152.963568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.963568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.549763 (E_RNA)
where:
Base-Base interactions energy: -1459.346
where: short stacking energy: -631.689
Base-Backbone interact. energy: -2.127
local terms energy: -693.076329
where:
bonds (distance) C4'-P energy: -118.027
bonds (distance) P-C4' energy: -152.217
flat angles C4'-P-C4' energy: -155.434
flat angles P-C4'-P energy: -97.344
tors. eta vs tors. theta energy: -170.056
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: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2074.130553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.130553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.328949 (E_RNA)
where:
Base-Base interactions energy: -1397.600
where: short stacking energy: -604.279
Base-Backbone interact. energy: 0.857
local terms energy: -679.585560
where:
bonds (distance) C4'-P energy: -129.497
bonds (distance) P-C4' energy: -135.873
flat angles C4'-P-C4' energy: -159.356
flat angles P-C4'-P energy: -91.825
tors. eta vs tors. theta energy: -163.035
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: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1961.195864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.195864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.257424 (E_RNA)
where:
Base-Base interactions energy: -1345.530
where: short stacking energy: -556.483
Base-Backbone interact. energy: -2.091
local terms energy: -616.635964
where:
bonds (distance) C4'-P energy: -119.277
bonds (distance) P-C4' energy: -143.244
flat angles C4'-P-C4' energy: -145.362
flat angles P-C4'-P energy: -80.164
tors. eta vs tors. theta energy: -128.589
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: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1912.251011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.251011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.640752 (E_RNA)
where:
Base-Base interactions energy: -1311.663
where: short stacking energy: -552.338
Base-Backbone interact. energy: 7.132
local terms energy: -614.109485
where:
bonds (distance) C4'-P energy: -119.407
bonds (distance) P-C4' energy: -141.351
flat angles C4'-P-C4' energy: -154.722
flat angles P-C4'-P energy: -66.530
tors. eta vs tors. theta energy: -132.100
Dist. restrs. and SS energy: 6.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1820.656598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.656598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.909405 (E_RNA)
where:
Base-Base interactions energy: -1250.382
where: short stacking energy: -514.597
Base-Backbone interact. energy: -3.814
local terms energy: -568.712906
where:
bonds (distance) C4'-P energy: -113.697
bonds (distance) P-C4' energy: -135.087
flat angles C4'-P-C4' energy: -128.648
flat angles P-C4'-P energy: -74.251
tors. eta vs tors. theta energy: -117.029
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2797.684944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.684944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.904429 (E_RNA)
where:
Base-Base interactions energy: -1923.100
where: short stacking energy: -800.668
Base-Backbone interact. energy: -3.698
local terms energy: -872.106116
where:
bonds (distance) C4'-P energy: -163.535
bonds (distance) P-C4' energy: -165.012
flat angles C4'-P-C4' energy: -178.123
flat angles P-C4'-P energy: -136.883
tors. eta vs tors. theta energy: -228.553
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: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2719.048325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.048325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.430986 (E_RNA)
where:
Base-Base interactions energy: -1848.148
where: short stacking energy: -819.082
Base-Backbone interact. energy: -3.100
local terms energy: -869.182612
where:
bonds (distance) C4'-P energy: -151.476
bonds (distance) P-C4' energy: -163.159
flat angles C4'-P-C4' energy: -181.224
flat angles P-C4'-P energy: -122.878
tors. eta vs tors. theta energy: -250.447
Dist. restrs. and SS energy: 1.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2663.634467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.634467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.052649 (E_RNA)
where:
Base-Base interactions energy: -1833.679
where: short stacking energy: -774.361
Base-Backbone interact. energy: -5.071
local terms energy: -827.301968
where:
bonds (distance) C4'-P energy: -147.432
bonds (distance) P-C4' energy: -151.067
flat angles C4'-P-C4' energy: -176.606
flat angles P-C4'-P energy: -126.485
tors. eta vs tors. theta energy: -225.711
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: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2478.919197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.919197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.335065 (E_RNA)
where:
Base-Base interactions energy: -1680.246
where: short stacking energy: -716.815
Base-Backbone interact. energy: -0.826
local terms energy: -799.262674
where:
bonds (distance) C4'-P energy: -141.586
bonds (distance) P-C4' energy: -139.448
flat angles C4'-P-C4' energy: -182.215
flat angles P-C4'-P energy: -125.725
tors. eta vs tors. theta energy: -210.289
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: 5, replica: 9
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2262.274278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.274278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.295435 (E_RNA)
where:
Base-Base interactions energy: -1513.727
where: short stacking energy: -679.966
Base-Backbone interact. energy: 2.706
local terms energy: -753.273797
where:
bonds (distance) C4'-P energy: -147.973
bonds (distance) P-C4' energy: -143.524
flat angles C4'-P-C4' energy: -167.888
flat angles P-C4'-P energy: -109.872
tors. eta vs tors. theta energy: -184.016
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2173.686299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.686299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.760481 (E_RNA)
where:
Base-Base interactions energy: -1481.340
where: short stacking energy: -662.684
Base-Backbone interact. energy: 4.747
local terms energy: -699.167285
where:
bonds (distance) C4'-P energy: -134.385
bonds (distance) P-C4' energy: -144.126
flat angles C4'-P-C4' energy: -157.843
flat angles P-C4'-P energy: -89.058
tors. eta vs tors. theta energy: -173.755
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: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2079.617801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.617801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.131700 (E_RNA)
where:
Base-Base interactions energy: -1378.105
where: short stacking energy: -583.389
Base-Backbone interact. energy: -1.264
local terms energy: -701.762592
where:
bonds (distance) C4'-P energy: -136.867
bonds (distance) P-C4' energy: -151.094
flat angles C4'-P-C4' energy: -155.645
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -160.802
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2023.818910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.818910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.824694 (E_RNA)
where:
Base-Base interactions energy: -1406.114
where: short stacking energy: -588.803
Base-Backbone interact. energy: -1.274
local terms energy: -618.436620
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -120.461
flat angles C4'-P-C4' energy: -161.483
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -155.638
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1943.534220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.534220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.754422 (E_RNA)
where:
Base-Base interactions energy: -1295.095
where: short stacking energy: -535.155
Base-Backbone interact. energy: -0.344
local terms energy: -652.314676
where:
bonds (distance) C4'-P energy: -139.597
bonds (distance) P-C4' energy: -127.650
flat angles C4'-P-C4' energy: -152.925
flat angles P-C4'-P energy: -89.828
tors. eta vs tors. theta energy: -142.315
Dist. restrs. and SS energy: 4.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1869.542888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.542888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.688383 (E_RNA)
where:
Base-Base interactions energy: -1287.724
where: short stacking energy: -554.736
Base-Backbone interact. energy: 1.164
local terms energy: -588.128867
where:
bonds (distance) C4'-P energy: -130.446
bonds (distance) P-C4' energy: -119.782
flat angles C4'-P-C4' energy: -123.734
flat angles P-C4'-P energy: -75.483
tors. eta vs tors. theta energy: -138.684
Dist. restrs. and SS energy: 5.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2816.944208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.944208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.134298 (E_RNA)
where:
Base-Base interactions energy: -1936.316
where: short stacking energy: -800.737
Base-Backbone interact. energy: -6.722
local terms energy: -875.097203
where:
bonds (distance) C4'-P energy: -145.442
bonds (distance) P-C4' energy: -167.825
flat angles C4'-P-C4' energy: -192.903
flat angles P-C4'-P energy: -132.024
tors. eta vs tors. theta energy: -236.903
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: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2759.598778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.598778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.245149 (E_RNA)
where:
Base-Base interactions energy: -1887.113
where: short stacking energy: -822.970
Base-Backbone interact. energy: -1.497
local terms energy: -872.635278
where:
bonds (distance) C4'-P energy: -172.852
bonds (distance) P-C4' energy: -165.657
flat angles C4'-P-C4' energy: -174.520
flat angles P-C4'-P energy: -123.752
tors. eta vs tors. theta energy: -235.854
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2683.670938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.670938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.896590 (E_RNA)
where:
Base-Base interactions energy: -1860.108
where: short stacking energy: -783.827
Base-Backbone interact. energy: -3.735
local terms energy: -821.053929
where:
bonds (distance) C4'-P energy: -141.482
bonds (distance) P-C4' energy: -156.071
flat angles C4'-P-C4' energy: -169.486
flat angles P-C4'-P energy: -129.140
tors. eta vs tors. theta energy: -224.875
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: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2456.393643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.393643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.950154 (E_RNA)
where:
Base-Base interactions energy: -1715.927
where: short stacking energy: -727.020
Base-Backbone interact. energy: -3.283
local terms energy: -739.739704
where:
bonds (distance) C4'-P energy: -134.996
bonds (distance) P-C4' energy: -136.628
flat angles C4'-P-C4' energy: -164.208
flat angles P-C4'-P energy: -101.024
tors. eta vs tors. theta energy: -202.883
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: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2270.265806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.265806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.091546 (E_RNA)
where:
Base-Base interactions energy: -1516.723
where: short stacking energy: -642.729
Base-Backbone interact. energy: 1.032
local terms energy: -756.400761
where:
bonds (distance) C4'-P energy: -146.590
bonds (distance) P-C4' energy: -153.884
flat angles C4'-P-C4' energy: -173.394
flat angles P-C4'-P energy: -120.073
tors. eta vs tors. theta energy: -162.460
Dist. restrs. and SS energy: 1.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2212.585280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.585280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.295920 (E_RNA)
where:
Base-Base interactions energy: -1472.940
where: short stacking energy: -626.380
Base-Backbone interact. energy: -1.042
local terms energy: -740.313980
where:
bonds (distance) C4'-P energy: -151.310
bonds (distance) P-C4' energy: -140.503
flat angles C4'-P-C4' energy: -167.553
flat angles P-C4'-P energy: -109.861
tors. eta vs tors. theta energy: -171.088
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2054.207877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.207877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.873450 (E_RNA)
where:
Base-Base interactions energy: -1411.265
where: short stacking energy: -603.321
Base-Backbone interact. energy: -0.090
local terms energy: -644.518359
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -120.983
flat angles C4'-P-C4' energy: -144.787
flat angles P-C4'-P energy: -114.361
tors. eta vs tors. theta energy: -145.547
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: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2003.305262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.305262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.804170 (E_RNA)
where:
Base-Base interactions energy: -1373.299
where: short stacking energy: -599.100
Base-Backbone interact. energy: -1.596
local terms energy: -629.909021
where:
bonds (distance) C4'-P energy: -120.255
bonds (distance) P-C4' energy: -129.968
flat angles C4'-P-C4' energy: -136.589
flat angles P-C4'-P energy: -89.264
tors. eta vs tors. theta energy: -153.833
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1955.739129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.739129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.405355 (E_RNA)
where:
Base-Base interactions energy: -1346.276
where: short stacking energy: -562.316
Base-Backbone interact. energy: -2.819
local terms energy: -609.309707
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -108.294
flat angles C4'-P-C4' energy: -139.854
flat angles P-C4'-P energy: -83.695
tors. eta vs tors. theta energy: -149.221
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1919.255284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.255284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.038337 (E_RNA)
where:
Base-Base interactions energy: -1303.679
where: short stacking energy: -571.422
Base-Backbone interact. energy: 5.638
local terms energy: -623.996834
where:
bonds (distance) C4'-P energy: -128.547
bonds (distance) P-C4' energy: -131.239
flat angles C4'-P-C4' energy: -146.303
flat angles P-C4'-P energy: -78.984
tors. eta vs tors. theta energy: -138.924
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: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2806.976811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.976811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.555612 (E_RNA)
where:
Base-Base interactions energy: -1937.732
where: short stacking energy: -802.253
Base-Backbone interact. energy: -8.626
local terms energy: -862.197909
where:
bonds (distance) C4'-P energy: -163.701
bonds (distance) P-C4' energy: -163.660
flat angles C4'-P-C4' energy: -180.685
flat angles P-C4'-P energy: -121.702
tors. eta vs tors. theta energy: -232.450
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: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2733.859234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.859234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.133960 (E_RNA)
where:
Base-Base interactions energy: -1854.092
where: short stacking energy: -828.369
Base-Backbone interact. energy: -5.011
local terms energy: -876.030148
where:
bonds (distance) C4'-P energy: -161.567
bonds (distance) P-C4' energy: -161.975
flat angles C4'-P-C4' energy: -175.891
flat angles P-C4'-P energy: -133.850
tors. eta vs tors. theta energy: -242.747
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: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2671.348496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.348496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.717135 (E_RNA)
where:
Base-Base interactions energy: -1827.981
where: short stacking energy: -755.058
Base-Backbone interact. energy: -2.161
local terms energy: -843.575215
where:
bonds (distance) C4'-P energy: -157.741
bonds (distance) P-C4' energy: -162.177
flat angles C4'-P-C4' energy: -172.153
flat angles P-C4'-P energy: -127.412
tors. eta vs tors. theta energy: -224.093
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: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2483.871334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.871334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.829688 (E_RNA)
where:
Base-Base interactions energy: -1709.002
where: short stacking energy: -740.158
Base-Backbone interact. energy: 0.031
local terms energy: -776.858570
where:
bonds (distance) C4'-P energy: -135.340
bonds (distance) P-C4' energy: -151.819
flat angles C4'-P-C4' energy: -169.471
flat angles P-C4'-P energy: -106.266
tors. eta vs tors. theta energy: -213.963
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: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2307.115915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.115915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.958549 (E_RNA)
where:
Base-Base interactions energy: -1560.827
where: short stacking energy: -670.545
Base-Backbone interact. energy: -3.661
local terms energy: -744.471037
where:
bonds (distance) C4'-P energy: -133.865
bonds (distance) P-C4' energy: -137.698
flat angles C4'-P-C4' energy: -178.432
flat angles P-C4'-P energy: -118.677
tors. eta vs tors. theta energy: -175.799
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: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2153.782215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.782215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.868817 (E_RNA)
where:
Base-Base interactions energy: -1466.230
where: short stacking energy: -609.849
Base-Backbone interact. energy: 0.067
local terms energy: -690.706080
where:
bonds (distance) C4'-P energy: -132.007
bonds (distance) P-C4' energy: -126.281
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -107.321
tors. eta vs tors. theta energy: -168.836
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2078.772886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.772886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.013493 (E_RNA)
where:
Base-Base interactions energy: -1406.075
where: short stacking energy: -598.319
Base-Backbone interact. energy: 0.210
local terms energy: -675.148409
where:
bonds (distance) C4'-P energy: -127.372
bonds (distance) P-C4' energy: -135.766
flat angles C4'-P-C4' energy: -166.282
flat angles P-C4'-P energy: -93.296
tors. eta vs tors. theta energy: -152.433
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2044.158220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.158220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.222980 (E_RNA)
where:
Base-Base interactions energy: -1376.004
where: short stacking energy: -590.887
Base-Backbone interact. energy: -3.387
local terms energy: -668.832422
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -136.194
flat angles C4'-P-C4' energy: -153.681
flat angles P-C4'-P energy: -114.097
tors. eta vs tors. theta energy: -148.412
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: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1976.466093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.466093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.697814 (E_RNA)
where:
Base-Base interactions energy: -1340.215
where: short stacking energy: -576.561
Base-Backbone interact. energy: 3.632
local terms energy: -643.114705
where:
bonds (distance) C4'-P energy: -120.459
bonds (distance) P-C4' energy: -131.180
flat angles C4'-P-C4' energy: -147.504
flat angles P-C4'-P energy: -92.567
tors. eta vs tors. theta energy: -151.405
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1887.665773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.665773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.779665 (E_RNA)
where:
Base-Base interactions energy: -1284.355
where: short stacking energy: -551.163
Base-Backbone interact. energy: -0.320
local terms energy: -606.103885
where:
bonds (distance) C4'-P energy: -123.341
bonds (distance) P-C4' energy: -120.467
flat angles C4'-P-C4' energy: -133.377
flat angles P-C4'-P energy: -87.912
tors. eta vs tors. theta energy: -141.007
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2818.083641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.083641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.903204 (E_RNA)
where:
Base-Base interactions energy: -1929.294
where: short stacking energy: -783.807
Base-Backbone interact. energy: -4.950
local terms energy: -886.659079
where:
bonds (distance) C4'-P energy: -165.794
bonds (distance) P-C4' energy: -172.362
flat angles C4'-P-C4' energy: -194.412
flat angles P-C4'-P energy: -123.878
tors. eta vs tors. theta energy: -230.213
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: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2745.150347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.150347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.749168 (E_RNA)
where:
Base-Base interactions energy: -1878.851
where: short stacking energy: -829.195
Base-Backbone interact. energy: -2.159
local terms energy: -865.739407
where:
bonds (distance) C4'-P energy: -151.272
bonds (distance) P-C4' energy: -161.757
flat angles C4'-P-C4' energy: -174.907
flat angles P-C4'-P energy: -133.229
tors. eta vs tors. theta energy: -244.573
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2660.398311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.398311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.468341 (E_RNA)
where:
Base-Base interactions energy: -1855.917
where: short stacking energy: -786.033
Base-Backbone interact. energy: 0.312
local terms energy: -806.863344
where:
bonds (distance) C4'-P energy: -145.750
bonds (distance) P-C4' energy: -149.933
flat angles C4'-P-C4' energy: -178.390
flat angles P-C4'-P energy: -104.948
tors. eta vs tors. theta energy: -227.842
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: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2532.780021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.780021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.707860 (E_RNA)
where:
Base-Base interactions energy: -1744.792
where: short stacking energy: -723.814
Base-Backbone interact. energy: -2.603
local terms energy: -787.312702
where:
bonds (distance) C4'-P energy: -145.979
bonds (distance) P-C4' energy: -144.134
flat angles C4'-P-C4' energy: -176.766
flat angles P-C4'-P energy: -102.988
tors. eta vs tors. theta energy: -217.445
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: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2281.383337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.383337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.487222 (E_RNA)
where:
Base-Base interactions energy: -1545.339
where: short stacking energy: -651.048
Base-Backbone interact. energy: 8.826
local terms energy: -746.974226
where:
bonds (distance) C4'-P energy: -139.738
bonds (distance) P-C4' energy: -151.565
flat angles C4'-P-C4' energy: -159.951
flat angles P-C4'-P energy: -104.254
tors. eta vs tors. theta energy: -191.466
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: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2173.591583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.591583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.563521 (E_RNA)
where:
Base-Base interactions energy: -1463.886
where: short stacking energy: -604.219
Base-Backbone interact. energy: 2.872
local terms energy: -714.549758
where:
bonds (distance) C4'-P energy: -149.003
bonds (distance) P-C4' energy: -153.454
flat angles C4'-P-C4' energy: -150.413
flat angles P-C4'-P energy: -95.915
tors. eta vs tors. theta energy: -165.765
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2038.572046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.572046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.445350 (E_RNA)
where:
Base-Base interactions energy: -1384.451
where: short stacking energy: -592.296
Base-Backbone interact. energy: -0.518
local terms energy: -656.476861
where:
bonds (distance) C4'-P energy: -141.806
bonds (distance) P-C4' energy: -125.060
flat angles C4'-P-C4' energy: -158.532
flat angles P-C4'-P energy: -95.467
tors. eta vs tors. theta energy: -135.612
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2042.241007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.241007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.166002 (E_RNA)
where:
Base-Base interactions energy: -1386.237
where: short stacking energy: -586.680
Base-Backbone interact. energy: -0.702
local terms energy: -658.226554
where:
bonds (distance) C4'-P energy: -114.049
bonds (distance) P-C4' energy: -132.109
flat angles C4'-P-C4' energy: -154.748
flat angles P-C4'-P energy: -96.960
tors. eta vs tors. theta energy: -160.361
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: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1925.942104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.942104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.962191 (E_RNA)
where:
Base-Base interactions energy: -1297.789
where: short stacking energy: -538.137
Base-Backbone interact. energy: 5.118
local terms energy: -635.291344
where:
bonds (distance) C4'-P energy: -133.827
bonds (distance) P-C4' energy: -130.339
flat angles C4'-P-C4' energy: -148.070
flat angles P-C4'-P energy: -78.404
tors. eta vs tors. theta energy: -144.651
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: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1914.318387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.318387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.294066 (E_RNA)
where:
Base-Base interactions energy: -1256.779
where: short stacking energy: -539.787
Base-Backbone interact. energy: -2.554
local terms energy: -657.960556
where:
bonds (distance) C4'-P energy: -148.834
bonds (distance) P-C4' energy: -109.930
flat angles C4'-P-C4' energy: -152.676
flat angles P-C4'-P energy: -98.522
tors. eta vs tors. theta energy: -147.999
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2820.743302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.743302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.691914 (E_RNA)
where:
Base-Base interactions energy: -1971.489
where: short stacking energy: -788.759
Base-Backbone interact. energy: -3.120
local terms energy: -849.082364
where:
bonds (distance) C4'-P energy: -156.672
bonds (distance) P-C4' energy: -156.899
flat angles C4'-P-C4' energy: -190.187
flat angles P-C4'-P energy: -111.361
tors. eta vs tors. theta energy: -233.964
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2751.714430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.714430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.773030 (E_RNA)
where:
Base-Base interactions energy: -1907.800
where: short stacking energy: -812.472
Base-Backbone interact. energy: -0.276
local terms energy: -845.697011
where:
bonds (distance) C4'-P energy: -161.746
bonds (distance) P-C4' energy: -144.747
flat angles C4'-P-C4' energy: -176.384
flat angles P-C4'-P energy: -117.469
tors. eta vs tors. theta energy: -245.352
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2688.731888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.731888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.903528 (E_RNA)
where:
Base-Base interactions energy: -1852.633
where: short stacking energy: -835.197
Base-Backbone interact. energy: 0.376
local terms energy: -838.646831
where:
bonds (distance) C4'-P energy: -148.273
bonds (distance) P-C4' energy: -148.850
flat angles C4'-P-C4' energy: -184.665
flat angles P-C4'-P energy: -116.643
tors. eta vs tors. theta energy: -240.217
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: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2475.184296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.184296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.144283 (E_RNA)
where:
Base-Base interactions energy: -1723.962
where: short stacking energy: -725.118
Base-Backbone interact. energy: -2.194
local terms energy: -750.988185
where:
bonds (distance) C4'-P energy: -138.702
bonds (distance) P-C4' energy: -128.879
flat angles C4'-P-C4' energy: -178.571
flat angles P-C4'-P energy: -91.715
tors. eta vs tors. theta energy: -213.121
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: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2346.120633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.120633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.483872 (E_RNA)
where:
Base-Base interactions energy: -1592.725
where: short stacking energy: -712.776
Base-Backbone interact. energy: 3.681
local terms energy: -759.439835
where:
bonds (distance) C4'-P energy: -141.787
bonds (distance) P-C4' energy: -139.018
flat angles C4'-P-C4' energy: -155.901
flat angles P-C4'-P energy: -113.702
tors. eta vs tors. theta energy: -209.031
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: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2199.829890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.829890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.491578 (E_RNA)
where:
Base-Base interactions energy: -1453.079
where: short stacking energy: -612.617
Base-Backbone interact. energy: -2.172
local terms energy: -748.240904
where:
bonds (distance) C4'-P energy: -152.797
bonds (distance) P-C4' energy: -152.527
flat angles C4'-P-C4' energy: -155.214
flat angles P-C4'-P energy: -106.892
tors. eta vs tors. theta energy: -180.810
Dist. restrs. and SS energy: 3.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2043.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.712796 (E_RNA)
where:
Base-Base interactions energy: -1404.262
where: short stacking energy: -615.649
Base-Backbone interact. energy: 0.984
local terms energy: -643.434968
where:
bonds (distance) C4'-P energy: -129.551
bonds (distance) P-C4' energy: -126.830
flat angles C4'-P-C4' energy: -147.310
flat angles P-C4'-P energy: -92.189
tors. eta vs tors. theta energy: -147.556
Dist. restrs. and SS energy: 3.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2048.597654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.597654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.313497 (E_RNA)
where:
Base-Base interactions energy: -1392.850
where: short stacking energy: -615.944
Base-Backbone interact. energy: 3.973
local terms energy: -663.437043
where:
bonds (distance) C4'-P energy: -137.814
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -146.049
flat angles P-C4'-P energy: -99.454
tors. eta vs tors. theta energy: -161.671
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: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1928.417566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.417566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.465755 (E_RNA)
where:
Base-Base interactions energy: -1353.557
where: short stacking energy: -539.336
Base-Backbone interact. energy: -3.492
local terms energy: -574.416857
where:
bonds (distance) C4'-P energy: -99.057
bonds (distance) P-C4' energy: -141.225
flat angles C4'-P-C4' energy: -139.822
flat angles P-C4'-P energy: -79.475
tors. eta vs tors. theta energy: -114.837
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: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1918.032969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.032969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.079176 (E_RNA)
where:
Base-Base interactions energy: -1297.827
where: short stacking energy: -544.866
Base-Backbone interact. energy: 2.881
local terms energy: -627.132693
where:
bonds (distance) C4'-P energy: -119.032
bonds (distance) P-C4' energy: -140.145
flat angles C4'-P-C4' energy: -146.922
flat angles P-C4'-P energy: -84.473
tors. eta vs tors. theta energy: -136.561
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: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2836.327149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.327149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.078777 (E_RNA)
where:
Base-Base interactions energy: -1947.749
where: short stacking energy: -841.713
Base-Backbone interact. energy: 2.549
local terms energy: -892.879439
where:
bonds (distance) C4'-P energy: -158.735
bonds (distance) P-C4' energy: -163.717
flat angles C4'-P-C4' energy: -186.403
flat angles P-C4'-P energy: -138.517
tors. eta vs tors. theta energy: -245.508
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: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2758.344431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.344431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.829844 (E_RNA)
where:
Base-Base interactions energy: -1906.571
where: short stacking energy: -796.450
Base-Backbone interact. energy: -3.847
local terms energy: -852.411211
where:
bonds (distance) C4'-P energy: -153.779
bonds (distance) P-C4' energy: -165.436
flat angles C4'-P-C4' energy: -183.796
flat angles P-C4'-P energy: -121.377
tors. eta vs tors. theta energy: -228.024
Dist. restrs. and SS energy: 4.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2678.453008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.453008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.903135 (E_RNA)
where:
Base-Base interactions energy: -1838.468
where: short stacking energy: -824.588
Base-Backbone interact. energy: -1.881
local terms energy: -839.554327
where:
bonds (distance) C4'-P energy: -151.425
bonds (distance) P-C4' energy: -139.502
flat angles C4'-P-C4' energy: -183.128
flat angles P-C4'-P energy: -120.809
tors. eta vs tors. theta energy: -244.690
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2512.477056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.477056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.261529 (E_RNA)
where:
Base-Base interactions energy: -1714.484
where: short stacking energy: -723.740
Base-Backbone interact. energy: -3.776
local terms energy: -796.001291
where:
bonds (distance) C4'-P energy: -148.184
bonds (distance) P-C4' energy: -144.791
flat angles C4'-P-C4' energy: -184.227
flat angles P-C4'-P energy: -113.961
tors. eta vs tors. theta energy: -204.837
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2347.784477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.784477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.540649 (E_RNA)
where:
Base-Base interactions energy: -1599.559
where: short stacking energy: -710.897
Base-Backbone interact. energy: -0.803
local terms energy: -749.178280
where:
bonds (distance) C4'-P energy: -142.325
bonds (distance) P-C4' energy: -138.999
flat angles C4'-P-C4' energy: -169.879
flat angles P-C4'-P energy: -100.905
tors. eta vs tors. theta energy: -197.070
Dist. restrs. and SS energy: 1.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2192.982457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.982457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.164960 (E_RNA)
where:
Base-Base interactions energy: -1486.499
where: short stacking energy: -649.777
Base-Backbone interact. energy: -3.172
local terms energy: -705.493742
where:
bonds (distance) C4'-P energy: -130.854
bonds (distance) P-C4' energy: -129.526
flat angles C4'-P-C4' energy: -157.769
flat angles P-C4'-P energy: -112.446
tors. eta vs tors. theta energy: -174.898
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2054.457271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.457271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.704900 (E_RNA)
where:
Base-Base interactions energy: -1386.916
where: short stacking energy: -577.655
Base-Backbone interact. energy: -3.892
local terms energy: -665.897205
where:
bonds (distance) C4'-P energy: -126.987
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -155.698
flat angles P-C4'-P energy: -88.742
tors. eta vs tors. theta energy: -157.643
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2028.677837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.677837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.376014 (E_RNA)
where:
Base-Base interactions energy: -1349.658
where: short stacking energy: -596.918
Base-Backbone interact. energy: -1.609
local terms energy: -680.108401
where:
bonds (distance) C4'-P energy: -126.360
bonds (distance) P-C4' energy: -136.954
flat angles C4'-P-C4' energy: -154.081
flat angles P-C4'-P energy: -102.090
tors. eta vs tors. theta energy: -160.623
Dist. restrs. and SS energy: 2.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1981.109856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.109856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.008871 (E_RNA)
where:
Base-Base interactions energy: -1357.795
where: short stacking energy: -584.406
Base-Backbone interact. energy: -1.704
local terms energy: -623.509887
where:
bonds (distance) C4'-P energy: -102.770
bonds (distance) P-C4' energy: -135.613
flat angles C4'-P-C4' energy: -132.913
flat angles P-C4'-P energy: -101.524
tors. eta vs tors. theta energy: -150.691
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: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1909.757984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.757984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.473855 (E_RNA)
where:
Base-Base interactions energy: -1287.269
where: short stacking energy: -539.100
Base-Backbone interact. energy: 1.234
local terms energy: -627.438102
where:
bonds (distance) C4'-P energy: -132.014
bonds (distance) P-C4' energy: -137.130
flat angles C4'-P-C4' energy: -124.719
flat angles P-C4'-P energy: -97.792
tors. eta vs tors. theta energy: -135.782
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: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2828.709132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.709132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.987031 (E_RNA)
where:
Base-Base interactions energy: -1951.615
where: short stacking energy: -794.932
Base-Backbone interact. energy: -1.708
local terms energy: -877.664006
where:
bonds (distance) C4'-P energy: -158.359
bonds (distance) P-C4' energy: -169.514
flat angles C4'-P-C4' energy: -178.547
flat angles P-C4'-P energy: -121.065
tors. eta vs tors. theta energy: -250.180
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: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2758.115168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.115168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.171879 (E_RNA)
where:
Base-Base interactions energy: -1907.207
where: short stacking energy: -801.397
Base-Backbone interact. energy: -4.155
local terms energy: -848.810273
where:
bonds (distance) C4'-P energy: -164.257
bonds (distance) P-C4' energy: -147.847
flat angles C4'-P-C4' energy: -187.479
flat angles P-C4'-P energy: -116.849
tors. eta vs tors. theta energy: -232.378
Dist. restrs. and SS energy: 2.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2668.671519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.671519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.128965 (E_RNA)
where:
Base-Base interactions energy: -1850.787
where: short stacking energy: -783.945
Base-Backbone interact. energy: 7.444
local terms energy: -827.785912
where:
bonds (distance) C4'-P energy: -147.127
bonds (distance) P-C4' energy: -163.579
flat angles C4'-P-C4' energy: -172.199
flat angles P-C4'-P energy: -128.365
tors. eta vs tors. theta energy: -216.515
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: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2463.766765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.766765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.801789 (E_RNA)
where:
Base-Base interactions energy: -1684.919
where: short stacking energy: -726.247
Base-Backbone interact. energy: -1.720
local terms energy: -779.161997
where:
bonds (distance) C4'-P energy: -138.216
bonds (distance) P-C4' energy: -144.807
flat angles C4'-P-C4' energy: -184.786
flat angles P-C4'-P energy: -102.898
tors. eta vs tors. theta energy: -208.454
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: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2289.687686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.687686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.593917 (E_RNA)
where:
Base-Base interactions energy: -1547.640
where: short stacking energy: -676.650
Base-Backbone interact. energy: 4.023
local terms energy: -747.977675
where:
bonds (distance) C4'-P energy: -129.061
bonds (distance) P-C4' energy: -147.401
flat angles C4'-P-C4' energy: -172.692
flat angles P-C4'-P energy: -104.940
tors. eta vs tors. theta energy: -193.884
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2150.449871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.449871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.682514 (E_RNA)
where:
Base-Base interactions energy: -1453.938
where: short stacking energy: -648.972
Base-Backbone interact. energy: -4.461
local terms energy: -694.284025
where:
bonds (distance) C4'-P energy: -127.460
bonds (distance) P-C4' energy: -144.496
flat angles C4'-P-C4' energy: -144.936
flat angles P-C4'-P energy: -96.891
tors. eta vs tors. theta energy: -180.501
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2071.204549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.204549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.128627 (E_RNA)
where:
Base-Base interactions energy: -1400.551
where: short stacking energy: -605.836
Base-Backbone interact. energy: -0.093
local terms energy: -672.484389
where:
bonds (distance) C4'-P energy: -122.418
bonds (distance) P-C4' energy: -143.806
flat angles C4'-P-C4' energy: -142.837
flat angles P-C4'-P energy: -97.644
tors. eta vs tors. theta energy: -165.779
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: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2010.392099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.392099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.774105 (E_RNA)
where:
Base-Base interactions energy: -1363.103
where: short stacking energy: -586.584
Base-Backbone interact. energy: -0.689
local terms energy: -649.982587
where:
bonds (distance) C4'-P energy: -133.523
bonds (distance) P-C4' energy: -132.273
flat angles C4'-P-C4' energy: -141.786
flat angles P-C4'-P energy: -85.767
tors. eta vs tors. theta energy: -156.633
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: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1966.951757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.951757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.007072 (E_RNA)
where:
Base-Base interactions energy: -1332.678
where: short stacking energy: -582.243
Base-Backbone interact. energy: -4.744
local terms energy: -632.584537
where:
bonds (distance) C4'-P energy: -125.976
bonds (distance) P-C4' energy: -120.212
flat angles C4'-P-C4' energy: -147.489
flat angles P-C4'-P energy: -92.795
tors. eta vs tors. theta energy: -146.112
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1850.734511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.734511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.584457 (E_RNA)
where:
Base-Base interactions energy: -1272.832
where: short stacking energy: -551.726
Base-Backbone interact. energy: 6.535
local terms energy: -586.287002
where:
bonds (distance) C4'-P energy: -119.326
bonds (distance) P-C4' energy: -98.179
flat angles C4'-P-C4' energy: -139.604
flat angles P-C4'-P energy: -87.200
tors. eta vs tors. theta energy: -141.978
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: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2822.593047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.593047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.267565 (E_RNA)
where:
Base-Base interactions energy: -1971.050
where: short stacking energy: -808.535
Base-Backbone interact. energy: -0.438
local terms energy: -853.779972
where:
bonds (distance) C4'-P energy: -150.318
bonds (distance) P-C4' energy: -150.375
flat angles C4'-P-C4' energy: -191.439
flat angles P-C4'-P energy: -123.049
tors. eta vs tors. theta energy: -238.600
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2723.603875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.603875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.348522 (E_RNA)
where:
Base-Base interactions energy: -1867.855
where: short stacking energy: -778.174
Base-Backbone interact. energy: -4.245
local terms energy: -852.248202
where:
bonds (distance) C4'-P energy: -167.569
bonds (distance) P-C4' energy: -168.662
flat angles C4'-P-C4' energy: -170.322
flat angles P-C4'-P energy: -114.421
tors. eta vs tors. theta energy: -231.274
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2649.858897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.858897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.380631 (E_RNA)
where:
Base-Base interactions energy: -1809.269
where: short stacking energy: -772.509
Base-Backbone interact. energy: -0.570
local terms energy: -842.541581
where:
bonds (distance) C4'-P energy: -159.896
bonds (distance) P-C4' energy: -150.347
flat angles C4'-P-C4' energy: -182.365
flat angles P-C4'-P energy: -121.904
tors. eta vs tors. theta energy: -228.029
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: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2508.070690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.070690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.000800 (E_RNA)
where:
Base-Base interactions energy: -1718.136
where: short stacking energy: -734.101
Base-Backbone interact. energy: -3.261
local terms energy: -789.603958
where:
bonds (distance) C4'-P energy: -131.395
bonds (distance) P-C4' energy: -159.497
flat angles C4'-P-C4' energy: -171.115
flat angles P-C4'-P energy: -110.176
tors. eta vs tors. theta energy: -217.421
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2284.764940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.764940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.278628 (E_RNA)
where:
Base-Base interactions energy: -1532.952
where: short stacking energy: -685.983
Base-Backbone interact. energy: 4.451
local terms energy: -757.777173
where:
bonds (distance) C4'-P energy: -142.273
bonds (distance) P-C4' energy: -159.793
flat angles C4'-P-C4' energy: -160.496
flat angles P-C4'-P energy: -108.074
tors. eta vs tors. theta energy: -187.141
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2184.402825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.402825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.642167 (E_RNA)
where:
Base-Base interactions energy: -1513.437
where: short stacking energy: -632.535
Base-Backbone interact. energy: 3.999
local terms energy: -679.203895
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -136.265
flat angles C4'-P-C4' energy: -158.502
flat angles P-C4'-P energy: -89.389
tors. eta vs tors. theta energy: -169.886
Dist. restrs. and SS energy: 4.239 (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: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2097.692115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.692115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.150215 (E_RNA)
where:
Base-Base interactions energy: -1383.518
where: short stacking energy: -598.156
Base-Backbone interact. energy: -0.031
local terms energy: -716.601305
where:
bonds (distance) C4'-P energy: -150.270
bonds (distance) P-C4' energy: -148.015
flat angles C4'-P-C4' energy: -145.110
flat angles P-C4'-P energy: -105.932
tors. eta vs tors. theta energy: -167.274
Dist. restrs. and SS energy: 2.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1982.696565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.696565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.484807 (E_RNA)
where:
Base-Base interactions energy: -1334.675
where: short stacking energy: -572.937
Base-Backbone interact. energy: 0.724
local terms energy: -651.533736
where:
bonds (distance) C4'-P energy: -119.666
bonds (distance) P-C4' energy: -137.473
flat angles C4'-P-C4' energy: -167.920
flat angles P-C4'-P energy: -86.463
tors. eta vs tors. theta energy: -140.012
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1965.839916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.839916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.703367 (E_RNA)
where:
Base-Base interactions energy: -1334.237
where: short stacking energy: -559.752
Base-Backbone interact. energy: -0.082
local terms energy: -634.384843
where:
bonds (distance) C4'-P energy: -122.746
bonds (distance) P-C4' energy: -116.350
flat angles C4'-P-C4' energy: -145.230
flat angles P-C4'-P energy: -104.812
tors. eta vs tors. theta energy: -145.247
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: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1863.801832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.801832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.111479 (E_RNA)
where:
Base-Base interactions energy: -1260.947
where: short stacking energy: -506.770
Base-Backbone interact. energy: 0.413
local terms energy: -606.576930
where:
bonds (distance) C4'-P energy: -144.759
bonds (distance) P-C4' energy: -126.250
flat angles C4'-P-C4' energy: -142.586
flat angles P-C4'-P energy: -61.671
tors. eta vs tors. theta energy: -131.311
Dist. restrs. and SS energy: 3.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2792.684822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.684822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.784244 (E_RNA)
where:
Base-Base interactions energy: -1913.203
where: short stacking energy: -805.493
Base-Backbone interact. energy: 0.773
local terms energy: -882.354192
where:
bonds (distance) C4'-P energy: -161.740
bonds (distance) P-C4' energy: -170.877
flat angles C4'-P-C4' energy: -187.468
flat angles P-C4'-P energy: -124.871
tors. eta vs tors. theta energy: -237.398
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2754.554131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.554131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.425592 (E_RNA)
where:
Base-Base interactions energy: -1923.877
where: short stacking energy: -769.383
Base-Backbone interact. energy: -5.282
local terms energy: -826.266451
where:
bonds (distance) C4'-P energy: -155.673
bonds (distance) P-C4' energy: -146.377
flat angles C4'-P-C4' energy: -184.159
flat angles P-C4'-P energy: -108.105
tors. eta vs tors. theta energy: -231.952
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2640.549062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.549062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.048363 (E_RNA)
where:
Base-Base interactions energy: -1798.723
where: short stacking energy: -792.316
Base-Backbone interact. energy: 5.602
local terms energy: -849.927357
where:
bonds (distance) C4'-P energy: -162.907
bonds (distance) P-C4' energy: -161.947
flat angles C4'-P-C4' energy: -162.530
flat angles P-C4'-P energy: -115.943
tors. eta vs tors. theta energy: -246.601
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: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2491.064671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.064671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.771939 (E_RNA)
where:
Base-Base interactions energy: -1705.109
where: short stacking energy: -750.800
Base-Backbone interact. energy: 1.864
local terms energy: -789.527116
where:
bonds (distance) C4'-P energy: -142.919
bonds (distance) P-C4' energy: -157.534
flat angles C4'-P-C4' energy: -177.247
flat angles P-C4'-P energy: -107.868
tors. eta vs tors. theta energy: -203.959
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2229.052015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.052015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.515285 (E_RNA)
where:
Base-Base interactions energy: -1501.354
where: short stacking energy: -648.409
Base-Backbone interact. energy: 0.022
local terms energy: -729.183331
where:
bonds (distance) C4'-P energy: -141.676
bonds (distance) P-C4' energy: -147.202
flat angles C4'-P-C4' energy: -152.703
flat angles P-C4'-P energy: -110.179
tors. eta vs tors. theta energy: -177.424
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: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2183.666781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.666781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.219258 (E_RNA)
where:
Base-Base interactions energy: -1482.810
where: short stacking energy: -653.479
Base-Backbone interact. energy: 6.058
local terms energy: -709.466456
where:
bonds (distance) C4'-P energy: -125.677
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -148.772
flat angles P-C4'-P energy: -109.260
tors. eta vs tors. theta energy: -182.609
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2093.663413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.663413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.432961 (E_RNA)
where:
Base-Base interactions energy: -1402.755
where: short stacking energy: -597.030
Base-Backbone interact. energy: 0.016
local terms energy: -692.694380
where:
bonds (distance) C4'-P energy: -130.039
bonds (distance) P-C4' energy: -152.583
flat angles C4'-P-C4' energy: -150.912
flat angles P-C4'-P energy: -101.756
tors. eta vs tors. theta energy: -157.405
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: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1948.396875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.396875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.526415 (E_RNA)
where:
Base-Base interactions energy: -1342.044
where: short stacking energy: -560.584
Base-Backbone interact. energy: 1.294
local terms energy: -609.776533
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -141.648
flat angles C4'-P-C4' energy: -132.238
flat angles P-C4'-P energy: -94.521
tors. eta vs tors. theta energy: -131.825
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: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1972.630650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.630650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.625010 (E_RNA)
where:
Base-Base interactions energy: -1348.922
where: short stacking energy: -581.266
Base-Backbone interact. energy: 1.496
local terms energy: -628.198722
where:
bonds (distance) C4'-P energy: -120.294
bonds (distance) P-C4' energy: -117.002
flat angles C4'-P-C4' energy: -161.600
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -148.722
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: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1828.385840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.385840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.937528 (E_RNA)
where:
Base-Base interactions energy: -1230.477
where: short stacking energy: -508.057
Base-Backbone interact. energy: 3.851
local terms energy: -603.311367
where:
bonds (distance) C4'-P energy: -127.705
bonds (distance) P-C4' energy: -138.361
flat angles C4'-P-C4' energy: -123.627
flat angles P-C4'-P energy: -92.777
tors. eta vs tors. theta energy: -120.841
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: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2803.222109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.222109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.903037 (E_RNA)
where:
Base-Base interactions energy: -1921.184
where: short stacking energy: -804.954
Base-Backbone interact. energy: -0.943
local terms energy: -884.776497
where:
bonds (distance) C4'-P energy: -163.950
bonds (distance) P-C4' energy: -164.938
flat angles C4'-P-C4' energy: -190.427
flat angles P-C4'-P energy: -126.932
tors. eta vs tors. theta energy: -238.529
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2745.126292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.126292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.567017 (E_RNA)
where:
Base-Base interactions energy: -1895.435
where: short stacking energy: -790.104
Base-Backbone interact. energy: 1.957
local terms energy: -854.088838
where:
bonds (distance) C4'-P energy: -170.188
bonds (distance) P-C4' energy: -157.179
flat angles C4'-P-C4' energy: -179.199
flat angles P-C4'-P energy: -123.657
tors. eta vs tors. theta energy: -223.865
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: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2648.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.278901 (E_RNA)
where:
Base-Base interactions energy: -1826.183
where: short stacking energy: -797.745
Base-Backbone interact. energy: -2.474
local terms energy: -822.622000
where:
bonds (distance) C4'-P energy: -147.204
bonds (distance) P-C4' energy: -161.551
flat angles C4'-P-C4' energy: -184.246
flat angles P-C4'-P energy: -103.797
tors. eta vs tors. theta energy: -225.824
Dist. restrs. and SS energy: 3.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2466.253597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.253597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.006434 (E_RNA)
where:
Base-Base interactions energy: -1700.779
where: short stacking energy: -708.874
Base-Backbone interact. energy: -0.384
local terms energy: -767.842837
where:
bonds (distance) C4'-P energy: -149.077
bonds (distance) P-C4' energy: -144.087
flat angles C4'-P-C4' energy: -168.359
flat angles P-C4'-P energy: -111.201
tors. eta vs tors. theta energy: -195.119
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: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2261.201938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.201938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.735462 (E_RNA)
where:
Base-Base interactions energy: -1503.906
where: short stacking energy: -644.277
Base-Backbone interact. energy: -0.288
local terms energy: -759.540850
where:
bonds (distance) C4'-P energy: -147.546
bonds (distance) P-C4' energy: -155.118
flat angles C4'-P-C4' energy: -152.710
flat angles P-C4'-P energy: -112.324
tors. eta vs tors. theta energy: -191.843
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2151.208400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.208400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.517468 (E_RNA)
where:
Base-Base interactions energy: -1463.403
where: short stacking energy: -647.454
Base-Backbone interact. energy: 3.659
local terms energy: -693.773673
where:
bonds (distance) C4'-P energy: -117.712
bonds (distance) P-C4' energy: -139.975
flat angles C4'-P-C4' energy: -154.866
flat angles P-C4'-P energy: -113.567
tors. eta vs tors. theta energy: -167.653
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: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2088.476319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.476319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.762224 (E_RNA)
where:
Base-Base interactions energy: -1453.165
where: short stacking energy: -602.389
Base-Backbone interact. energy: -2.095
local terms energy: -635.502361
where:
bonds (distance) C4'-P energy: -139.399
bonds (distance) P-C4' energy: -128.869
flat angles C4'-P-C4' energy: -136.943
flat angles P-C4'-P energy: -68.585
tors. eta vs tors. theta energy: -161.707
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2024.752481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.752481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.851954 (E_RNA)
where:
Base-Base interactions energy: -1351.710
where: short stacking energy: -590.810
Base-Backbone interact. energy: 0.571
local terms energy: -675.712956
where:
bonds (distance) C4'-P energy: -142.608
bonds (distance) P-C4' energy: -140.481
flat angles C4'-P-C4' energy: -137.788
flat angles P-C4'-P energy: -102.420
tors. eta vs tors. theta energy: -152.416
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1977.326986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.326986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.473327 (E_RNA)
where:
Base-Base interactions energy: -1374.364
where: short stacking energy: -569.686
Base-Backbone interact. energy: 2.822
local terms energy: -607.930923
where:
bonds (distance) C4'-P energy: -121.567
bonds (distance) P-C4' energy: -136.359
flat angles C4'-P-C4' energy: -123.597
flat angles P-C4'-P energy: -90.296
tors. eta vs tors. theta energy: -136.113
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: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1889.091349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.091349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.292570 (E_RNA)
where:
Base-Base interactions energy: -1273.501
where: short stacking energy: -544.923
Base-Backbone interact. energy: -1.566
local terms energy: -619.226034
where:
bonds (distance) C4'-P energy: -115.462
bonds (distance) P-C4' energy: -142.226
flat angles C4'-P-C4' energy: -154.487
flat angles P-C4'-P energy: -80.145
tors. eta vs tors. theta energy: -126.905
Dist. restrs. and SS energy: 5.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2823.912423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.912423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.931388 (E_RNA)
where:
Base-Base interactions energy: -1922.757
where: short stacking energy: -814.773
Base-Backbone interact. energy: -1.455
local terms energy: -901.719068
where:
bonds (distance) C4'-P energy: -158.049
bonds (distance) P-C4' energy: -180.000
flat angles C4'-P-C4' energy: -189.238
flat angles P-C4'-P energy: -130.785
tors. eta vs tors. theta energy: -243.647
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: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2727.677446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.677446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.147822 (E_RNA)
where:
Base-Base interactions energy: -1877.817
where: short stacking energy: -836.603
Base-Backbone interact. energy: -5.869
local terms energy: -845.461263
where:
bonds (distance) C4'-P energy: -141.620
bonds (distance) P-C4' energy: -159.916
flat angles C4'-P-C4' energy: -178.640
flat angles P-C4'-P energy: -132.059
tors. eta vs tors. theta energy: -233.226
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2645.862197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.862197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.916754 (E_RNA)
where:
Base-Base interactions energy: -1811.435
where: short stacking energy: -777.833
Base-Backbone interact. energy: 0.205
local terms energy: -836.686487
where:
bonds (distance) C4'-P energy: -132.608
bonds (distance) P-C4' energy: -162.294
flat angles C4'-P-C4' energy: -188.299
flat angles P-C4'-P energy: -115.605
tors. eta vs tors. theta energy: -237.881
Dist. restrs. and SS energy: 2.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2487.624954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.624954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.436442 (E_RNA)
where:
Base-Base interactions energy: -1727.937
where: short stacking energy: -730.585
Base-Backbone interact. energy: 2.231
local terms energy: -763.729945
where:
bonds (distance) C4'-P energy: -144.158
bonds (distance) P-C4' energy: -150.951
flat angles C4'-P-C4' energy: -167.837
flat angles P-C4'-P energy: -91.620
tors. eta vs tors. theta energy: -209.164
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: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2279.214137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.214137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.699748 (E_RNA)
where:
Base-Base interactions energy: -1519.215
where: short stacking energy: -670.058
Base-Backbone interact. energy: -0.092
local terms energy: -761.392871
where:
bonds (distance) C4'-P energy: -160.907
bonds (distance) P-C4' energy: -137.170
flat angles C4'-P-C4' energy: -175.166
flat angles P-C4'-P energy: -97.267
tors. eta vs tors. theta energy: -190.883
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2159.669381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.669381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.458840 (E_RNA)
where:
Base-Base interactions energy: -1458.593
where: short stacking energy: -639.411
Base-Backbone interact. energy: -1.787
local terms energy: -702.078625
where:
bonds (distance) C4'-P energy: -137.679
bonds (distance) P-C4' energy: -164.192
flat angles C4'-P-C4' energy: -149.867
flat angles P-C4'-P energy: -83.309
tors. eta vs tors. theta energy: -167.032
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2092.395428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.395428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.629133 (E_RNA)
where:
Base-Base interactions energy: -1394.561
where: short stacking energy: -594.632
Base-Backbone interact. energy: 0.472
local terms energy: -700.540572
where:
bonds (distance) C4'-P energy: -153.295
bonds (distance) P-C4' energy: -134.069
flat angles C4'-P-C4' energy: -147.161
flat angles P-C4'-P energy: -116.161
tors. eta vs tors. theta energy: -149.854
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2027.831584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.831584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.863938 (E_RNA)
where:
Base-Base interactions energy: -1359.999
where: short stacking energy: -590.829
Base-Backbone interact. energy: -1.214
local terms energy: -670.650526
where:
bonds (distance) C4'-P energy: -132.396
bonds (distance) P-C4' energy: -138.398
flat angles C4'-P-C4' energy: -152.270
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -159.072
Dist. restrs. and SS energy: 4.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1902.027565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.027565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.345081 (E_RNA)
where:
Base-Base interactions energy: -1277.108
where: short stacking energy: -567.704
Base-Backbone interact. energy: 2.095
local terms energy: -630.332495
where:
bonds (distance) C4'-P energy: -112.070
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -147.219
flat angles P-C4'-P energy: -92.475
tors. eta vs tors. theta energy: -150.159
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1854.119685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.119685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.307148 (E_RNA)
where:
Base-Base interactions energy: -1247.043
where: short stacking energy: -506.715
Base-Backbone interact. energy: -2.560
local terms energy: -607.704476
where:
bonds (distance) C4'-P energy: -124.254
bonds (distance) P-C4' energy: -114.733
flat angles C4'-P-C4' energy: -143.543
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -132.063
Dist. restrs. and SS energy: 3.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2810.108138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.108138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.921424 (E_RNA)
where:
Base-Base interactions energy: -1946.522
where: short stacking energy: -828.179
Base-Backbone interact. energy: -3.591
local terms energy: -862.808802
where:
bonds (distance) C4'-P energy: -165.377
bonds (distance) P-C4' energy: -160.713
flat angles C4'-P-C4' energy: -172.143
flat angles P-C4'-P energy: -122.586
tors. eta vs tors. theta energy: -241.990
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2718.122951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.122951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.578091 (E_RNA)
where:
Base-Base interactions energy: -1851.731
where: short stacking energy: -807.551
Base-Backbone interact. energy: -4.739
local terms energy: -863.108317
where:
bonds (distance) C4'-P energy: -157.647
bonds (distance) P-C4' energy: -163.934
flat angles C4'-P-C4' energy: -178.116
flat angles P-C4'-P energy: -129.842
tors. eta vs tors. theta energy: -233.568
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2643.404971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.404971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.584036 (E_RNA)
where:
Base-Base interactions energy: -1839.224
where: short stacking energy: -797.992
Base-Backbone interact. energy: -0.078
local terms energy: -805.281897
where:
bonds (distance) C4'-P energy: -144.684
bonds (distance) P-C4' energy: -151.424
flat angles C4'-P-C4' energy: -177.647
flat angles P-C4'-P energy: -109.515
tors. eta vs tors. theta energy: -222.012
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: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2491.923814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.923814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.994257 (E_RNA)
where:
Base-Base interactions energy: -1690.888
where: short stacking energy: -754.616
Base-Backbone interact. energy: -3.172
local terms energy: -799.934389
where:
bonds (distance) C4'-P energy: -153.869
bonds (distance) P-C4' energy: -138.949
flat angles C4'-P-C4' energy: -182.381
flat angles P-C4'-P energy: -103.376
tors. eta vs tors. theta energy: -221.360
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: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2285.853514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.853514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.455774 (E_RNA)
where:
Base-Base interactions energy: -1532.274
where: short stacking energy: -666.574
Base-Backbone interact. energy: -1.194
local terms energy: -754.987597
where:
bonds (distance) C4'-P energy: -153.375
bonds (distance) P-C4' energy: -147.146
flat angles C4'-P-C4' energy: -163.057
flat angles P-C4'-P energy: -115.339
tors. eta vs tors. theta energy: -176.071
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: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2176.549550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.549550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.518248 (E_RNA)
where:
Base-Base interactions energy: -1479.581
where: short stacking energy: -619.142
Base-Backbone interact. energy: -0.054
local terms energy: -698.883405
where:
bonds (distance) C4'-P energy: -130.815
bonds (distance) P-C4' energy: -145.757
flat angles C4'-P-C4' energy: -152.328
flat angles P-C4'-P energy: -96.712
tors. eta vs tors. theta energy: -173.271
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: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2114.747753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.747753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.420761 (E_RNA)
where:
Base-Base interactions energy: -1443.470
where: short stacking energy: -619.324
Base-Backbone interact. energy: 8.990
local terms energy: -682.940838
where:
bonds (distance) C4'-P energy: -129.339
bonds (distance) P-C4' energy: -131.021
flat angles C4'-P-C4' energy: -147.596
flat angles P-C4'-P energy: -108.447
tors. eta vs tors. theta energy: -166.537
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: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1993.514825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.514825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.480657 (E_RNA)
where:
Base-Base interactions energy: -1364.827
where: short stacking energy: -559.945
Base-Backbone interact. energy: -3.041
local terms energy: -627.612707
where:
bonds (distance) C4'-P energy: -135.305
bonds (distance) P-C4' energy: -132.988
flat angles C4'-P-C4' energy: -137.362
flat angles P-C4'-P energy: -77.090
tors. eta vs tors. theta energy: -144.868
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1900.287080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.287080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.771882 (E_RNA)
where:
Base-Base interactions energy: -1321.177
where: short stacking energy: -535.685
Base-Backbone interact. energy: 5.507
local terms energy: -587.102302
where:
bonds (distance) C4'-P energy: -130.268
bonds (distance) P-C4' energy: -126.641
flat angles C4'-P-C4' energy: -110.210
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -139.034
Dist. restrs. and SS energy: 2.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1835.195487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.195487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.387007 (E_RNA)
where:
Base-Base interactions energy: -1264.442
where: short stacking energy: -534.867
Base-Backbone interact. energy: -2.333
local terms energy: -571.612188
where:
bonds (distance) C4'-P energy: -113.009
bonds (distance) P-C4' energy: -117.103
flat angles C4'-P-C4' energy: -124.230
flat angles P-C4'-P energy: -73.978
tors. eta vs tors. theta energy: -143.293
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2822.993538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.993538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.261023 (E_RNA)
where:
Base-Base interactions energy: -1943.831
where: short stacking energy: -834.150
Base-Backbone interact. energy: -1.313
local terms energy: -882.117730
where:
bonds (distance) C4'-P energy: -161.496
bonds (distance) P-C4' energy: -168.393
flat angles C4'-P-C4' energy: -179.394
flat angles P-C4'-P energy: -117.714
tors. eta vs tors. theta energy: -255.121
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: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2702.367723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.367723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.020905 (E_RNA)
where:
Base-Base interactions energy: -1837.807
where: short stacking energy: -757.046
Base-Backbone interact. energy: -1.097
local terms energy: -865.116952
where:
bonds (distance) C4'-P energy: -177.692
bonds (distance) P-C4' energy: -164.929
flat angles C4'-P-C4' energy: -182.489
flat angles P-C4'-P energy: -117.758
tors. eta vs tors. theta energy: -222.248
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: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2668.889125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.889125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.841370 (E_RNA)
where:
Base-Base interactions energy: -1854.139
where: short stacking energy: -780.386
Base-Backbone interact. energy: 4.092
local terms energy: -820.794054
where:
bonds (distance) C4'-P energy: -130.215
bonds (distance) P-C4' energy: -166.935
flat angles C4'-P-C4' energy: -190.030
flat angles P-C4'-P energy: -103.403
tors. eta vs tors. theta energy: -230.211
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: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2524.039162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.039162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.189970 (E_RNA)
where:
Base-Base interactions energy: -1725.046
where: short stacking energy: -729.823
Base-Backbone interact. energy: -0.931
local terms energy: -799.212466
where:
bonds (distance) C4'-P energy: -150.937
bonds (distance) P-C4' energy: -168.210
flat angles C4'-P-C4' energy: -161.406
flat angles P-C4'-P energy: -114.893
tors. eta vs tors. theta energy: -203.767
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: 5, replica: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2267.731862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.731862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.343381 (E_RNA)
where:
Base-Base interactions energy: -1552.419
where: short stacking energy: -683.717
Base-Backbone interact. energy: 0.753
local terms energy: -717.677542
where:
bonds (distance) C4'-P energy: -138.438
bonds (distance) P-C4' energy: -146.030
flat angles C4'-P-C4' energy: -161.067
flat angles P-C4'-P energy: -99.543
tors. eta vs tors. theta energy: -172.600
Dist. restrs. and SS energy: 1.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2193.701019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.701019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.763336 (E_RNA)
where:
Base-Base interactions energy: -1476.705
where: short stacking energy: -657.509
Base-Backbone interact. energy: -3.157
local terms energy: -715.901888
where:
bonds (distance) C4'-P energy: -142.885
bonds (distance) P-C4' energy: -133.780
flat angles C4'-P-C4' energy: -152.526
flat angles P-C4'-P energy: -96.931
tors. eta vs tors. theta energy: -189.780
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: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2091.493782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.493782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.634878 (E_RNA)
where:
Base-Base interactions energy: -1440.323
where: short stacking energy: -616.579
Base-Backbone interact. energy: 1.029
local terms energy: -653.341047
where:
bonds (distance) C4'-P energy: -118.873
bonds (distance) P-C4' energy: -136.347
flat angles C4'-P-C4' energy: -137.059
flat angles P-C4'-P energy: -98.753
tors. eta vs tors. theta energy: -162.309
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2020.068507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.068507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.753412 (E_RNA)
where:
Base-Base interactions energy: -1349.100
where: short stacking energy: -569.577
Base-Backbone interact. energy: -1.189
local terms energy: -671.464238
where:
bonds (distance) C4'-P energy: -136.877
bonds (distance) P-C4' energy: -150.660
flat angles C4'-P-C4' energy: -128.884
flat angles P-C4'-P energy: -98.511
tors. eta vs tors. theta energy: -156.533
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1887.051629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.051629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.070455 (E_RNA)
where:
Base-Base interactions energy: -1269.565
where: short stacking energy: -515.776
Base-Backbone interact. energy: -1.560
local terms energy: -618.945419
where:
bonds (distance) C4'-P energy: -132.643
bonds (distance) P-C4' energy: -128.621
flat angles C4'-P-C4' energy: -146.613
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -125.479
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1837.160034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.160034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.306604 (E_RNA)
where:
Base-Base interactions energy: -1260.808
where: short stacking energy: -513.378
Base-Backbone interact. energy: 0.147
local terms energy: -580.645441
where:
bonds (distance) C4'-P energy: -111.630
bonds (distance) P-C4' energy: -138.539
flat angles C4'-P-C4' energy: -140.542
flat angles P-C4'-P energy: -68.982
tors. eta vs tors. theta energy: -120.952
Dist. restrs. and SS energy: 4.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2812.871854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.871854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.538844 (E_RNA)
where:
Base-Base interactions energy: -1948.047
where: short stacking energy: -798.452
Base-Backbone interact. energy: 2.059
local terms energy: -868.551222
where:
bonds (distance) C4'-P energy: -165.972
bonds (distance) P-C4' energy: -163.616
flat angles C4'-P-C4' energy: -181.154
flat angles P-C4'-P energy: -126.505
tors. eta vs tors. theta energy: -231.303
Dist. restrs. and SS energy: 1.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2694.553433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.553433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.466613 (E_RNA)
where:
Base-Base interactions energy: -1837.421
where: short stacking energy: -793.591
Base-Backbone interact. energy: -2.845
local terms energy: -856.201221
where:
bonds (distance) C4'-P energy: -152.812
bonds (distance) P-C4' energy: -168.009
flat angles C4'-P-C4' energy: -177.232
flat angles P-C4'-P energy: -130.311
tors. eta vs tors. theta energy: -227.838
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2624.701412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.701412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.126146 (E_RNA)
where:
Base-Base interactions energy: -1826.404
where: short stacking energy: -768.148
Base-Backbone interact. energy: -4.053
local terms energy: -797.669548
where:
bonds (distance) C4'-P energy: -152.410
bonds (distance) P-C4' energy: -157.236
flat angles C4'-P-C4' energy: -166.859
flat angles P-C4'-P energy: -105.885
tors. eta vs tors. theta energy: -215.280
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2508.916232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.916232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.349017 (E_RNA)
where:
Base-Base interactions energy: -1708.481
where: short stacking energy: -720.976
Base-Backbone interact. energy: -1.518
local terms energy: -800.350399
where:
bonds (distance) C4'-P energy: -152.143
bonds (distance) P-C4' energy: -146.471
flat angles C4'-P-C4' energy: -167.767
flat angles P-C4'-P energy: -112.958
tors. eta vs tors. theta energy: -221.012
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: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2234.280728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.206403 (E_RNA)
where:
Base-Base interactions energy: -1512.076
where: short stacking energy: -664.325
Base-Backbone interact. energy: 0.938
local terms energy: -726.068749
where:
bonds (distance) C4'-P energy: -139.341
bonds (distance) P-C4' energy: -155.232
flat angles C4'-P-C4' energy: -151.357
flat angles P-C4'-P energy: -103.337
tors. eta vs tors. theta energy: -176.802
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: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2168.355116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.355116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.168517 (E_RNA)
where:
Base-Base interactions energy: -1466.739
where: short stacking energy: -621.151
Base-Backbone interact. energy: -1.625
local terms energy: -701.804655
where:
bonds (distance) C4'-P energy: -133.236
bonds (distance) P-C4' energy: -145.012
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -102.990
tors. eta vs tors. theta energy: -164.700
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: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2107.154501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.154501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.944175 (E_RNA)
where:
Base-Base interactions energy: -1417.693
where: short stacking energy: -583.405
Base-Backbone interact. energy: -1.471
local terms energy: -689.780416
where:
bonds (distance) C4'-P energy: -120.565
bonds (distance) P-C4' energy: -160.218
flat angles C4'-P-C4' energy: -153.724
flat angles P-C4'-P energy: -102.722
tors. eta vs tors. theta energy: -152.551
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: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2040.055857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.055857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.022621 (E_RNA)
where:
Base-Base interactions energy: -1373.967
where: short stacking energy: -602.923
Base-Backbone interact. energy: -0.025
local terms energy: -669.030378
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -139.710
flat angles C4'-P-C4' energy: -158.605
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -162.786
Dist. restrs. and SS energy: 2.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1928.159816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.159816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.150891 (E_RNA)
where:
Base-Base interactions energy: -1331.604
where: short stacking energy: -557.818
Base-Backbone interact. energy: 2.605
local terms energy: -602.151582
where:
bonds (distance) C4'-P energy: -105.712
bonds (distance) P-C4' energy: -139.067
flat angles C4'-P-C4' energy: -137.429
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -133.598
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1850.318561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.318561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.734686 (E_RNA)
where:
Base-Base interactions energy: -1303.910
where: short stacking energy: -547.190
Base-Backbone interact. energy: -0.130
local terms energy: -549.694158
where:
bonds (distance) C4'-P energy: -102.927
bonds (distance) P-C4' energy: -128.777
flat angles C4'-P-C4' energy: -131.189
flat angles P-C4'-P energy: -58.037
tors. eta vs tors. theta energy: -128.764
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: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2834.359903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.359903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.200323 (E_RNA)
where:
Base-Base interactions energy: -1946.998
where: short stacking energy: -841.009
Base-Backbone interact. energy: -1.850
local terms energy: -887.352784
where:
bonds (distance) C4'-P energy: -165.170
bonds (distance) P-C4' energy: -179.342
flat angles C4'-P-C4' energy: -181.242
flat angles P-C4'-P energy: -108.570
tors. eta vs tors. theta energy: -253.029
Dist. restrs. and SS energy: 1.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2704.703624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.703624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.706991 (E_RNA)
where:
Base-Base interactions energy: -1867.772
where: short stacking energy: -775.840
Base-Backbone interact. energy: -2.971
local terms energy: -835.964190
where:
bonds (distance) C4'-P energy: -149.096
bonds (distance) P-C4' energy: -155.843
flat angles C4'-P-C4' energy: -173.643
flat angles P-C4'-P energy: -122.246
tors. eta vs tors. theta energy: -235.137
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: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2634.463180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.463180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.730291 (E_RNA)
where:
Base-Base interactions energy: -1807.838
where: short stacking energy: -769.343
Base-Backbone interact. energy: 1.064
local terms energy: -830.957147
where:
bonds (distance) C4'-P energy: -154.667
bonds (distance) P-C4' energy: -160.792
flat angles C4'-P-C4' energy: -177.958
flat angles P-C4'-P energy: -119.164
tors. eta vs tors. theta energy: -218.377
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2588.448516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.448516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.227834 (E_RNA)
where:
Base-Base interactions energy: -1763.031
where: short stacking energy: -737.867
Base-Backbone interact. energy: -1.398
local terms energy: -825.799048
where:
bonds (distance) C4'-P energy: -152.063
bonds (distance) P-C4' energy: -144.345
flat angles C4'-P-C4' energy: -179.689
flat angles P-C4'-P energy: -128.762
tors. eta vs tors. theta energy: -220.940
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: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2256.283593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.283593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.588901 (E_RNA)
where:
Base-Base interactions energy: -1522.036
where: short stacking energy: -694.668
Base-Backbone interact. energy: 1.477
local terms energy: -740.029700
where:
bonds (distance) C4'-P energy: -145.272
bonds (distance) P-C4' energy: -150.717
flat angles C4'-P-C4' energy: -158.690
flat angles P-C4'-P energy: -102.531
tors. eta vs tors. theta energy: -182.820
Dist. restrs. and SS energy: 4.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2172.545117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.545117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.662184 (E_RNA)
where:
Base-Base interactions energy: -1445.366
where: short stacking energy: -628.166
Base-Backbone interact. energy: 5.137
local terms energy: -734.432524
where:
bonds (distance) C4'-P energy: -111.466
bonds (distance) P-C4' energy: -159.674
flat angles C4'-P-C4' energy: -174.924
flat angles P-C4'-P energy: -114.041
tors. eta vs tors. theta energy: -174.327
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: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2091.489645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.489645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.532127 (E_RNA)
where:
Base-Base interactions energy: -1415.522
where: short stacking energy: -629.699
Base-Backbone interact. energy: -0.006
local terms energy: -679.004549
where:
bonds (distance) C4'-P energy: -130.753
bonds (distance) P-C4' energy: -128.209
flat angles C4'-P-C4' energy: -143.331
flat angles P-C4'-P energy: -104.463
tors. eta vs tors. theta energy: -172.248
Dist. restrs. and SS energy: 3.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2022.449615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.449615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.614366 (E_RNA)
where:
Base-Base interactions energy: -1385.277
where: short stacking energy: -601.079
Base-Backbone interact. energy: 2.026
local terms energy: -642.363269
where:
bonds (distance) C4'-P energy: -104.021
bonds (distance) P-C4' energy: -134.801
flat angles C4'-P-C4' energy: -139.319
flat angles P-C4'-P energy: -100.936
tors. eta vs tors. theta energy: -163.286
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: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1915.625833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.625833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.688808 (E_RNA)
where:
Base-Base interactions energy: -1324.700
where: short stacking energy: -547.732
Base-Backbone interact. energy: 2.356
local terms energy: -597.344668
where:
bonds (distance) C4'-P energy: -125.603
bonds (distance) P-C4' energy: -150.829
flat angles C4'-P-C4' energy: -122.545
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -129.769
Dist. restrs. and SS energy: 4.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1826.239717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.239717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.359806 (E_RNA)
where:
Base-Base interactions energy: -1248.586
where: short stacking energy: -522.870
Base-Backbone interact. energy: 3.750
local terms energy: -588.524037
where:
bonds (distance) C4'-P energy: -121.613
bonds (distance) P-C4' energy: -126.301
flat angles C4'-P-C4' energy: -134.712
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -123.522
Dist. restrs. and SS energy: 7.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2848.686637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.686637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.686058 (E_RNA)
where:
Base-Base interactions energy: -1960.149
where: short stacking energy: -819.336
Base-Backbone interact. energy: 0.759
local terms energy: -890.295321
where:
bonds (distance) C4'-P energy: -152.613
bonds (distance) P-C4' energy: -173.675
flat angles C4'-P-C4' energy: -185.386
flat angles P-C4'-P energy: -128.543
tors. eta vs tors. theta energy: -250.079
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2689.746021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.746021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.498534 (E_RNA)
where:
Base-Base interactions energy: -1875.093
where: short stacking energy: -776.896
Base-Backbone interact. energy: -6.416
local terms energy: -808.988951
where:
bonds (distance) C4'-P energy: -148.539
bonds (distance) P-C4' energy: -150.383
flat angles C4'-P-C4' energy: -173.396
flat angles P-C4'-P energy: -115.923
tors. eta vs tors. theta energy: -220.748
Dist. restrs. and SS energy: 0.753 (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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2627.095669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.095669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.032680 (E_RNA)
where:
Base-Base interactions energy: -1818.296
where: short stacking energy: -771.577
Base-Backbone interact. energy: -0.564
local terms energy: -811.173004
where:
bonds (distance) C4'-P energy: -141.594
bonds (distance) P-C4' energy: -144.197
flat angles C4'-P-C4' energy: -179.924
flat angles P-C4'-P energy: -121.895
tors. eta vs tors. theta energy: -223.563
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: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2519.991980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.991980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.455803 (E_RNA)
where:
Base-Base interactions energy: -1746.345
where: short stacking energy: -733.430
Base-Backbone interact. energy: -1.476
local terms energy: -776.634844
where:
bonds (distance) C4'-P energy: -152.506
bonds (distance) P-C4' energy: -147.631
flat angles C4'-P-C4' energy: -168.139
flat angles P-C4'-P energy: -103.409
tors. eta vs tors. theta energy: -204.950
Dist. restrs. and SS energy: 4.464 (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: 230
Temperature: 1.100000
Total energy: -2227.260324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.260324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.909705 (E_RNA)
where:
Base-Base interactions energy: -1476.696
where: short stacking energy: -645.011
Base-Backbone interact. energy: -3.405
local terms energy: -750.808981
where:
bonds (distance) C4'-P energy: -131.521
bonds (distance) P-C4' energy: -152.688
flat angles C4'-P-C4' energy: -161.260
flat angles P-C4'-P energy: -109.878
tors. eta vs tors. theta energy: -195.463
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: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2166.303644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.303644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.213946 (E_RNA)
where:
Base-Base interactions energy: -1464.776
where: short stacking energy: -614.789
Base-Backbone interact. energy: -1.986
local terms energy: -701.452234
where:
bonds (distance) C4'-P energy: -138.703
bonds (distance) P-C4' energy: -147.441
flat angles C4'-P-C4' energy: -164.580
flat angles P-C4'-P energy: -101.131
tors. eta vs tors. theta energy: -149.598
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: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2096.696277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.696277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.318613 (E_RNA)
where:
Base-Base interactions energy: -1398.609
where: short stacking energy: -582.829
Base-Backbone interact. energy: 2.238
local terms energy: -703.947477
where:
bonds (distance) C4'-P energy: -130.804
bonds (distance) P-C4' energy: -149.231
flat angles C4'-P-C4' energy: -153.232
flat angles P-C4'-P energy: -104.837
tors. eta vs tors. theta energy: -165.842
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: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2006.203029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.203029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.582051 (E_RNA)
where:
Base-Base interactions energy: -1366.342
where: short stacking energy: -586.482
Base-Backbone interact. energy: 3.524
local terms energy: -644.763403
where:
bonds (distance) C4'-P energy: -139.655
bonds (distance) P-C4' energy: -129.962
flat angles C4'-P-C4' energy: -130.338
flat angles P-C4'-P energy: -97.637
tors. eta vs tors. theta energy: -147.172
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1918.359120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.359120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.238751 (E_RNA)
where:
Base-Base interactions energy: -1282.841
where: short stacking energy: -544.090
Base-Backbone interact. energy: -2.322
local terms energy: -637.075364
where:
bonds (distance) C4'-P energy: -125.111
bonds (distance) P-C4' energy: -147.361
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -85.172
tors. eta vs tors. theta energy: -140.099
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: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1840.760356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.760356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.564518 (E_RNA)
where:
Base-Base interactions energy: -1224.473
where: short stacking energy: -509.074
Base-Backbone interact. energy: 1.723
local terms energy: -623.814728
where:
bonds (distance) C4'-P energy: -134.120
bonds (distance) P-C4' energy: -131.408
flat angles C4'-P-C4' energy: -139.390
flat angles P-C4'-P energy: -90.764
tors. eta vs tors. theta energy: -128.132
Dist. restrs. and SS energy: 5.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2832.812420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.812420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.620086 (E_RNA)
where:
Base-Base interactions energy: -1969.147
where: short stacking energy: -829.747
Base-Backbone interact. energy: -1.574
local terms energy: -864.899144
where:
bonds (distance) C4'-P energy: -167.939
bonds (distance) P-C4' energy: -155.242
flat angles C4'-P-C4' energy: -177.769
flat angles P-C4'-P energy: -129.567
tors. eta vs tors. theta energy: -234.381
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2710.862184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.862184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.276693 (E_RNA)
where:
Base-Base interactions energy: -1876.447
where: short stacking energy: -775.539
Base-Backbone interact. energy: -4.606
local terms energy: -831.224033
where:
bonds (distance) C4'-P energy: -146.260
bonds (distance) P-C4' energy: -155.607
flat angles C4'-P-C4' energy: -190.934
flat angles P-C4'-P energy: -114.728
tors. eta vs tors. theta energy: -223.695
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2669.867401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.592198 (E_RNA)
where:
Base-Base interactions energy: -1825.484
where: short stacking energy: -780.440
Base-Backbone interact. energy: 0.535
local terms energy: -846.642901
where:
bonds (distance) C4'-P energy: -149.031
bonds (distance) P-C4' energy: -160.718
flat angles C4'-P-C4' energy: -186.679
flat angles P-C4'-P energy: -132.436
tors. eta vs tors. theta energy: -217.779
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: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2451.372829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.372829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.408579 (E_RNA)
where:
Base-Base interactions energy: -1704.335
where: short stacking energy: -712.947
Base-Backbone interact. energy: 6.334
local terms energy: -755.407246
where:
bonds (distance) C4'-P energy: -128.035
bonds (distance) P-C4' energy: -158.430
flat angles C4'-P-C4' energy: -165.349
flat angles P-C4'-P energy: -97.012
tors. eta vs tors. theta energy: -206.581
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: 231
Temperature: 1.100000
Total energy: -2235.249853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.193157 (E_RNA)
where:
Base-Base interactions energy: -1506.080
where: short stacking energy: -637.570
Base-Backbone interact. energy: -1.500
local terms energy: -729.613244
where:
bonds (distance) C4'-P energy: -139.057
bonds (distance) P-C4' energy: -138.124
flat angles C4'-P-C4' energy: -170.796
flat angles P-C4'-P energy: -111.905
tors. eta vs tors. theta energy: -169.731
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2223.947044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.947044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.895787 (E_RNA)
where:
Base-Base interactions energy: -1491.533
where: short stacking energy: -644.973
Base-Backbone interact. energy: -4.396
local terms energy: -730.966625
where:
bonds (distance) C4'-P energy: -142.162
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -107.730
tors. eta vs tors. theta energy: -190.755
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2070.989922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.989922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.375625 (E_RNA)
where:
Base-Base interactions energy: -1398.515
where: short stacking energy: -614.161
Base-Backbone interact. energy: 2.961
local terms energy: -680.821617
where:
bonds (distance) C4'-P energy: -125.296
bonds (distance) P-C4' energy: -145.389
flat angles C4'-P-C4' energy: -150.036
flat angles P-C4'-P energy: -92.113
tors. eta vs tors. theta energy: -167.987
Dist. restrs. and SS energy: 5.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2002.037614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.037614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.532614 (E_RNA)
where:
Base-Base interactions energy: -1360.328
where: short stacking energy: -564.412
Base-Backbone interact. energy: 6.221
local terms energy: -650.426059
where:
bonds (distance) C4'-P energy: -121.509
bonds (distance) P-C4' energy: -139.987
flat angles C4'-P-C4' energy: -157.312
flat angles P-C4'-P energy: -88.915
tors. eta vs tors. theta energy: -142.702
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: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1931.187360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.187360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.948159 (E_RNA)
where:
Base-Base interactions energy: -1324.763
where: short stacking energy: -562.962
Base-Backbone interact. energy: 1.353
local terms energy: -610.537902
where:
bonds (distance) C4'-P energy: -116.506
bonds (distance) P-C4' energy: -126.353
flat angles C4'-P-C4' energy: -140.696
flat angles P-C4'-P energy: -81.032
tors. eta vs tors. theta energy: -145.951
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: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1845.258164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.258164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.498103 (E_RNA)
where:
Base-Base interactions energy: -1289.821
where: short stacking energy: -530.625
Base-Backbone interact. energy: -0.021
local terms energy: -557.655851
where:
bonds (distance) C4'-P energy: -110.036
bonds (distance) P-C4' energy: -119.334
flat angles C4'-P-C4' energy: -113.974
flat angles P-C4'-P energy: -97.973
tors. eta vs tors. theta energy: -116.338
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2825.432060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.432060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.768733 (E_RNA)
where:
Base-Base interactions energy: -1954.028
where: short stacking energy: -824.291
Base-Backbone interact. energy: -3.813
local terms energy: -869.928308
where:
bonds (distance) C4'-P energy: -154.539
bonds (distance) P-C4' energy: -163.923
flat angles C4'-P-C4' energy: -190.840
flat angles P-C4'-P energy: -127.507
tors. eta vs tors. theta energy: -233.119
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: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2678.677124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.677124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.817743 (E_RNA)
where:
Base-Base interactions energy: -1851.361
where: short stacking energy: -780.043
Base-Backbone interact. energy: -4.277
local terms energy: -824.180285
where:
bonds (distance) C4'-P energy: -163.590
bonds (distance) P-C4' energy: -153.722
flat angles C4'-P-C4' energy: -176.578
flat angles P-C4'-P energy: -109.657
tors. eta vs tors. theta energy: -220.634
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: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2669.047594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.047594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.369985 (E_RNA)
where:
Base-Base interactions energy: -1851.833
where: short stacking energy: -771.075
Base-Backbone interact. energy: -1.039
local terms energy: -817.498200
where:
bonds (distance) C4'-P energy: -154.493
bonds (distance) P-C4' energy: -143.651
flat angles C4'-P-C4' energy: -177.375
flat angles P-C4'-P energy: -120.247
tors. eta vs tors. theta energy: -221.733
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: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2490.888221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.888221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.086680 (E_RNA)
where:
Base-Base interactions energy: -1684.803
where: short stacking energy: -735.956
Base-Backbone interact. energy: -2.515
local terms energy: -805.767886
where:
bonds (distance) C4'-P energy: -141.457
bonds (distance) P-C4' energy: -162.482
flat angles C4'-P-C4' energy: -168.986
flat angles P-C4'-P energy: -116.415
tors. eta vs tors. theta energy: -216.428
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: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2338.347451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.152923 (E_RNA)
where:
Base-Base interactions energy: -1596.993
where: short stacking energy: -679.881
Base-Backbone interact. energy: -1.789
local terms energy: -741.371264
where:
bonds (distance) C4'-P energy: -131.683
bonds (distance) P-C4' energy: -157.669
flat angles C4'-P-C4' energy: -155.713
flat angles P-C4'-P energy: -104.671
tors. eta vs tors. theta energy: -191.636
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: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2186.573872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.573872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.027317 (E_RNA)
where:
Base-Base interactions energy: -1469.370
where: short stacking energy: -630.340
Base-Backbone interact. energy: 2.535
local terms energy: -722.192443
where:
bonds (distance) C4'-P energy: -151.467
bonds (distance) P-C4' energy: -149.725
flat angles C4'-P-C4' energy: -154.400
flat angles P-C4'-P energy: -94.157
tors. eta vs tors. theta energy: -172.443
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: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2051.724766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.724766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.799191 (E_RNA)
where:
Base-Base interactions energy: -1387.352
where: short stacking energy: -612.107
Base-Backbone interact. energy: -1.054
local terms energy: -665.392294
where:
bonds (distance) C4'-P energy: -130.202
bonds (distance) P-C4' energy: -135.739
flat angles C4'-P-C4' energy: -140.594
flat angles P-C4'-P energy: -98.177
tors. eta vs tors. theta energy: -160.679
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1974.150865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.150865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.848200 (E_RNA)
where:
Base-Base interactions energy: -1365.882
where: short stacking energy: -583.099
Base-Backbone interact. energy: 7.073
local terms energy: -617.039266
where:
bonds (distance) C4'-P energy: -115.523
bonds (distance) P-C4' energy: -121.968
flat angles C4'-P-C4' energy: -147.434
flat angles P-C4'-P energy: -89.592
tors. eta vs tors. theta energy: -142.521
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: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1937.395529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.395529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.505572 (E_RNA)
where:
Base-Base interactions energy: -1314.966
where: short stacking energy: -529.391
Base-Backbone interact. energy: 1.969
local terms energy: -627.508041
where:
bonds (distance) C4'-P energy: -111.001
bonds (distance) P-C4' energy: -138.844
flat angles C4'-P-C4' energy: -131.714
flat angles P-C4'-P energy: -100.601
tors. eta vs tors. theta energy: -145.347
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1886.269554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.269554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.276196 (E_RNA)
where:
Base-Base interactions energy: -1272.016
where: short stacking energy: -546.997
Base-Backbone interact. energy: -2.835
local terms energy: -616.424756
where:
bonds (distance) C4'-P energy: -135.266
bonds (distance) P-C4' energy: -122.339
flat angles C4'-P-C4' energy: -146.304
flat angles P-C4'-P energy: -69.527
tors. eta vs tors. theta energy: -142.987
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2872.757344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.757344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.139870 (E_RNA)
where:
Base-Base interactions energy: -1982.189
where: short stacking energy: -816.605
Base-Backbone interact. energy: -1.769
local terms energy: -891.181538
where:
bonds (distance) C4'-P energy: -167.557
bonds (distance) P-C4' energy: -176.189
flat angles C4'-P-C4' energy: -198.506
flat angles P-C4'-P energy: -117.568
tors. eta vs tors. theta energy: -231.361
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: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2683.476582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.476582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.860399 (E_RNA)
where:
Base-Base interactions energy: -1855.768
where: short stacking energy: -776.362
Base-Backbone interact. energy: -0.402
local terms energy: -828.690413
where:
bonds (distance) C4'-P energy: -150.124
bonds (distance) P-C4' energy: -156.549
flat angles C4'-P-C4' energy: -175.766
flat angles P-C4'-P energy: -117.824
tors. eta vs tors. theta energy: -228.428
Dist. restrs. and SS energy: 1.384 (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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2672.981484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.981484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.675575 (E_RNA)
where:
Base-Base interactions energy: -1832.458
where: short stacking energy: -776.992
Base-Backbone interact. energy: 3.584
local terms energy: -845.802072
where:
bonds (distance) C4'-P energy: -158.066
bonds (distance) P-C4' energy: -160.823
flat angles C4'-P-C4' energy: -178.652
flat angles P-C4'-P energy: -118.546
tors. eta vs tors. theta energy: -229.716
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: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2434.933193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.933193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.147995 (E_RNA)
where:
Base-Base interactions energy: -1662.934
where: short stacking energy: -695.801
Base-Backbone interact. energy: -0.350
local terms energy: -772.864499
where:
bonds (distance) C4'-P energy: -157.892
bonds (distance) P-C4' energy: -142.888
flat angles C4'-P-C4' energy: -160.011
flat angles P-C4'-P energy: -115.888
tors. eta vs tors. theta energy: -196.185
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: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2331.546911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.546911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.809820 (E_RNA)
where:
Base-Base interactions energy: -1572.924
where: short stacking energy: -683.546
Base-Backbone interact. energy: 0.481
local terms energy: -760.366353
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -167.833
flat angles P-C4'-P energy: -106.113
tors. eta vs tors. theta energy: -205.480
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2241.569615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.569615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.721432 (E_RNA)
where:
Base-Base interactions energy: -1498.452
where: short stacking energy: -664.692
Base-Backbone interact. energy: -3.022
local terms energy: -744.246793
where:
bonds (distance) C4'-P energy: -115.148
bonds (distance) P-C4' energy: -143.481
flat angles C4'-P-C4' energy: -173.687
flat angles P-C4'-P energy: -111.963
tors. eta vs tors. theta energy: -199.968
Dist. restrs. and SS energy: 4.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2043.152357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.152357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.920592 (E_RNA)
where:
Base-Base interactions energy: -1393.472
where: short stacking energy: -606.326
Base-Backbone interact. energy: 4.398
local terms energy: -656.846772
where:
bonds (distance) C4'-P energy: -119.628
bonds (distance) P-C4' energy: -128.385
flat angles C4'-P-C4' energy: -157.091
flat angles P-C4'-P energy: -100.850
tors. eta vs tors. theta energy: -150.892
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: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2009.660789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.660789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.276911 (E_RNA)
where:
Base-Base interactions energy: -1364.585
where: short stacking energy: -605.298
Base-Backbone interact. energy: -3.434
local terms energy: -644.257665
where:
bonds (distance) C4'-P energy: -126.114
bonds (distance) P-C4' energy: -144.543
flat angles C4'-P-C4' energy: -129.048
flat angles P-C4'-P energy: -92.625
tors. eta vs tors. theta energy: -151.928
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1894.133046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.133046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.636190 (E_RNA)
where:
Base-Base interactions energy: -1315.751
where: short stacking energy: -547.247
Base-Backbone interact. energy: 16.911
local terms energy: -598.796570
where:
bonds (distance) C4'-P energy: -117.356
bonds (distance) P-C4' energy: -133.920
flat angles C4'-P-C4' energy: -121.080
flat angles P-C4'-P energy: -97.572
tors. eta vs tors. theta energy: -128.869
Dist. restrs. and SS energy: 3.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1844.556041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.556041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.065434 (E_RNA)
where:
Base-Base interactions energy: -1285.868
where: short stacking energy: -545.599
Base-Backbone interact. energy: 0.479
local terms energy: -561.676312
where:
bonds (distance) C4'-P energy: -112.635
bonds (distance) P-C4' energy: -106.966
flat angles C4'-P-C4' energy: -122.059
flat angles P-C4'-P energy: -91.729
tors. eta vs tors. theta energy: -128.288
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2848.589199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.589199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.066904 (E_RNA)
where:
Base-Base interactions energy: -2002.923
where: short stacking energy: -821.763
Base-Backbone interact. energy: -0.433
local terms energy: -847.711303
where:
bonds (distance) C4'-P energy: -167.190
bonds (distance) P-C4' energy: -145.391
flat angles C4'-P-C4' energy: -168.614
flat angles P-C4'-P energy: -128.975
tors. eta vs tors. theta energy: -237.542
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: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2683.468777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.468777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.951798 (E_RNA)
where:
Base-Base interactions energy: -1841.011
where: short stacking energy: -760.181
Base-Backbone interact. energy: -5.153
local terms energy: -839.787250
where:
bonds (distance) C4'-P energy: -153.673
bonds (distance) P-C4' energy: -159.453
flat angles C4'-P-C4' energy: -175.353
flat angles P-C4'-P energy: -123.608
tors. eta vs tors. theta energy: -227.699
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2722.890418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.890418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.522217 (E_RNA)
where:
Base-Base interactions energy: -1888.414
where: short stacking energy: -766.093
Base-Backbone interact. energy: -3.523
local terms energy: -832.584933
where:
bonds (distance) C4'-P energy: -145.369
bonds (distance) P-C4' energy: -155.675
flat angles C4'-P-C4' energy: -183.612
flat angles P-C4'-P energy: -120.807
tors. eta vs tors. theta energy: -227.123
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: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2496.002226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.002226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.055650 (E_RNA)
where:
Base-Base interactions energy: -1704.406
where: short stacking energy: -714.850
Base-Backbone interact. energy: -0.514
local terms energy: -793.135375
where:
bonds (distance) C4'-P energy: -140.188
bonds (distance) P-C4' energy: -164.167
flat angles C4'-P-C4' energy: -168.353
flat angles P-C4'-P energy: -114.944
tors. eta vs tors. theta energy: -205.484
Dist. restrs. and SS energy: 2.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2318.351912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.351912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.123258 (E_RNA)
where:
Base-Base interactions energy: -1602.864
where: short stacking energy: -702.280
Base-Backbone interact. energy: -2.401
local terms energy: -714.858418
where:
bonds (distance) C4'-P energy: -143.288
bonds (distance) P-C4' energy: -121.070
flat angles C4'-P-C4' energy: -154.379
flat angles P-C4'-P energy: -105.664
tors. eta vs tors. theta energy: -190.456
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2194.233756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.233756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.615814 (E_RNA)
where:
Base-Base interactions energy: -1518.079
where: short stacking energy: -623.809
Base-Backbone interact. energy: -6.339
local terms energy: -671.197771
where:
bonds (distance) C4'-P energy: -137.485
bonds (distance) P-C4' energy: -140.868
flat angles C4'-P-C4' energy: -141.466
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -171.220
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: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2086.974609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.974609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.605775 (E_RNA)
where:
Base-Base interactions energy: -1433.790
where: short stacking energy: -617.141
Base-Backbone interact. energy: -2.446
local terms energy: -653.369883
where:
bonds (distance) C4'-P energy: -138.390
bonds (distance) P-C4' energy: -128.002
flat angles C4'-P-C4' energy: -136.027
flat angles P-C4'-P energy: -93.528
tors. eta vs tors. theta energy: -157.423
Dist. restrs. and SS energy: 2.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1992.630386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.630386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.052548 (E_RNA)
where:
Base-Base interactions energy: -1369.105
where: short stacking energy: -589.140
Base-Backbone interact. energy: 5.991
local terms energy: -631.938829
where:
bonds (distance) C4'-P energy: -129.802
bonds (distance) P-C4' energy: -120.940
flat angles C4'-P-C4' energy: -130.418
flat angles P-C4'-P energy: -95.249
tors. eta vs tors. theta energy: -155.530
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1969.605938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.761296 (E_RNA)
where:
Base-Base interactions energy: -1343.784
where: short stacking energy: -561.643
Base-Backbone interact. energy: -1.711
local terms energy: -626.266566
where:
bonds (distance) C4'-P energy: -133.621
bonds (distance) P-C4' energy: -124.388
flat angles C4'-P-C4' energy: -149.763
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -140.253
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1923.691894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.691894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.768512 (E_RNA)
where:
Base-Base interactions energy: -1327.490
where: short stacking energy: -580.368
Base-Backbone interact. energy: -0.196
local terms energy: -599.082395
where:
bonds (distance) C4'-P energy: -118.629
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -146.623
flat angles P-C4'-P energy: -69.378
tors. eta vs tors. theta energy: -146.398
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2853.302996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.302996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.340609 (E_RNA)
where:
Base-Base interactions energy: -1969.770
where: short stacking energy: -797.872
Base-Backbone interact. energy: -3.417
local terms energy: -881.153235
where:
bonds (distance) C4'-P energy: -167.074
bonds (distance) P-C4' energy: -176.985
flat angles C4'-P-C4' energy: -182.787
flat angles P-C4'-P energy: -125.508
tors. eta vs tors. theta energy: -228.799
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2737.514460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.514460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.266648 (E_RNA)
where:
Base-Base interactions energy: -1904.820
where: short stacking energy: -807.035
Base-Backbone interact. energy: -2.155
local terms energy: -833.291657
where:
bonds (distance) C4'-P energy: -144.615
bonds (distance) P-C4' energy: -152.024
flat angles C4'-P-C4' energy: -187.423
flat angles P-C4'-P energy: -122.637
tors. eta vs tors. theta energy: -226.591
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: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2611.657435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.657435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.948815 (E_RNA)
where:
Base-Base interactions energy: -1799.645
where: short stacking energy: -755.771
Base-Backbone interact. energy: -5.029
local terms energy: -809.275310
where:
bonds (distance) C4'-P energy: -131.897
bonds (distance) P-C4' energy: -163.014
flat angles C4'-P-C4' energy: -169.585
flat angles P-C4'-P energy: -128.795
tors. eta vs tors. theta energy: -215.984
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2532.129257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.129257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.530706 (E_RNA)
where:
Base-Base interactions energy: -1728.429
where: short stacking energy: -731.145
Base-Backbone interact. energy: -1.021
local terms energy: -804.080081
where:
bonds (distance) C4'-P energy: -148.195
bonds (distance) P-C4' energy: -153.630
flat angles C4'-P-C4' energy: -173.906
flat angles P-C4'-P energy: -119.343
tors. eta vs tors. theta energy: -209.005
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: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2282.616441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.616441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.817206 (E_RNA)
where:
Base-Base interactions energy: -1539.984
where: short stacking energy: -671.458
Base-Backbone interact. energy: 1.929
local terms energy: -746.762690
where:
bonds (distance) C4'-P energy: -143.252
bonds (distance) P-C4' energy: -144.354
flat angles C4'-P-C4' energy: -167.971
flat angles P-C4'-P energy: -105.176
tors. eta vs tors. theta energy: -186.009
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: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2157.500466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.500466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.005748 (E_RNA)
where:
Base-Base interactions energy: -1451.852
where: short stacking energy: -604.294
Base-Backbone interact. energy: 6.608
local terms energy: -714.761445
where:
bonds (distance) C4'-P energy: -149.380
bonds (distance) P-C4' energy: -139.710
flat angles C4'-P-C4' energy: -168.107
flat angles P-C4'-P energy: -105.633
tors. eta vs tors. theta energy: -151.931
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2075.185699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.185699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.642680 (E_RNA)
where:
Base-Base interactions energy: -1405.511
where: short stacking energy: -614.430
Base-Backbone interact. energy: -0.778
local terms energy: -671.354205
where:
bonds (distance) C4'-P energy: -130.370
bonds (distance) P-C4' energy: -130.930
flat angles C4'-P-C4' energy: -147.327
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -171.523
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: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1972.487820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.487820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.787147 (E_RNA)
where:
Base-Base interactions energy: -1343.473
where: short stacking energy: -588.842
Base-Backbone interact. energy: -1.225
local terms energy: -632.089333
where:
bonds (distance) C4'-P energy: -111.727
bonds (distance) P-C4' energy: -131.952
flat angles C4'-P-C4' energy: -167.811
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -142.954
Dist. restrs. and SS energy: 4.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1892.849189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.849189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.653145 (E_RNA)
where:
Base-Base interactions energy: -1335.952
where: short stacking energy: -562.143
Base-Backbone interact. energy: 10.247
local terms energy: -568.947565
where:
bonds (distance) C4'-P energy: -134.994
bonds (distance) P-C4' energy: -108.258
flat angles C4'-P-C4' energy: -120.535
flat angles P-C4'-P energy: -69.283
tors. eta vs tors. theta energy: -135.877
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: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1906.759698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.759698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.743673 (E_RNA)
where:
Base-Base interactions energy: -1287.345
where: short stacking energy: -574.117
Base-Backbone interact. energy: 1.563
local terms energy: -623.962195
where:
bonds (distance) C4'-P energy: -140.441
bonds (distance) P-C4' energy: -131.623
flat angles C4'-P-C4' energy: -113.874
flat angles P-C4'-P energy: -95.484
tors. eta vs tors. theta energy: -142.540
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2855.242746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.242746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.080741 (E_RNA)
where:
Base-Base interactions energy: -1985.086
where: short stacking energy: -827.911
Base-Backbone interact. energy: -0.668
local terms energy: -870.326420
where:
bonds (distance) C4'-P energy: -156.774
bonds (distance) P-C4' energy: -164.274
flat angles C4'-P-C4' energy: -175.101
flat angles P-C4'-P energy: -130.031
tors. eta vs tors. theta energy: -244.146
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: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2733.680340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.680340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.357109 (E_RNA)
where:
Base-Base interactions energy: -1898.206
where: short stacking energy: -782.852
Base-Backbone interact. energy: -1.292
local terms energy: -835.859875
where:
bonds (distance) C4'-P energy: -166.998
bonds (distance) P-C4' energy: -163.414
flat angles C4'-P-C4' energy: -182.003
flat angles P-C4'-P energy: -102.356
tors. eta vs tors. theta energy: -221.089
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: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2575.296941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.296941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.043699 (E_RNA)
where:
Base-Base interactions energy: -1760.161
where: short stacking energy: -748.358
Base-Backbone interact. energy: -5.808
local terms energy: -810.074006
where:
bonds (distance) C4'-P energy: -158.243
bonds (distance) P-C4' energy: -149.757
flat angles C4'-P-C4' energy: -171.960
flat angles P-C4'-P energy: -108.181
tors. eta vs tors. theta energy: -221.933
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: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2570.410875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.410875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.173729 (E_RNA)
where:
Base-Base interactions energy: -1770.740
where: short stacking energy: -745.905
Base-Backbone interact. energy: -4.780
local terms energy: -795.653496
where:
bonds (distance) C4'-P energy: -138.508
bonds (distance) P-C4' energy: -157.409
flat angles C4'-P-C4' energy: -162.723
flat angles P-C4'-P energy: -118.768
tors. eta vs tors. theta energy: -218.245
Dist. restrs. and SS energy: 0.763 (S_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: 236
Temperature: 1.100000
Total energy: -2343.392788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.392788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.243631 (E_RNA)
where:
Base-Base interactions energy: -1585.983
where: short stacking energy: -693.072
Base-Backbone interact. energy: -3.560
local terms energy: -755.701349
where:
bonds (distance) C4'-P energy: -121.480
bonds (distance) P-C4' energy: -145.142
flat angles C4'-P-C4' energy: -172.790
flat angles P-C4'-P energy: -103.827
tors. eta vs tors. theta energy: -212.462
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: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2181.583468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.583468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.324850 (E_RNA)
where:
Base-Base interactions energy: -1468.927
where: short stacking energy: -622.557
Base-Backbone interact. energy: 4.377
local terms energy: -718.775324
where:
bonds (distance) C4'-P energy: -145.727
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -156.888
flat angles P-C4'-P energy: -103.598
tors. eta vs tors. theta energy: -173.028
Dist. restrs. and SS energy: 1.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2063.235036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.235036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.441498 (E_RNA)
where:
Base-Base interactions energy: -1391.093
where: short stacking energy: -592.822
Base-Backbone interact. energy: -3.725
local terms energy: -670.623675
where:
bonds (distance) C4'-P energy: -141.450
bonds (distance) P-C4' energy: -135.132
flat angles C4'-P-C4' energy: -149.062
flat angles P-C4'-P energy: -82.838
tors. eta vs tors. theta energy: -162.141
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2019.223944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.223944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.767627 (E_RNA)
where:
Base-Base interactions energy: -1368.538
where: short stacking energy: -586.685
Base-Backbone interact. energy: 4.533
local terms energy: -656.763195
where:
bonds (distance) C4'-P energy: -129.656
bonds (distance) P-C4' energy: -143.271
flat angles C4'-P-C4' energy: -144.331
flat angles P-C4'-P energy: -82.643
tors. eta vs tors. theta energy: -156.862
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: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1925.857157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.857157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.450361 (E_RNA)
where:
Base-Base interactions energy: -1302.639
where: short stacking energy: -565.945
Base-Backbone interact. energy: 2.956
local terms energy: -628.767028
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -136.690
flat angles C4'-P-C4' energy: -153.468
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -134.927
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: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1840.622927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.622927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.980966 (E_RNA)
where:
Base-Base interactions energy: -1254.135
where: short stacking energy: -522.338
Base-Backbone interact. energy: 4.239
local terms energy: -594.085621
where:
bonds (distance) C4'-P energy: -125.673
bonds (distance) P-C4' energy: -108.454
flat angles C4'-P-C4' energy: -130.480
flat angles P-C4'-P energy: -96.450
tors. eta vs tors. theta energy: -133.029
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2858.440241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.440241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.096579 (E_RNA)
where:
Base-Base interactions energy: -1989.450
where: short stacking energy: -811.790
Base-Backbone interact. energy: 0.087
local terms energy: -870.733495
where:
bonds (distance) C4'-P energy: -163.845
bonds (distance) P-C4' energy: -156.820
flat angles C4'-P-C4' energy: -173.369
flat angles P-C4'-P energy: -131.387
tors. eta vs tors. theta energy: -245.313
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: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2725.840261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.840261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.937831 (E_RNA)
where:
Base-Base interactions energy: -1896.219
where: short stacking energy: -795.535
Base-Backbone interact. energy: -3.793
local terms energy: -826.925528
where:
bonds (distance) C4'-P energy: -144.286
bonds (distance) P-C4' energy: -156.724
flat angles C4'-P-C4' energy: -172.359
flat angles P-C4'-P energy: -128.484
tors. eta vs tors. theta energy: -225.073
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: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2591.983407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.983407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.719547 (E_RNA)
where:
Base-Base interactions energy: -1775.612
where: short stacking energy: -741.999
Base-Backbone interact. energy: 1.816
local terms energy: -819.923066
where:
bonds (distance) C4'-P energy: -141.470
bonds (distance) P-C4' energy: -159.790
flat angles C4'-P-C4' energy: -173.128
flat angles P-C4'-P energy: -125.052
tors. eta vs tors. theta energy: -220.483
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2519.135792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.135792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.396612 (E_RNA)
where:
Base-Base interactions energy: -1718.547
where: short stacking energy: -731.162
Base-Backbone interact. energy: -5.453
local terms energy: -798.395988
where:
bonds (distance) C4'-P energy: -147.260
bonds (distance) P-C4' energy: -142.899
flat angles C4'-P-C4' energy: -171.812
flat angles P-C4'-P energy: -113.548
tors. eta vs tors. theta energy: -222.877
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2307.326255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.326255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.410382 (E_RNA)
where:
Base-Base interactions energy: -1546.967
where: short stacking energy: -651.783
Base-Backbone interact. energy: 0.763
local terms energy: -763.207129
where:
bonds (distance) C4'-P energy: -162.281
bonds (distance) P-C4' energy: -159.386
flat angles C4'-P-C4' energy: -155.274
flat angles P-C4'-P energy: -113.981
tors. eta vs tors. theta energy: -172.284
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2150.845936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.845936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.680488 (E_RNA)
where:
Base-Base interactions energy: -1437.028
where: short stacking energy: -596.551
Base-Backbone interact. energy: 1.825
local terms energy: -718.477133
where:
bonds (distance) C4'-P energy: -141.517
bonds (distance) P-C4' energy: -130.410
flat angles C4'-P-C4' energy: -166.637
flat angles P-C4'-P energy: -111.735
tors. eta vs tors. theta energy: -168.179
Dist. restrs. and SS energy: 2.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2085.381802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.381802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.771209 (E_RNA)
where:
Base-Base interactions energy: -1405.705
where: short stacking energy: -593.692
Base-Backbone interact. energy: -1.481
local terms energy: -681.584795
where:
bonds (distance) C4'-P energy: -133.117
bonds (distance) P-C4' energy: -140.619
flat angles C4'-P-C4' energy: -149.282
flat angles P-C4'-P energy: -110.146
tors. eta vs tors. theta energy: -148.420
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: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2041.779136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.779136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.971373 (E_RNA)
where:
Base-Base interactions energy: -1377.403
where: short stacking energy: -584.143
Base-Backbone interact. energy: -3.279
local terms energy: -664.289395
where:
bonds (distance) C4'-P energy: -130.202
bonds (distance) P-C4' energy: -133.508
flat angles C4'-P-C4' energy: -147.785
flat angles P-C4'-P energy: -103.442
tors. eta vs tors. theta energy: -149.352
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1942.009700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.009700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.668411 (E_RNA)
where:
Base-Base interactions energy: -1307.745
where: short stacking energy: -547.459
Base-Backbone interact. energy: -3.445
local terms energy: -634.478789
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -151.272
flat angles P-C4'-P energy: -86.744
tors. eta vs tors. theta energy: -140.614
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: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1840.878866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.878866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.436371 (E_RNA)
where:
Base-Base interactions energy: -1282.537
where: short stacking energy: -522.647
Base-Backbone interact. energy: 0.985
local terms energy: -560.884555
where:
bonds (distance) C4'-P energy: -120.527
bonds (distance) P-C4' energy: -116.977
flat angles C4'-P-C4' energy: -129.037
flat angles P-C4'-P energy: -65.895
tors. eta vs tors. theta energy: -128.449
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2819.282767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.282767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.945670 (E_RNA)
where:
Base-Base interactions energy: -1961.612
where: short stacking energy: -818.653
Base-Backbone interact. energy: -1.836
local terms energy: -858.497300
where:
bonds (distance) C4'-P energy: -148.719
bonds (distance) P-C4' energy: -152.936
flat angles C4'-P-C4' energy: -188.489
flat angles P-C4'-P energy: -126.825
tors. eta vs tors. theta energy: -241.529
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2724.952442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.952442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.030962 (E_RNA)
where:
Base-Base interactions energy: -1867.725
where: short stacking energy: -803.351
Base-Backbone interact. energy: 1.441
local terms energy: -859.747168
where:
bonds (distance) C4'-P energy: -163.931
bonds (distance) P-C4' energy: -178.810
flat angles C4'-P-C4' energy: -170.603
flat angles P-C4'-P energy: -114.312
tors. eta vs tors. theta energy: -232.091
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: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2626.224535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.224535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.270654 (E_RNA)
where:
Base-Base interactions energy: -1821.810
where: short stacking energy: -776.901
Base-Backbone interact. energy: -4.686
local terms energy: -801.775243
where:
bonds (distance) C4'-P energy: -151.086
bonds (distance) P-C4' energy: -150.164
flat angles C4'-P-C4' energy: -174.102
flat angles P-C4'-P energy: -111.724
tors. eta vs tors. theta energy: -214.699
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: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2535.039778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.039778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.273702 (E_RNA)
where:
Base-Base interactions energy: -1754.430
where: short stacking energy: -736.045
Base-Backbone interact. energy: -1.492
local terms energy: -781.351835
where:
bonds (distance) C4'-P energy: -145.057
bonds (distance) P-C4' energy: -140.334
flat angles C4'-P-C4' energy: -179.368
flat angles P-C4'-P energy: -105.462
tors. eta vs tors. theta energy: -211.131
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: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2362.987477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.300653 (E_RNA)
where:
Base-Base interactions energy: -1600.385
where: short stacking energy: -692.369
Base-Backbone interact. energy: -2.333
local terms energy: -761.582713
where:
bonds (distance) C4'-P energy: -152.224
bonds (distance) P-C4' energy: -143.513
flat angles C4'-P-C4' energy: -159.417
flat angles P-C4'-P energy: -117.324
tors. eta vs tors. theta energy: -189.105
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2167.805537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.805537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.263053 (E_RNA)
where:
Base-Base interactions energy: -1448.933
where: short stacking energy: -630.770
Base-Backbone interact. energy: 0.567
local terms energy: -721.896473
where:
bonds (distance) C4'-P energy: -128.303
bonds (distance) P-C4' energy: -156.022
flat angles C4'-P-C4' energy: -165.141
flat angles P-C4'-P energy: -101.456
tors. eta vs tors. theta energy: -170.974
Dist. restrs. and SS energy: 2.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2092.546686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.546686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.078452 (E_RNA)
where:
Base-Base interactions energy: -1417.908
where: short stacking energy: -616.168
Base-Backbone interact. energy: -0.871
local terms energy: -678.299286
where:
bonds (distance) C4'-P energy: -113.475
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -160.962
flat angles P-C4'-P energy: -93.692
tors. eta vs tors. theta energy: -169.577
Dist. restrs. and SS energy: 4.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1995.054913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.054913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.922242 (E_RNA)
where:
Base-Base interactions energy: -1351.064
where: short stacking energy: -570.577
Base-Backbone interact. energy: -0.182
local terms energy: -645.676305
where:
bonds (distance) C4'-P energy: -117.689
bonds (distance) P-C4' energy: -130.401
flat angles C4'-P-C4' energy: -160.178
flat angles P-C4'-P energy: -90.173
tors. eta vs tors. theta energy: -147.235
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: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1862.523363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.523363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.143334 (E_RNA)
where:
Base-Base interactions energy: -1259.765
where: short stacking energy: -534.556
Base-Backbone interact. energy: 0.537
local terms energy: -606.915217
where:
bonds (distance) C4'-P energy: -113.408
bonds (distance) P-C4' energy: -137.018
flat angles C4'-P-C4' energy: -151.655
flat angles P-C4'-P energy: -73.755
tors. eta vs tors. theta energy: -131.078
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1854.910974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.910974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.839652 (E_RNA)
where:
Base-Base interactions energy: -1260.829
where: short stacking energy: -504.016
Base-Backbone interact. energy: -0.950
local terms energy: -596.060602
where:
bonds (distance) C4'-P energy: -130.490
bonds (distance) P-C4' energy: -101.551
flat angles C4'-P-C4' energy: -149.635
flat angles P-C4'-P energy: -80.110
tors. eta vs tors. theta energy: -134.274
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2829.299411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.299411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.390305 (E_RNA)
where:
Base-Base interactions energy: -1954.705
where: short stacking energy: -820.999
Base-Backbone interact. energy: -4.827
local terms energy: -870.858645
where:
bonds (distance) C4'-P energy: -154.225
bonds (distance) P-C4' energy: -174.104
flat angles C4'-P-C4' energy: -188.074
flat angles P-C4'-P energy: -119.306
tors. eta vs tors. theta energy: -235.149
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2752.122230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.122230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.318155 (E_RNA)
where:
Base-Base interactions energy: -1910.089
where: short stacking energy: -790.021
Base-Backbone interact. energy: -3.046
local terms energy: -841.183212
where:
bonds (distance) C4'-P energy: -164.735
bonds (distance) P-C4' energy: -166.730
flat angles C4'-P-C4' energy: -167.467
flat angles P-C4'-P energy: -116.588
tors. eta vs tors. theta energy: -225.662
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: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2612.882022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.882022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.785588 (E_RNA)
where:
Base-Base interactions energy: -1784.659
where: short stacking energy: -774.775
Base-Backbone interact. energy: -4.658
local terms energy: -825.468263
where:
bonds (distance) C4'-P energy: -159.573
bonds (distance) P-C4' energy: -153.426
flat angles C4'-P-C4' energy: -185.467
flat angles P-C4'-P energy: -99.376
tors. eta vs tors. theta energy: -227.626
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2487.407900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.407900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.669620 (E_RNA)
where:
Base-Base interactions energy: -1723.707
where: short stacking energy: -739.335
Base-Backbone interact. energy: 2.814
local terms energy: -769.776394
where:
bonds (distance) C4'-P energy: -148.684
bonds (distance) P-C4' energy: -140.529
flat angles C4'-P-C4' energy: -168.827
flat angles P-C4'-P energy: -96.262
tors. eta vs tors. theta energy: -215.474
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2261.910772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.910772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.348256 (E_RNA)
where:
Base-Base interactions energy: -1575.699
where: short stacking energy: -693.507
Base-Backbone interact. energy: 1.187
local terms energy: -688.836811
where:
bonds (distance) C4'-P energy: -124.464
bonds (distance) P-C4' energy: -122.690
flat angles C4'-P-C4' energy: -151.461
flat angles P-C4'-P energy: -92.810
tors. eta vs tors. theta energy: -197.411
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: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2168.700458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.700458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.903681 (E_RNA)
where:
Base-Base interactions energy: -1463.668
where: short stacking energy: -648.139
Base-Backbone interact. energy: 17.703
local terms energy: -723.938150
where:
bonds (distance) C4'-P energy: -124.921
bonds (distance) P-C4' energy: -136.654
flat angles C4'-P-C4' energy: -146.574
flat angles P-C4'-P energy: -122.737
tors. eta vs tors. theta energy: -193.051
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: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2081.729039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.729039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.138245 (E_RNA)
where:
Base-Base interactions energy: -1395.795
where: short stacking energy: -599.364
Base-Backbone interact. energy: -0.092
local terms energy: -689.251293
where:
bonds (distance) C4'-P energy: -134.665
bonds (distance) P-C4' energy: -144.586
flat angles C4'-P-C4' energy: -156.155
flat angles P-C4'-P energy: -85.464
tors. eta vs tors. theta energy: -168.382
Dist. restrs. and SS energy: 3.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2034.527488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.527488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.597877 (E_RNA)
where:
Base-Base interactions energy: -1355.466
where: short stacking energy: -574.455
Base-Backbone interact. energy: -3.890
local terms energy: -676.242230
where:
bonds (distance) C4'-P energy: -133.448
bonds (distance) P-C4' energy: -123.323
flat angles C4'-P-C4' energy: -156.601
flat angles P-C4'-P energy: -96.372
tors. eta vs tors. theta energy: -166.499
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: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1938.126230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.126230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.982580 (E_RNA)
where:
Base-Base interactions energy: -1300.770
where: short stacking energy: -544.195
Base-Backbone interact. energy: 2.574
local terms energy: -642.785965
where:
bonds (distance) C4'-P energy: -127.927
bonds (distance) P-C4' energy: -121.600
flat angles C4'-P-C4' energy: -129.238
flat angles P-C4'-P energy: -110.803
tors. eta vs tors. theta energy: -153.218
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: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1876.439957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.439957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.547994 (E_RNA)
where:
Base-Base interactions energy: -1252.398
where: short stacking energy: -526.407
Base-Backbone interact. energy: 2.217
local terms energy: -630.367068
where:
bonds (distance) C4'-P energy: -139.888
bonds (distance) P-C4' energy: -127.352
flat angles C4'-P-C4' energy: -135.565
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -132.398
Dist. restrs. and SS energy: 4.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2841.678083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.678083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.311766 (E_RNA)
where:
Base-Base interactions energy: -1958.373
where: short stacking energy: -807.405
Base-Backbone interact. energy: -4.248
local terms energy: -880.690137
where:
bonds (distance) C4'-P energy: -157.422
bonds (distance) P-C4' energy: -162.361
flat angles C4'-P-C4' energy: -188.857
flat angles P-C4'-P energy: -128.441
tors. eta vs tors. theta energy: -243.608
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: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2770.791148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.791148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.429492 (E_RNA)
where:
Base-Base interactions energy: -1910.159
where: short stacking energy: -810.917
Base-Backbone interact. energy: -4.832
local terms energy: -857.438372
where:
bonds (distance) C4'-P energy: -143.702
bonds (distance) P-C4' energy: -159.918
flat angles C4'-P-C4' energy: -196.639
flat angles P-C4'-P energy: -128.514
tors. eta vs tors. theta energy: -228.666
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: 240
Temperature: 1.000000
Total energy: -2623.014021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.014021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.934916 (E_RNA)
where:
Base-Base interactions energy: -1808.594
where: short stacking energy: -765.435
Base-Backbone interact. energy: -3.584
local terms energy: -812.757385
where:
bonds (distance) C4'-P energy: -148.378
bonds (distance) P-C4' energy: -158.416
flat angles C4'-P-C4' energy: -172.645
flat angles P-C4'-P energy: -108.303
tors. eta vs tors. theta energy: -225.016
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: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2536.363190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.363190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.394447 (E_RNA)
where:
Base-Base interactions energy: -1735.687
where: short stacking energy: -732.724
Base-Backbone interact. energy: -2.383
local terms energy: -800.324708
where:
bonds (distance) C4'-P energy: -143.822
bonds (distance) P-C4' energy: -146.872
flat angles C4'-P-C4' energy: -180.636
flat angles P-C4'-P energy: -116.869
tors. eta vs tors. theta energy: -212.126
Dist. restrs. and SS energy: 2.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2285.392255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.392255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.569924 (E_RNA)
where:
Base-Base interactions energy: -1521.800
where: short stacking energy: -670.823
Base-Backbone interact. energy: -1.508
local terms energy: -764.261873
where:
bonds (distance) C4'-P energy: -144.482
bonds (distance) P-C4' energy: -152.794
flat angles C4'-P-C4' energy: -165.508
flat angles P-C4'-P energy: -105.551
tors. eta vs tors. theta energy: -195.927
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: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2141.356552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.356552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.600373 (E_RNA)
where:
Base-Base interactions energy: -1451.212
where: short stacking energy: -655.524
Base-Backbone interact. energy: -3.270
local terms energy: -689.118779
where:
bonds (distance) C4'-P energy: -139.401
bonds (distance) P-C4' energy: -133.687
flat angles C4'-P-C4' energy: -150.418
flat angles P-C4'-P energy: -106.459
tors. eta vs tors. theta energy: -159.153
Dist. restrs. and SS energy: 2.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2107.100165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.100165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.369404 (E_RNA)
where:
Base-Base interactions energy: -1436.216
where: short stacking energy: -602.445
Base-Backbone interact. energy: 2.836
local terms energy: -676.989895
where:
bonds (distance) C4'-P energy: -121.878
bonds (distance) P-C4' energy: -133.173
flat angles C4'-P-C4' energy: -157.632
flat angles P-C4'-P energy: -95.079
tors. eta vs tors. theta energy: -169.227
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: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2016.674398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.674398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.221498 (E_RNA)
where:
Base-Base interactions energy: -1365.407
where: short stacking energy: -573.460
Base-Backbone interact. energy: 2.264
local terms energy: -656.079162
where:
bonds (distance) C4'-P energy: -122.999
bonds (distance) P-C4' energy: -156.037
flat angles C4'-P-C4' energy: -127.637
flat angles P-C4'-P energy: -94.168
tors. eta vs tors. theta energy: -155.238
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1955.046895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.046895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.357036 (E_RNA)
where:
Base-Base interactions energy: -1358.127
where: short stacking energy: -582.744
Base-Backbone interact. energy: 0.478
local terms energy: -599.708009
where:
bonds (distance) C4'-P energy: -118.121
bonds (distance) P-C4' energy: -124.317
flat angles C4'-P-C4' energy: -125.363
flat angles P-C4'-P energy: -89.438
tors. eta vs tors. theta energy: -142.469
Dist. restrs. and SS energy: 2.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1841.415363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.415363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.437336 (E_RNA)
where:
Base-Base interactions energy: -1277.504
where: short stacking energy: -537.162
Base-Backbone interact. energy: -1.302
local terms energy: -565.631012
where:
bonds (distance) C4'-P energy: -107.504
bonds (distance) P-C4' energy: -107.012
flat angles C4'-P-C4' energy: -143.940
flat angles P-C4'-P energy: -75.076
tors. eta vs tors. theta energy: -132.098
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2840.327723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.327723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.311652 (E_RNA)
where:
Base-Base interactions energy: -1974.802
where: short stacking energy: -837.315
Base-Backbone interact. energy: -3.381
local terms energy: -863.127819
where:
bonds (distance) C4'-P energy: -148.084
bonds (distance) P-C4' energy: -171.005
flat angles C4'-P-C4' energy: -184.997
flat angles P-C4'-P energy: -121.338
tors. eta vs tors. theta energy: -237.704
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: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2803.944053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.944053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.020751 (E_RNA)
where:
Base-Base interactions energy: -1927.914
where: short stacking energy: -823.242
Base-Backbone interact. energy: 1.510
local terms energy: -878.616480
where:
bonds (distance) C4'-P energy: -146.938
bonds (distance) P-C4' energy: -158.677
flat angles C4'-P-C4' energy: -194.299
flat angles P-C4'-P energy: -135.072
tors. eta vs tors. theta energy: -243.630
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2570.413700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.413700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.226670 (E_RNA)
where:
Base-Base interactions energy: -1776.499
where: short stacking energy: -773.324
Base-Backbone interact. energy: -3.167
local terms energy: -793.560666
where:
bonds (distance) C4'-P energy: -134.886
bonds (distance) P-C4' energy: -137.037
flat angles C4'-P-C4' energy: -178.114
flat angles P-C4'-P energy: -116.883
tors. eta vs tors. theta energy: -226.641
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: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2523.055209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.055209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.558262 (E_RNA)
where:
Base-Base interactions energy: -1691.828
where: short stacking energy: -719.974
Base-Backbone interact. energy: -2.596
local terms energy: -830.134012
where:
bonds (distance) C4'-P energy: -147.860
bonds (distance) P-C4' energy: -150.501
flat angles C4'-P-C4' energy: -181.603
flat angles P-C4'-P energy: -132.247
tors. eta vs tors. theta energy: -217.924
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: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2256.918784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.918784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.185077 (E_RNA)
where:
Base-Base interactions energy: -1504.819
where: short stacking energy: -669.232
Base-Backbone interact. energy: -0.626
local terms energy: -753.740428
where:
bonds (distance) C4'-P energy: -148.543
bonds (distance) P-C4' energy: -141.010
flat angles C4'-P-C4' energy: -157.927
flat angles P-C4'-P energy: -108.889
tors. eta vs tors. theta energy: -197.371
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2169.359014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.359014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.263955 (E_RNA)
where:
Base-Base interactions energy: -1458.235
where: short stacking energy: -648.050
Base-Backbone interact. energy: 5.893
local terms energy: -718.921586
where:
bonds (distance) C4'-P energy: -146.899
bonds (distance) P-C4' energy: -154.027
flat angles C4'-P-C4' energy: -146.693
flat angles P-C4'-P energy: -104.814
tors. eta vs tors. theta energy: -166.489
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: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2089.398447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.398447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.847471 (E_RNA)
where:
Base-Base interactions energy: -1396.333
where: short stacking energy: -600.649
Base-Backbone interact. energy: -0.296
local terms energy: -695.218782
where:
bonds (distance) C4'-P energy: -125.502
bonds (distance) P-C4' energy: -142.790
flat angles C4'-P-C4' energy: -167.957
flat angles P-C4'-P energy: -95.099
tors. eta vs tors. theta energy: -163.872
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: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2028.335980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.335980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.899720 (E_RNA)
where:
Base-Base interactions energy: -1388.053
where: short stacking energy: -600.139
Base-Backbone interact. energy: 7.487
local terms energy: -652.333790
where:
bonds (distance) C4'-P energy: -113.868
bonds (distance) P-C4' energy: -142.030
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -86.762
tors. eta vs tors. theta energy: -168.281
Dist. restrs. and SS energy: 4.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1936.292947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.292947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.738454 (E_RNA)
where:
Base-Base interactions energy: -1305.401
where: short stacking energy: -564.024
Base-Backbone interact. energy: -1.413
local terms energy: -631.923844
where:
bonds (distance) C4'-P energy: -122.456
bonds (distance) P-C4' energy: -146.119
flat angles C4'-P-C4' energy: -133.931
flat angles P-C4'-P energy: -91.131
tors. eta vs tors. theta energy: -138.287
Dist. restrs. and SS energy: 2.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1819.068968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.068968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.405951 (E_RNA)
where:
Base-Base interactions energy: -1242.184
where: short stacking energy: -509.442
Base-Backbone interact. energy: 0.113
local terms energy: -582.334429
where:
bonds (distance) C4'-P energy: -104.923
bonds (distance) P-C4' energy: -134.808
flat angles C4'-P-C4' energy: -139.037
flat angles P-C4'-P energy: -85.519
tors. eta vs tors. theta energy: -118.046
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: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2821.415807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.415807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.550663 (E_RNA)
where:
Base-Base interactions energy: -1974.649
where: short stacking energy: -817.895
Base-Backbone interact. energy: -1.928
local terms energy: -845.973496
where:
bonds (distance) C4'-P energy: -169.213
bonds (distance) P-C4' energy: -147.551
flat angles C4'-P-C4' energy: -181.335
flat angles P-C4'-P energy: -115.597
tors. eta vs tors. theta energy: -232.277
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2779.639358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.639358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.111202 (E_RNA)
where:
Base-Base interactions energy: -1921.101
where: short stacking energy: -808.006
Base-Backbone interact. energy: -3.032
local terms energy: -856.977999
where:
bonds (distance) C4'-P energy: -146.118
bonds (distance) P-C4' energy: -162.748
flat angles C4'-P-C4' energy: -185.710
flat angles P-C4'-P energy: -127.696
tors. eta vs tors. theta energy: -234.705
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: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2535.474289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.474289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.073811 (E_RNA)
where:
Base-Base interactions energy: -1717.446
where: short stacking energy: -739.095
Base-Backbone interact. energy: -3.315
local terms energy: -816.313488
where:
bonds (distance) C4'-P energy: -164.471
bonds (distance) P-C4' energy: -144.831
flat angles C4'-P-C4' energy: -174.533
flat angles P-C4'-P energy: -118.298
tors. eta vs tors. theta energy: -214.180
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2552.273560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.273560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.785821 (E_RNA)
where:
Base-Base interactions energy: -1765.724
where: short stacking energy: -735.624
Base-Backbone interact. energy: -1.797
local terms energy: -787.264349
where:
bonds (distance) C4'-P energy: -155.894
bonds (distance) P-C4' energy: -135.013
flat angles C4'-P-C4' energy: -174.255
flat angles P-C4'-P energy: -111.741
tors. eta vs tors. theta energy: -210.362
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: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2344.997023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.997023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.868407 (E_RNA)
where:
Base-Base interactions energy: -1585.322
where: short stacking energy: -700.892
Base-Backbone interact. energy: -1.271
local terms energy: -760.275846
where:
bonds (distance) C4'-P energy: -137.129
bonds (distance) P-C4' energy: -166.663
flat angles C4'-P-C4' energy: -164.112
flat angles P-C4'-P energy: -100.201
tors. eta vs tors. theta energy: -192.171
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: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2164.896805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.896805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.515166 (E_RNA)
where:
Base-Base interactions energy: -1468.066
where: short stacking energy: -640.480
Base-Backbone interact. energy: -1.125
local terms energy: -698.323599
where:
bonds (distance) C4'-P energy: -143.357
bonds (distance) P-C4' energy: -143.636
flat angles C4'-P-C4' energy: -157.698
flat angles P-C4'-P energy: -92.326
tors. eta vs tors. theta energy: -161.306
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2082.639546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.639546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.669374 (E_RNA)
where:
Base-Base interactions energy: -1408.057
where: short stacking energy: -585.899
Base-Backbone interact. energy: -0.208
local terms energy: -676.404196
where:
bonds (distance) C4'-P energy: -138.071
bonds (distance) P-C4' energy: -138.362
flat angles C4'-P-C4' energy: -143.808
flat angles P-C4'-P energy: -103.002
tors. eta vs tors. theta energy: -153.162
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2022.595469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.595469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.037662 (E_RNA)
where:
Base-Base interactions energy: -1386.443
where: short stacking energy: -579.667
Base-Backbone interact. energy: 5.465
local terms energy: -644.059097
where:
bonds (distance) C4'-P energy: -122.191
bonds (distance) P-C4' energy: -132.696
flat angles C4'-P-C4' energy: -145.078
flat angles P-C4'-P energy: -81.642
tors. eta vs tors. theta energy: -162.452
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: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1933.541874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.541874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.414096 (E_RNA)
where:
Base-Base interactions energy: -1291.952
where: short stacking energy: -543.322
Base-Backbone interact. energy: 2.912
local terms energy: -647.374022
where:
bonds (distance) C4'-P energy: -121.920
bonds (distance) P-C4' energy: -134.461
flat angles C4'-P-C4' energy: -147.253
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -149.566
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1837.664119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.664119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.589614 (E_RNA)
where:
Base-Base interactions energy: -1248.855
where: short stacking energy: -513.737
Base-Backbone interact. energy: 2.661
local terms energy: -594.395998
where:
bonds (distance) C4'-P energy: -111.883
bonds (distance) P-C4' energy: -122.924
flat angles C4'-P-C4' energy: -116.675
flat angles P-C4'-P energy: -97.889
tors. eta vs tors. theta energy: -145.025
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: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2872.573135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.573135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.540298 (E_RNA)
where:
Base-Base interactions energy: -1987.410
where: short stacking energy: -833.289
Base-Backbone interact. energy: -0.570
local terms energy: -885.560543
where:
bonds (distance) C4'-P energy: -167.706
bonds (distance) P-C4' energy: -163.486
flat angles C4'-P-C4' energy: -182.863
flat angles P-C4'-P energy: -129.198
tors. eta vs tors. theta energy: -242.308
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2772.406409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.406409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.380841 (E_RNA)
where:
Base-Base interactions energy: -1899.732
where: short stacking energy: -800.555
Base-Backbone interact. energy: 5.548
local terms energy: -880.197000
where:
bonds (distance) C4'-P energy: -164.630
bonds (distance) P-C4' energy: -173.232
flat angles C4'-P-C4' energy: -178.436
flat angles P-C4'-P energy: -127.867
tors. eta vs tors. theta energy: -236.033
Dist. restrs. and SS energy: 1.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2529.187711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.187711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.456294 (E_RNA)
where:
Base-Base interactions energy: -1710.798
where: short stacking energy: -739.636
Base-Backbone interact. energy: -3.973
local terms energy: -816.685632
where:
bonds (distance) C4'-P energy: -151.067
bonds (distance) P-C4' energy: -160.219
flat angles C4'-P-C4' energy: -175.888
flat angles P-C4'-P energy: -118.321
tors. eta vs tors. theta energy: -211.191
Dist. restrs. and SS energy: 2.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2519.480991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.480991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.213125 (E_RNA)
where:
Base-Base interactions energy: -1710.969
where: short stacking energy: -728.241
Base-Backbone interact. energy: -1.699
local terms energy: -807.545529
where:
bonds (distance) C4'-P energy: -155.466
bonds (distance) P-C4' energy: -150.948
flat angles C4'-P-C4' energy: -163.267
flat angles P-C4'-P energy: -132.150
tors. eta vs tors. theta energy: -205.715
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2318.070033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.070033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.399093 (E_RNA)
where:
Base-Base interactions energy: -1570.736
where: short stacking energy: -680.017
Base-Backbone interact. energy: -1.254
local terms energy: -748.409815
where:
bonds (distance) C4'-P energy: -127.455
bonds (distance) P-C4' energy: -135.419
flat angles C4'-P-C4' energy: -171.806
flat angles P-C4'-P energy: -113.762
tors. eta vs tors. theta energy: -199.967
Dist. restrs. and SS energy: 2.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2166.710679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.710679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.397887 (E_RNA)
where:
Base-Base interactions energy: -1471.361
where: short stacking energy: -634.935
Base-Backbone interact. energy: 2.101
local terms energy: -699.138091
where:
bonds (distance) C4'-P energy: -147.769
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -152.339
flat angles P-C4'-P energy: -97.066
tors. eta vs tors. theta energy: -164.520
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2094.479766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.479766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.820441 (E_RNA)
where:
Base-Base interactions energy: -1395.602
where: short stacking energy: -607.127
Base-Backbone interact. energy: -2.204
local terms energy: -700.014742
where:
bonds (distance) C4'-P energy: -133.287
bonds (distance) P-C4' energy: -143.706
flat angles C4'-P-C4' energy: -162.768
flat angles P-C4'-P energy: -98.038
tors. eta vs tors. theta energy: -162.216
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2024.075648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.075648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.050637 (E_RNA)
where:
Base-Base interactions energy: -1359.427
where: short stacking energy: -568.923
Base-Backbone interact. energy: -1.627
local terms energy: -665.996683
where:
bonds (distance) C4'-P energy: -124.029
bonds (distance) P-C4' energy: -156.412
flat angles C4'-P-C4' energy: -154.338
flat angles P-C4'-P energy: -86.356
tors. eta vs tors. theta energy: -144.863
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: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1956.917383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.917383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.131524 (E_RNA)
where:
Base-Base interactions energy: -1302.013
where: short stacking energy: -561.240
Base-Backbone interact. energy: -0.280
local terms energy: -657.838708
where:
bonds (distance) C4'-P energy: -121.711
bonds (distance) P-C4' energy: -157.083
flat angles C4'-P-C4' energy: -143.341
flat angles P-C4'-P energy: -79.778
tors. eta vs tors. theta energy: -155.926
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: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1866.315276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.315276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.340081 (E_RNA)
where:
Base-Base interactions energy: -1231.267
where: short stacking energy: -526.883
Base-Backbone interact. energy: -1.114
local terms energy: -637.958673
where:
bonds (distance) C4'-P energy: -130.839
bonds (distance) P-C4' energy: -132.870
flat angles C4'-P-C4' energy: -143.606
flat angles P-C4'-P energy: -108.159
tors. eta vs tors. theta energy: -122.485
Dist. restrs. and SS energy: 4.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2861.230719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.230719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.168211 (E_RNA)
where:
Base-Base interactions energy: -1999.425
where: short stacking energy: -816.976
Base-Backbone interact. energy: -1.889
local terms energy: -860.853643
where:
bonds (distance) C4'-P energy: -152.144
bonds (distance) P-C4' energy: -157.483
flat angles C4'-P-C4' energy: -180.645
flat angles P-C4'-P energy: -129.368
tors. eta vs tors. theta energy: -241.213
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: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2736.129071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.129071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.038413 (E_RNA)
where:
Base-Base interactions energy: -1905.371
where: short stacking energy: -812.854
Base-Backbone interact. energy: -2.770
local terms energy: -830.897711
where:
bonds (distance) C4'-P energy: -157.726
bonds (distance) P-C4' energy: -147.038
flat angles C4'-P-C4' energy: -177.766
flat angles P-C4'-P energy: -111.036
tors. eta vs tors. theta energy: -237.332
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: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2635.252317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.252317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.250634 (E_RNA)
where:
Base-Base interactions energy: -1835.735
where: short stacking energy: -766.038
Base-Backbone interact. energy: -2.554
local terms energy: -798.962471
where:
bonds (distance) C4'-P energy: -151.576
bonds (distance) P-C4' energy: -152.837
flat angles C4'-P-C4' energy: -185.242
flat angles P-C4'-P energy: -98.841
tors. eta vs tors. theta energy: -210.466
Dist. restrs. and SS energy: 1.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2489.491305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.491305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.502299 (E_RNA)
where:
Base-Base interactions energy: -1679.105
where: short stacking energy: -714.941
Base-Backbone interact. energy: 0.589
local terms energy: -812.986106
where:
bonds (distance) C4'-P energy: -151.743
bonds (distance) P-C4' energy: -167.804
flat angles C4'-P-C4' energy: -168.238
flat angles P-C4'-P energy: -120.610
tors. eta vs tors. theta energy: -204.591
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: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2319.278339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.278339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.582925 (E_RNA)
where:
Base-Base interactions energy: -1568.894
where: short stacking energy: -650.074
Base-Backbone interact. energy: -0.331
local terms energy: -753.357824
where:
bonds (distance) C4'-P energy: -134.951
bonds (distance) P-C4' energy: -161.202
flat angles C4'-P-C4' energy: -169.391
flat angles P-C4'-P energy: -101.509
tors. eta vs tors. theta energy: -186.304
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2166.982595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.982595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.829067 (E_RNA)
where:
Base-Base interactions energy: -1442.848
where: short stacking energy: -638.901
Base-Backbone interact. energy: 0.389
local terms energy: -726.369951
where:
bonds (distance) C4'-P energy: -146.394
bonds (distance) P-C4' energy: -132.275
flat angles C4'-P-C4' energy: -160.165
flat angles P-C4'-P energy: -103.315
tors. eta vs tors. theta energy: -184.220
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2092.764731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.764731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.386306 (E_RNA)
where:
Base-Base interactions energy: -1392.351
where: short stacking energy: -593.378
Base-Backbone interact. energy: -3.791
local terms energy: -699.244863
where:
bonds (distance) C4'-P energy: -123.439
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -154.840
flat angles P-C4'-P energy: -104.600
tors. eta vs tors. theta energy: -170.122
Dist. restrs. and SS energy: 2.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2017.965847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.965847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.152992 (E_RNA)
where:
Base-Base interactions energy: -1363.258
where: short stacking energy: -598.332
Base-Backbone interact. energy: 0.018
local terms energy: -657.912733
where:
bonds (distance) C4'-P energy: -139.651
bonds (distance) P-C4' energy: -111.988
flat angles C4'-P-C4' energy: -156.179
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -158.892
Dist. restrs. and SS energy: 3.187 (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: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1919.529894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.529894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.353403 (E_RNA)
where:
Base-Base interactions energy: -1304.097
where: short stacking energy: -542.454
Base-Backbone interact. energy: -0.528
local terms energy: -617.729322
where:
bonds (distance) C4'-P energy: -121.519
bonds (distance) P-C4' energy: -138.565
flat angles C4'-P-C4' energy: -142.148
flat angles P-C4'-P energy: -87.917
tors. eta vs tors. theta energy: -127.580
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: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1859.170630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.170630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.655109 (E_RNA)
where:
Base-Base interactions energy: -1261.482
where: short stacking energy: -523.646
Base-Backbone interact. energy: -2.685
local terms energy: -598.487723
where:
bonds (distance) C4'-P energy: -116.637
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -153.718
flat angles P-C4'-P energy: -73.533
tors. eta vs tors. theta energy: -125.160
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2848.084239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.084239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.415785 (E_RNA)
where:
Base-Base interactions energy: -1962.012
where: short stacking energy: -811.944
Base-Backbone interact. energy: -0.044
local terms energy: -887.360342
where:
bonds (distance) C4'-P energy: -163.198
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -189.200
flat angles P-C4'-P energy: -137.092
tors. eta vs tors. theta energy: -242.291
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: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2741.301437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.301437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.012390 (E_RNA)
where:
Base-Base interactions energy: -1882.633
where: short stacking energy: -781.620
Base-Backbone interact. energy: -3.811
local terms energy: -855.568270
where:
bonds (distance) C4'-P energy: -161.243
bonds (distance) P-C4' energy: -160.074
flat angles C4'-P-C4' energy: -178.017
flat angles P-C4'-P energy: -131.297
tors. eta vs tors. theta energy: -224.937
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: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2631.077585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.077585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.939093 (E_RNA)
where:
Base-Base interactions energy: -1827.434
where: short stacking energy: -736.900
Base-Backbone interact. energy: -6.786
local terms energy: -798.719376
where:
bonds (distance) C4'-P energy: -142.472
bonds (distance) P-C4' energy: -158.342
flat angles C4'-P-C4' energy: -175.803
flat angles P-C4'-P energy: -114.551
tors. eta vs tors. theta energy: -207.551
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2436.400588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.400588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.727296 (E_RNA)
where:
Base-Base interactions energy: -1640.408
where: short stacking energy: -734.374
Base-Backbone interact. energy: -2.474
local terms energy: -795.845030
where:
bonds (distance) C4'-P energy: -148.523
bonds (distance) P-C4' energy: -154.042
flat angles C4'-P-C4' energy: -171.662
flat angles P-C4'-P energy: -117.048
tors. eta vs tors. theta energy: -204.571
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2309.920108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.920108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.442641 (E_RNA)
where:
Base-Base interactions energy: -1612.536
where: short stacking energy: -667.539
Base-Backbone interact. energy: 7.366
local terms energy: -708.272779
where:
bonds (distance) C4'-P energy: -142.796
bonds (distance) P-C4' energy: -132.348
flat angles C4'-P-C4' energy: -160.899
flat angles P-C4'-P energy: -91.558
tors. eta vs tors. theta energy: -180.671
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2172.225108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.225108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.169691 (E_RNA)
where:
Base-Base interactions energy: -1473.704
where: short stacking energy: -648.808
Base-Backbone interact. energy: 2.620
local terms energy: -703.085551
where:
bonds (distance) C4'-P energy: -119.010
bonds (distance) P-C4' energy: -155.623
flat angles C4'-P-C4' energy: -164.424
flat angles P-C4'-P energy: -89.973
tors. eta vs tors. theta energy: -174.056
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: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2073.159998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.159998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.602461 (E_RNA)
where:
Base-Base interactions energy: -1388.941
where: short stacking energy: -597.082
Base-Backbone interact. energy: -0.219
local terms energy: -686.441744
where:
bonds (distance) C4'-P energy: -135.620
bonds (distance) P-C4' energy: -149.324
flat angles C4'-P-C4' energy: -139.062
flat angles P-C4'-P energy: -104.597
tors. eta vs tors. theta energy: -157.839
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: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2000.364764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.364764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.566323 (E_RNA)
where:
Base-Base interactions energy: -1352.684
where: short stacking energy: -567.866
Base-Backbone interact. energy: 4.375
local terms energy: -656.257418
where:
bonds (distance) C4'-P energy: -112.804
bonds (distance) P-C4' energy: -148.434
flat angles C4'-P-C4' energy: -153.932
flat angles P-C4'-P energy: -88.417
tors. eta vs tors. theta energy: -152.670
Dist. restrs. and SS energy: 4.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1895.312888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.312888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.109228 (E_RNA)
where:
Base-Base interactions energy: -1296.145
where: short stacking energy: -535.875
Base-Backbone interact. energy: 3.983
local terms energy: -606.946537
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -138.727
flat angles P-C4'-P energy: -93.765
tors. eta vs tors. theta energy: -142.590
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: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1860.824335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.824335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.009294 (E_RNA)
where:
Base-Base interactions energy: -1300.289
where: short stacking energy: -529.165
Base-Backbone interact. energy: 0.896
local terms energy: -563.616191
where:
bonds (distance) C4'-P energy: -131.944
bonds (distance) P-C4' energy: -113.814
flat angles C4'-P-C4' energy: -110.909
flat angles P-C4'-P energy: -83.320
tors. eta vs tors. theta energy: -123.629
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: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2891.669649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.669649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.158022 (E_RNA)
where:
Base-Base interactions energy: -1985.240
where: short stacking energy: -827.801
Base-Backbone interact. energy: -3.215
local terms energy: -904.702735
where:
bonds (distance) C4'-P energy: -166.444
bonds (distance) P-C4' energy: -163.763
flat angles C4'-P-C4' energy: -193.714
flat angles P-C4'-P energy: -129.605
tors. eta vs tors. theta energy: -251.177
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2792.251914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.251914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.131629 (E_RNA)
where:
Base-Base interactions energy: -1915.242
where: short stacking energy: -821.264
Base-Backbone interact. energy: 5.902
local terms energy: -883.791859
where:
bonds (distance) C4'-P energy: -145.944
bonds (distance) P-C4' energy: -162.422
flat angles C4'-P-C4' energy: -196.546
flat angles P-C4'-P energy: -137.492
tors. eta vs tors. theta energy: -241.388
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2613.238765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.238765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.025286 (E_RNA)
where:
Base-Base interactions energy: -1786.402
where: short stacking energy: -754.978
Base-Backbone interact. energy: -4.208
local terms energy: -825.415232
where:
bonds (distance) C4'-P energy: -145.723
bonds (distance) P-C4' energy: -160.647
flat angles C4'-P-C4' energy: -182.446
flat angles P-C4'-P energy: -120.591
tors. eta vs tors. theta energy: -216.009
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2446.801685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.801685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.574943 (E_RNA)
where:
Base-Base interactions energy: -1688.698
where: short stacking energy: -730.097
Base-Backbone interact. energy: -2.176
local terms energy: -758.699957
where:
bonds (distance) C4'-P energy: -129.748
bonds (distance) P-C4' energy: -135.204
flat angles C4'-P-C4' energy: -157.401
flat angles P-C4'-P energy: -121.693
tors. eta vs tors. theta energy: -214.654
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2301.669839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.669839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.749344 (E_RNA)
where:
Base-Base interactions energy: -1574.700
where: short stacking energy: -679.071
Base-Backbone interact. energy: -2.770
local terms energy: -727.278971
where:
bonds (distance) C4'-P energy: -140.415
bonds (distance) P-C4' energy: -134.386
flat angles C4'-P-C4' energy: -165.676
flat angles P-C4'-P energy: -93.538
tors. eta vs tors. theta energy: -193.263
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2190.635988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.635988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.801528 (E_RNA)
where:
Base-Base interactions energy: -1502.388
where: short stacking energy: -639.257
Base-Backbone interact. energy: -2.116
local terms energy: -687.297818
where:
bonds (distance) C4'-P energy: -144.639
bonds (distance) P-C4' energy: -139.366
flat angles C4'-P-C4' energy: -149.848
flat angles P-C4'-P energy: -79.857
tors. eta vs tors. theta energy: -173.589
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: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2111.086596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.086596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.200429 (E_RNA)
where:
Base-Base interactions energy: -1449.532
where: short stacking energy: -617.491
Base-Backbone interact. energy: -0.504
local terms energy: -663.164262
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -128.997
flat angles C4'-P-C4' energy: -125.221
flat angles P-C4'-P energy: -88.317
tors. eta vs tors. theta energy: -176.965
Dist. restrs. and SS energy: 2.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2013.636369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.636369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.378086 (E_RNA)
where:
Base-Base interactions energy: -1379.187
where: short stacking energy: -606.579
Base-Backbone interact. energy: 6.303
local terms energy: -643.493959
where:
bonds (distance) C4'-P energy: -131.036
bonds (distance) P-C4' energy: -126.612
flat angles C4'-P-C4' energy: -149.825
flat angles P-C4'-P energy: -83.639
tors. eta vs tors. theta energy: -152.383
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: 246
Temperature: 1.300000
Total energy: -1969.017559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.017559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.701698 (E_RNA)
where:
Base-Base interactions energy: -1311.535
where: short stacking energy: -557.084
Base-Backbone interact. energy: 4.397
local terms energy: -664.563846
where:
bonds (distance) C4'-P energy: -139.074
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -130.081
flat angles P-C4'-P energy: -94.231
tors. eta vs tors. theta energy: -156.904
Dist. restrs. and SS energy: 2.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1872.942299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.942299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.837221 (E_RNA)
where:
Base-Base interactions energy: -1283.082
where: short stacking energy: -548.748
Base-Backbone interact. energy: 1.578
local terms energy: -594.332885
where:
bonds (distance) C4'-P energy: -124.731
bonds (distance) P-C4' energy: -124.576
flat angles C4'-P-C4' energy: -145.677
flat angles P-C4'-P energy: -76.246
tors. eta vs tors. theta energy: -123.103
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: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2869.539577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.539577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.800689 (E_RNA)
where:
Base-Base interactions energy: -2013.426
where: short stacking energy: -817.747
Base-Backbone interact. energy: -2.952
local terms energy: -854.422569
where:
bonds (distance) C4'-P energy: -141.318
bonds (distance) P-C4' energy: -156.520
flat angles C4'-P-C4' energy: -182.849
flat angles P-C4'-P energy: -129.746
tors. eta vs tors. theta energy: -243.990
Dist. restrs. and SS energy: 1.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2782.425923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.425923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.373637 (E_RNA)
where:
Base-Base interactions energy: -1915.550
where: short stacking energy: -792.611
Base-Backbone interact. energy: 0.041
local terms energy: -868.865087
where:
bonds (distance) C4'-P energy: -161.724
bonds (distance) P-C4' energy: -160.588
flat angles C4'-P-C4' energy: -183.090
flat angles P-C4'-P energy: -120.285
tors. eta vs tors. theta energy: -243.177
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2609.482413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.482413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.810011 (E_RNA)
where:
Base-Base interactions energy: -1794.843
where: short stacking energy: -775.736
Base-Backbone interact. energy: 5.396
local terms energy: -821.362709
where:
bonds (distance) C4'-P energy: -149.697
bonds (distance) P-C4' energy: -146.689
flat angles C4'-P-C4' energy: -188.689
flat angles P-C4'-P energy: -122.425
tors. eta vs tors. theta energy: -213.861
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2463.136857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.136857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.395557 (E_RNA)
where:
Base-Base interactions energy: -1674.103
where: short stacking energy: -713.017
Base-Backbone interact. energy: -2.049
local terms energy: -789.242840
where:
bonds (distance) C4'-P energy: -145.113
bonds (distance) P-C4' energy: -154.159
flat angles C4'-P-C4' energy: -175.111
flat angles P-C4'-P energy: -114.150
tors. eta vs tors. theta energy: -200.710
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2332.569576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.569576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.886945 (E_RNA)
where:
Base-Base interactions energy: -1573.461
where: short stacking energy: -687.645
Base-Backbone interact. energy: -2.856
local terms energy: -759.570228
where:
bonds (distance) C4'-P energy: -145.240
bonds (distance) P-C4' energy: -159.724
flat angles C4'-P-C4' energy: -157.052
flat angles P-C4'-P energy: -99.708
tors. eta vs tors. theta energy: -197.847
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2216.234904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.234904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.330817 (E_RNA)
where:
Base-Base interactions energy: -1497.785
where: short stacking energy: -668.524
Base-Backbone interact. energy: -2.611
local terms energy: -717.934198
where:
bonds (distance) C4'-P energy: -127.642
bonds (distance) P-C4' energy: -149.106
flat angles C4'-P-C4' energy: -152.706
flat angles P-C4'-P energy: -115.398
tors. eta vs tors. theta energy: -173.082
Dist. restrs. and SS energy: 2.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2079.456682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.456682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.568960 (E_RNA)
where:
Base-Base interactions energy: -1393.812
where: short stacking energy: -622.490
Base-Backbone interact. energy: -2.927
local terms energy: -685.830438
where:
bonds (distance) C4'-P energy: -126.428
bonds (distance) P-C4' energy: -139.653
flat angles C4'-P-C4' energy: -162.927
flat angles P-C4'-P energy: -89.674
tors. eta vs tors. theta energy: -167.149
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2006.485329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.485329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.274590 (E_RNA)
where:
Base-Base interactions energy: -1365.927
where: short stacking energy: -581.404
Base-Backbone interact. energy: 5.029
local terms energy: -648.376972
where:
bonds (distance) C4'-P energy: -129.187
bonds (distance) P-C4' energy: -134.835
flat angles C4'-P-C4' energy: -150.211
flat angles P-C4'-P energy: -76.194
tors. eta vs tors. theta energy: -157.950
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1971.735373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.735373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.784462 (E_RNA)
where:
Base-Base interactions energy: -1335.357
where: short stacking energy: -562.542
Base-Backbone interact. energy: 3.749
local terms energy: -644.176051
where:
bonds (distance) C4'-P energy: -123.089
bonds (distance) P-C4' energy: -137.152
flat angles C4'-P-C4' energy: -154.386
flat angles P-C4'-P energy: -89.429
tors. eta vs tors. theta energy: -140.121
Dist. restrs. and SS energy: 4.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1906.160289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.160289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.383329 (E_RNA)
where:
Base-Base interactions energy: -1318.796
where: short stacking energy: -549.024
Base-Backbone interact. energy: -0.649
local terms energy: -588.938820
where:
bonds (distance) C4'-P energy: -121.054
bonds (distance) P-C4' energy: -119.403
flat angles C4'-P-C4' energy: -137.010
flat angles P-C4'-P energy: -85.276
tors. eta vs tors. theta energy: -126.197
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2866.409957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.409957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.746429 (E_RNA)
where:
Base-Base interactions energy: -1993.383
where: short stacking energy: -853.798
Base-Backbone interact. energy: -2.553
local terms energy: -871.809607
where:
bonds (distance) C4'-P energy: -157.333
bonds (distance) P-C4' energy: -145.146
flat angles C4'-P-C4' energy: -195.072
flat angles P-C4'-P energy: -124.023
tors. eta vs tors. theta energy: -250.235
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: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2765.098675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.098675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.402203 (E_RNA)
where:
Base-Base interactions energy: -1879.908
where: short stacking energy: -820.983
Base-Backbone interact. energy: -0.927
local terms energy: -885.566567
where:
bonds (distance) C4'-P energy: -182.666
bonds (distance) P-C4' energy: -149.133
flat angles C4'-P-C4' energy: -184.955
flat angles P-C4'-P energy: -124.598
tors. eta vs tors. theta energy: -244.215
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: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2572.424673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.424673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.408552 (E_RNA)
where:
Base-Base interactions energy: -1791.053
where: short stacking energy: -766.763
Base-Backbone interact. energy: -1.654
local terms energy: -780.701145
where:
bonds (distance) C4'-P energy: -145.384
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -174.617
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -217.362
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: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2434.432871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.432871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.432354 (E_RNA)
where:
Base-Base interactions energy: -1659.874
where: short stacking energy: -712.001
Base-Backbone interact. energy: 2.804
local terms energy: -779.362061
where:
bonds (distance) C4'-P energy: -141.464
bonds (distance) P-C4' energy: -156.629
flat angles C4'-P-C4' energy: -171.492
flat angles P-C4'-P energy: -104.672
tors. eta vs tors. theta energy: -205.105
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: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2311.652155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.652155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.226446 (E_RNA)
where:
Base-Base interactions energy: -1570.746
where: short stacking energy: -683.112
Base-Backbone interact. energy: -2.081
local terms energy: -740.399550
where:
bonds (distance) C4'-P energy: -148.782
bonds (distance) P-C4' energy: -139.951
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -85.382
tors. eta vs tors. theta energy: -205.700
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: 248
Temperature: 1.150000
Total energy: -2168.216647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.216647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.972458 (E_RNA)
where:
Base-Base interactions energy: -1480.382
where: short stacking energy: -639.104
Base-Backbone interact. energy: -3.507
local terms energy: -686.083394
where:
bonds (distance) C4'-P energy: -130.216
bonds (distance) P-C4' energy: -121.734
flat angles C4'-P-C4' energy: -161.153
flat angles P-C4'-P energy: -93.949
tors. eta vs tors. theta energy: -179.032
Dist. restrs. and SS energy: 1.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2083.755235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.755235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.467187 (E_RNA)
where:
Base-Base interactions energy: -1428.854
where: short stacking energy: -625.913
Base-Backbone interact. energy: -0.148
local terms energy: -656.465010
where:
bonds (distance) C4'-P energy: -129.998
bonds (distance) P-C4' energy: -115.703
flat angles C4'-P-C4' energy: -145.913
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -177.743
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: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2008.417421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.417421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.183626 (E_RNA)
where:
Base-Base interactions energy: -1355.308
where: short stacking energy: -572.859
Base-Backbone interact. energy: 0.689
local terms energy: -657.564189
where:
bonds (distance) C4'-P energy: -137.541
bonds (distance) P-C4' energy: -150.940
flat angles C4'-P-C4' energy: -148.225
flat angles P-C4'-P energy: -61.071
tors. eta vs tors. theta energy: -159.787
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: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1925.924641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.924641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.710623 (E_RNA)
where:
Base-Base interactions energy: -1336.687
where: short stacking energy: -557.260
Base-Backbone interact. energy: 2.892
local terms energy: -593.915403
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -113.437
flat angles C4'-P-C4' energy: -136.597
flat angles P-C4'-P energy: -90.198
tors. eta vs tors. theta energy: -135.242
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1867.817788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.817788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.295695 (E_RNA)
where:
Base-Base interactions energy: -1310.493
where: short stacking energy: -548.734
Base-Backbone interact. energy: -4.147
local terms energy: -562.656039
where:
bonds (distance) C4'-P energy: -111.708
bonds (distance) P-C4' energy: -130.612
flat angles C4'-P-C4' energy: -123.283
flat angles P-C4'-P energy: -69.519
tors. eta vs tors. theta energy: -127.534
Dist. restrs. and SS energy: 9.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2856.654182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.654182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.880109 (E_RNA)
where:
Base-Base interactions energy: -1969.305
where: short stacking energy: -805.156
Base-Backbone interact. energy: -3.145
local terms energy: -886.430136
where:
bonds (distance) C4'-P energy: -154.194
bonds (distance) P-C4' energy: -169.912
flat angles C4'-P-C4' energy: -196.052
flat angles P-C4'-P energy: -123.213
tors. eta vs tors. theta energy: -243.059
Dist. restrs. and SS energy: 2.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2766.077279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.077279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.976590 (E_RNA)
where:
Base-Base interactions energy: -1881.098
where: short stacking energy: -809.121
Base-Backbone interact. energy: -2.474
local terms energy: -883.404213
where:
bonds (distance) C4'-P energy: -173.036
bonds (distance) P-C4' energy: -173.406
flat angles C4'-P-C4' energy: -184.585
flat angles P-C4'-P energy: -118.540
tors. eta vs tors. theta energy: -233.837
Dist. restrs. and SS energy: 0.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2584.917155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.917155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.674746 (E_RNA)
where:
Base-Base interactions energy: -1808.484
where: short stacking energy: -777.317
Base-Backbone interact. energy: -0.587
local terms energy: -777.603952
where:
bonds (distance) C4'-P energy: -146.577
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -180.830
flat angles P-C4'-P energy: -100.377
tors. eta vs tors. theta energy: -204.702
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: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2528.040762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.191160 (E_RNA)
where:
Base-Base interactions energy: -1750.614
where: short stacking energy: -737.423
Base-Backbone interact. energy: 2.665
local terms energy: -783.241780
where:
bonds (distance) C4'-P energy: -150.730
bonds (distance) P-C4' energy: -142.397
flat angles C4'-P-C4' energy: -167.127
flat angles P-C4'-P energy: -114.973
tors. eta vs tors. theta energy: -208.013
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: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2299.644753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.644753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.889046 (E_RNA)
where:
Base-Base interactions energy: -1559.716
where: short stacking energy: -641.932
Base-Backbone interact. energy: -1.907
local terms energy: -740.265478
where:
bonds (distance) C4'-P energy: -140.651
bonds (distance) P-C4' energy: -143.155
flat angles C4'-P-C4' energy: -172.391
flat angles P-C4'-P energy: -100.609
tors. eta vs tors. theta energy: -183.459
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2222.255637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.255637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.186858 (E_RNA)
where:
Base-Base interactions energy: -1486.283
where: short stacking energy: -652.641
Base-Backbone interact. energy: -1.447
local terms energy: -738.456819
where:
bonds (distance) C4'-P energy: -140.017
bonds (distance) P-C4' energy: -140.951
flat angles C4'-P-C4' energy: -166.829
flat angles P-C4'-P energy: -112.576
tors. eta vs tors. theta energy: -178.085
Dist. restrs. and SS energy: 3.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2124.016665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.016665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.443904 (E_RNA)
where:
Base-Base interactions energy: -1440.104
where: short stacking energy: -630.082
Base-Backbone interact. energy: 5.650
local terms energy: -692.990390
where:
bonds (distance) C4'-P energy: -124.060
bonds (distance) P-C4' energy: -139.989
flat angles C4'-P-C4' energy: -159.739
flat angles P-C4'-P energy: -85.341
tors. eta vs tors. theta energy: -183.861
Dist. restrs. and SS energy: 3.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2052.880307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.880307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.606390 (E_RNA)
where:
Base-Base interactions energy: -1368.378
where: short stacking energy: -564.193
Base-Backbone interact. energy: 0.844
local terms energy: -688.072177
where:
bonds (distance) C4'-P energy: -146.444
bonds (distance) P-C4' energy: -147.803
flat angles C4'-P-C4' energy: -142.850
flat angles P-C4'-P energy: -104.621
tors. eta vs tors. theta energy: -146.355
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: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1919.930158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.930158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.358780 (E_RNA)
where:
Base-Base interactions energy: -1325.702
where: short stacking energy: -546.169
Base-Backbone interact. energy: 2.456
local terms energy: -599.112751
where:
bonds (distance) C4'-P energy: -129.543
bonds (distance) P-C4' energy: -139.631
flat angles C4'-P-C4' energy: -135.627
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -130.303
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: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1870.277200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.277200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.519032 (E_RNA)
where:
Base-Base interactions energy: -1254.438
where: short stacking energy: -520.689
Base-Backbone interact. energy: 2.081
local terms energy: -621.162148
where:
bonds (distance) C4'-P energy: -160.844
bonds (distance) P-C4' energy: -126.882
flat angles C4'-P-C4' energy: -121.014
flat angles P-C4'-P energy: -77.599
tors. eta vs tors. theta energy: -134.824
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2845.374251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.374251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.987512 (E_RNA)
where:
Base-Base interactions energy: -1973.140
where: short stacking energy: -820.725
Base-Backbone interact. energy: -2.475
local terms energy: -871.372083
where:
bonds (distance) C4'-P energy: -173.671
bonds (distance) P-C4' energy: -160.780
flat angles C4'-P-C4' energy: -176.053
flat angles P-C4'-P energy: -131.760
tors. eta vs tors. theta energy: -229.108
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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2773.773963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.773963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.818257 (E_RNA)
where:
Base-Base interactions energy: -1937.272
where: short stacking energy: -834.746
Base-Backbone interact. energy: -2.469
local terms energy: -836.076885
where:
bonds (distance) C4'-P energy: -142.485
bonds (distance) P-C4' energy: -153.702
flat angles C4'-P-C4' energy: -182.874
flat angles P-C4'-P energy: -114.502
tors. eta vs tors. theta energy: -242.514
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: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2592.898006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.898006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.395600 (E_RNA)
where:
Base-Base interactions energy: -1798.087
where: short stacking energy: -733.980
Base-Backbone interact. energy: -5.418
local terms energy: -790.890734
where:
bonds (distance) C4'-P energy: -143.294
bonds (distance) P-C4' energy: -156.956
flat angles C4'-P-C4' energy: -160.334
flat angles P-C4'-P energy: -122.382
tors. eta vs tors. theta energy: -207.923
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: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2484.813923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.813923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.966272 (E_RNA)
where:
Base-Base interactions energy: -1740.339
where: short stacking energy: -733.538
Base-Backbone interact. energy: -3.594
local terms energy: -743.033191
where:
bonds (distance) C4'-P energy: -137.751
bonds (distance) P-C4' energy: -146.398
flat angles C4'-P-C4' energy: -154.209
flat angles P-C4'-P energy: -94.776
tors. eta vs tors. theta energy: -209.899
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2312.803909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.803909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.288875 (E_RNA)
where:
Base-Base interactions energy: -1592.183
where: short stacking energy: -685.793
Base-Backbone interact. energy: -2.052
local terms energy: -722.054372
where:
bonds (distance) C4'-P energy: -141.580
bonds (distance) P-C4' energy: -165.613
flat angles C4'-P-C4' energy: -151.475
flat angles P-C4'-P energy: -90.282
tors. eta vs tors. theta energy: -173.105
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: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2167.002356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.002356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.907866 (E_RNA)
where:
Base-Base interactions energy: -1459.158
where: short stacking energy: -619.368
Base-Backbone interact. energy: 1.147
local terms energy: -710.897109
where:
bonds (distance) C4'-P energy: -137.311
bonds (distance) P-C4' energy: -131.919
flat angles C4'-P-C4' energy: -161.781
flat angles P-C4'-P energy: -95.163
tors. eta vs tors. theta energy: -184.722
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: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2047.554802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.554802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.134148 (E_RNA)
where:
Base-Base interactions energy: -1369.109
where: short stacking energy: -571.435
Base-Backbone interact. energy: -2.691
local terms energy: -678.333394
where:
bonds (distance) C4'-P energy: -127.022
bonds (distance) P-C4' energy: -147.728
flat angles C4'-P-C4' energy: -148.607
flat angles P-C4'-P energy: -93.512
tors. eta vs tors. theta energy: -161.464
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2118.722985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.722985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.117213 (E_RNA)
where:
Base-Base interactions energy: -1433.934
where: short stacking energy: -626.309
Base-Backbone interact. energy: 7.234
local terms energy: -694.416503
where:
bonds (distance) C4'-P energy: -143.344
bonds (distance) P-C4' energy: -129.163
flat angles C4'-P-C4' energy: -143.913
flat angles P-C4'-P energy: -98.961
tors. eta vs tors. theta energy: -179.036
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: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1972.065765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.065765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.531814 (E_RNA)
where:
Base-Base interactions energy: -1331.316
where: short stacking energy: -558.692
Base-Backbone interact. energy: -1.546
local terms energy: -642.670321
where:
bonds (distance) C4'-P energy: -124.591
bonds (distance) P-C4' energy: -129.496
flat angles C4'-P-C4' energy: -146.498
flat angles P-C4'-P energy: -103.004
tors. eta vs tors. theta energy: -139.081
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1845.900364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.900364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.948726 (E_RNA)
where:
Base-Base interactions energy: -1245.555
where: short stacking energy: -537.345
Base-Backbone interact. energy: 4.763
local terms energy: -610.156040
where:
bonds (distance) C4'-P energy: -136.611
bonds (distance) P-C4' energy: -113.294
flat angles C4'-P-C4' energy: -124.696
flat angles P-C4'-P energy: -84.384
tors. eta vs tors. theta energy: -151.171
Dist. restrs. and SS energy: 5.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2818.063656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.063656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.924083 (E_RNA)
where:
Base-Base interactions energy: -1948.657
where: short stacking energy: -817.607
Base-Backbone interact. energy: -3.864
local terms energy: -867.402807
where:
bonds (distance) C4'-P energy: -159.881
bonds (distance) P-C4' energy: -155.902
flat angles C4'-P-C4' energy: -180.104
flat angles P-C4'-P energy: -124.884
tors. eta vs tors. theta energy: -246.632
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: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2765.539757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.539757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.623161 (E_RNA)
where:
Base-Base interactions energy: -1919.856
where: short stacking energy: -828.575
Base-Backbone interact. energy: -4.338
local terms energy: -843.428944
where:
bonds (distance) C4'-P energy: -150.535
bonds (distance) P-C4' energy: -151.323
flat angles C4'-P-C4' energy: -177.365
flat angles P-C4'-P energy: -122.840
tors. eta vs tors. theta energy: -241.367
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: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2636.650050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.650050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.916081 (E_RNA)
where:
Base-Base interactions energy: -1820.455
where: short stacking energy: -774.242
Base-Backbone interact. energy: -6.096
local terms energy: -811.364286
where:
bonds (distance) C4'-P energy: -168.591
bonds (distance) P-C4' energy: -140.058
flat angles C4'-P-C4' energy: -181.507
flat angles P-C4'-P energy: -111.497
tors. eta vs tors. theta energy: -209.711
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: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2426.101805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.101805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.299072 (E_RNA)
where:
Base-Base interactions energy: -1640.979
where: short stacking energy: -704.434
Base-Backbone interact. energy: 0.476
local terms energy: -786.796150
where:
bonds (distance) C4'-P energy: -156.672
bonds (distance) P-C4' energy: -160.192
flat angles C4'-P-C4' energy: -166.257
flat angles P-C4'-P energy: -98.231
tors. eta vs tors. theta energy: -205.445
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: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2302.361072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.361072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.551788 (E_RNA)
where:
Base-Base interactions energy: -1562.264
where: short stacking energy: -666.228
Base-Backbone interact. energy: -1.275
local terms energy: -741.012620
where:
bonds (distance) C4'-P energy: -143.419
bonds (distance) P-C4' energy: -152.529
flat angles C4'-P-C4' energy: -167.977
flat angles P-C4'-P energy: -92.718
tors. eta vs tors. theta energy: -184.370
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: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2124.881317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.881317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.045856 (E_RNA)
where:
Base-Base interactions energy: -1434.121
where: short stacking energy: -628.206
Base-Backbone interact. energy: -1.241
local terms energy: -691.683321
where:
bonds (distance) C4'-P energy: -130.540
bonds (distance) P-C4' energy: -138.353
flat angles C4'-P-C4' energy: -163.720
flat angles P-C4'-P energy: -85.074
tors. eta vs tors. theta energy: -173.996
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: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2120.987245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.987245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.564683 (E_RNA)
where:
Base-Base interactions energy: -1425.731
where: short stacking energy: -626.713
Base-Backbone interact. energy: 3.250
local terms energy: -700.083931
where:
bonds (distance) C4'-P energy: -132.158
bonds (distance) P-C4' energy: -136.518
flat angles C4'-P-C4' energy: -156.437
flat angles P-C4'-P energy: -98.234
tors. eta vs tors. theta energy: -176.737
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: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2094.231086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.231086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.322908 (E_RNA)
where:
Base-Base interactions energy: -1435.037
where: short stacking energy: -599.349
Base-Backbone interact. energy: 4.580
local terms energy: -665.865211
where:
bonds (distance) C4'-P energy: -126.890
bonds (distance) P-C4' energy: -156.277
flat angles C4'-P-C4' energy: -147.435
flat angles P-C4'-P energy: -82.712
tors. eta vs tors. theta energy: -152.552
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1876.653337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.653337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.123191 (E_RNA)
where:
Base-Base interactions energy: -1284.673
where: short stacking energy: -520.951
Base-Backbone interact. energy: -4.625
local terms energy: -590.824918
where:
bonds (distance) C4'-P energy: -116.858
bonds (distance) P-C4' energy: -134.926
flat angles C4'-P-C4' energy: -130.373
flat angles P-C4'-P energy: -67.612
tors. eta vs tors. theta energy: -141.055
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1822.442957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.442957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.114143 (E_RNA)
where:
Base-Base interactions energy: -1234.796
where: short stacking energy: -540.093
Base-Backbone interact. energy: 2.608
local terms energy: -596.926480
where:
bonds (distance) C4'-P energy: -113.343
bonds (distance) P-C4' energy: -129.269
flat angles C4'-P-C4' energy: -141.922
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -135.841
Dist. restrs. and SS energy: 6.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2836.979397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.979397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.149028 (E_RNA)
where:
Base-Base interactions energy: -1975.199
where: short stacking energy: -826.288
Base-Backbone interact. energy: -2.921
local terms energy: -860.028626
where:
bonds (distance) C4'-P energy: -165.482
bonds (distance) P-C4' energy: -163.800
flat angles C4'-P-C4' energy: -160.847
flat angles P-C4'-P energy: -117.851
tors. eta vs tors. theta energy: -252.048
Dist. restrs. and SS energy: 1.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2774.574552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.574552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.408059 (E_RNA)
where:
Base-Base interactions energy: -1933.512
where: short stacking energy: -791.615
Base-Backbone interact. energy: -3.632
local terms energy: -839.264100
where:
bonds (distance) C4'-P energy: -157.216
bonds (distance) P-C4' energy: -144.574
flat angles C4'-P-C4' energy: -190.208
flat angles P-C4'-P energy: -118.737
tors. eta vs tors. theta energy: -228.528
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2590.776049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.776049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.852168 (E_RNA)
where:
Base-Base interactions energy: -1790.065
where: short stacking energy: -756.621
Base-Backbone interact. energy: -2.941
local terms energy: -798.846673
where:
bonds (distance) C4'-P energy: -134.522
bonds (distance) P-C4' energy: -159.587
flat angles C4'-P-C4' energy: -179.034
flat angles P-C4'-P energy: -117.326
tors. eta vs tors. theta energy: -208.377
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: 252
Temperature: 1.050000
Total energy: -2441.043999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.043999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.393177 (E_RNA)
where:
Base-Base interactions energy: -1663.678
where: short stacking energy: -707.527
Base-Backbone interact. energy: -1.424
local terms energy: -779.290446
where:
bonds (distance) C4'-P energy: -150.990
bonds (distance) P-C4' energy: -146.185
flat angles C4'-P-C4' energy: -168.199
flat angles P-C4'-P energy: -118.598
tors. eta vs tors. theta energy: -195.318
Dist. restrs. and SS energy: 3.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2338.185318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.185318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.813654 (E_RNA)
where:
Base-Base interactions energy: -1620.870
where: short stacking energy: -663.931
Base-Backbone interact. energy: -1.173
local terms energy: -717.770521
where:
bonds (distance) C4'-P energy: -125.986
bonds (distance) P-C4' energy: -137.305
flat angles C4'-P-C4' energy: -155.531
flat angles P-C4'-P energy: -111.838
tors. eta vs tors. theta energy: -187.109
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2162.521240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.521240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.337505 (E_RNA)
where:
Base-Base interactions energy: -1427.988
where: short stacking energy: -623.168
Base-Backbone interact. energy: -3.180
local terms energy: -733.169034
where:
bonds (distance) C4'-P energy: -145.965
bonds (distance) P-C4' energy: -153.794
flat angles C4'-P-C4' energy: -157.757
flat angles P-C4'-P energy: -103.637
tors. eta vs tors. theta energy: -172.017
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: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2157.877385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.877385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.791355 (E_RNA)
where:
Base-Base interactions energy: -1426.069
where: short stacking energy: -620.276
Base-Backbone interact. energy: 4.745
local terms energy: -738.466606
where:
bonds (distance) C4'-P energy: -142.415
bonds (distance) P-C4' energy: -158.363
flat angles C4'-P-C4' energy: -148.264
flat angles P-C4'-P energy: -118.459
tors. eta vs tors. theta energy: -170.965
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: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2077.723479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.723479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.695704 (E_RNA)
where:
Base-Base interactions energy: -1405.325
where: short stacking energy: -589.932
Base-Backbone interact. energy: 3.317
local terms energy: -678.688290
where:
bonds (distance) C4'-P energy: -124.834
bonds (distance) P-C4' energy: -143.688
flat angles C4'-P-C4' energy: -149.517
flat angles P-C4'-P energy: -97.081
tors. eta vs tors. theta energy: -163.568
Dist. restrs. and SS energy: 2.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1884.267008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.267008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.071195 (E_RNA)
where:
Base-Base interactions energy: -1285.183
where: short stacking energy: -549.742
Base-Backbone interact. energy: 0.355
local terms energy: -601.243674
where:
bonds (distance) C4'-P energy: -110.939
bonds (distance) P-C4' energy: -152.990
flat angles C4'-P-C4' energy: -128.426
flat angles P-C4'-P energy: -70.910
tors. eta vs tors. theta energy: -137.979
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: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1795.982749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.982749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.361190 (E_RNA)
where:
Base-Base interactions energy: -1170.661
where: short stacking energy: -485.356
Base-Backbone interact. energy: 8.954
local terms energy: -640.654605
where:
bonds (distance) C4'-P energy: -146.314
bonds (distance) P-C4' energy: -139.350
flat angles C4'-P-C4' energy: -136.672
flat angles P-C4'-P energy: -91.960
tors. eta vs tors. theta energy: -126.358
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2843.908400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.908400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.779615 (E_RNA)
where:
Base-Base interactions energy: -1967.091
where: short stacking energy: -836.190
Base-Backbone interact. energy: -3.741
local terms energy: -873.946701
where:
bonds (distance) C4'-P energy: -156.372
bonds (distance) P-C4' energy: -168.837
flat angles C4'-P-C4' energy: -182.554
flat angles P-C4'-P energy: -123.974
tors. eta vs tors. theta energy: -242.210
Dist. restrs. and SS energy: 0.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2755.250794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.250794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.628349 (E_RNA)
where:
Base-Base interactions energy: -1910.756
where: short stacking energy: -805.479
Base-Backbone interact. energy: -4.101
local terms energy: -841.771180
where:
bonds (distance) C4'-P energy: -151.343
bonds (distance) P-C4' energy: -162.470
flat angles C4'-P-C4' energy: -176.257
flat angles P-C4'-P energy: -117.282
tors. eta vs tors. theta energy: -234.420
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2591.579520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.579520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.986819 (E_RNA)
where:
Base-Base interactions energy: -1775.804
where: short stacking energy: -748.280
Base-Backbone interact. energy: 0.525
local terms energy: -817.707941
where:
bonds (distance) C4'-P energy: -143.020
bonds (distance) P-C4' energy: -147.204
flat angles C4'-P-C4' energy: -193.177
flat angles P-C4'-P energy: -116.960
tors. eta vs tors. theta energy: -217.348
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: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2488.414856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.414856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.301425 (E_RNA)
where:
Base-Base interactions energy: -1683.363
where: short stacking energy: -739.993
Base-Backbone interact. energy: -3.384
local terms energy: -803.553890
where:
bonds (distance) C4'-P energy: -143.858
bonds (distance) P-C4' energy: -146.590
flat angles C4'-P-C4' energy: -179.944
flat angles P-C4'-P energy: -119.353
tors. eta vs tors. theta energy: -213.808
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: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2290.341740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.341740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.027052 (E_RNA)
where:
Base-Base interactions energy: -1555.333
where: short stacking energy: -676.334
Base-Backbone interact. energy: -0.486
local terms energy: -737.208231
where:
bonds (distance) C4'-P energy: -131.997
bonds (distance) P-C4' energy: -145.184
flat angles C4'-P-C4' energy: -154.773
flat angles P-C4'-P energy: -116.352
tors. eta vs tors. theta energy: -188.903
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: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2177.687602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.687602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.526286 (E_RNA)
where:
Base-Base interactions energy: -1467.374
where: short stacking energy: -658.834
Base-Backbone interact. energy: -0.689
local terms energy: -713.463923
where:
bonds (distance) C4'-P energy: -144.253
bonds (distance) P-C4' energy: -156.141
flat angles C4'-P-C4' energy: -158.622
flat angles P-C4'-P energy: -78.161
tors. eta vs tors. theta energy: -176.287
Dist. restrs. and SS energy: 3.839 (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: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2128.479266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.479266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.998327 (E_RNA)
where:
Base-Base interactions energy: -1437.839
where: short stacking energy: -653.501
Base-Backbone interact. energy: 0.551
local terms energy: -693.710470
where:
bonds (distance) C4'-P energy: -130.569
bonds (distance) P-C4' energy: -136.917
flat angles C4'-P-C4' energy: -151.398
flat angles P-C4'-P energy: -80.119
tors. eta vs tors. theta energy: -194.707
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: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2088.797514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.797514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.922236 (E_RNA)
where:
Base-Base interactions energy: -1428.649
where: short stacking energy: -588.118
Base-Backbone interact. energy: 7.379
local terms energy: -669.651824
where:
bonds (distance) C4'-P energy: -138.645
bonds (distance) P-C4' energy: -126.806
flat angles C4'-P-C4' energy: -153.579
flat angles P-C4'-P energy: -96.183
tors. eta vs tors. theta energy: -154.439
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1962.069029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.627604 (E_RNA)
where:
Base-Base interactions energy: -1325.430
where: short stacking energy: -564.420
Base-Backbone interact. energy: 1.264
local terms energy: -640.461742
where:
bonds (distance) C4'-P energy: -125.639
bonds (distance) P-C4' energy: -129.487
flat angles C4'-P-C4' energy: -146.281
flat angles P-C4'-P energy: -90.964
tors. eta vs tors. theta energy: -148.092
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1846.759121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.759121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.884628 (E_RNA)
where:
Base-Base interactions energy: -1245.902
where: short stacking energy: -513.518
Base-Backbone interact. energy: 2.194
local terms energy: -606.177022
where:
bonds (distance) C4'-P energy: -149.461
bonds (distance) P-C4' energy: -115.569
flat angles C4'-P-C4' energy: -132.706
flat angles P-C4'-P energy: -82.282
tors. eta vs tors. theta energy: -126.160
Dist. restrs. and SS energy: 3.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2865.522686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.522686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.010738 (E_RNA)
where:
Base-Base interactions energy: -1963.462
where: short stacking energy: -841.370
Base-Backbone interact. energy: -3.685
local terms energy: -899.863338
where:
bonds (distance) C4'-P energy: -170.550
bonds (distance) P-C4' energy: -146.371
flat angles C4'-P-C4' energy: -194.696
flat angles P-C4'-P energy: -128.777
tors. eta vs tors. theta energy: -259.469
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2772.690577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.690577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.882315 (E_RNA)
where:
Base-Base interactions energy: -1919.612
where: short stacking energy: -824.195
Base-Backbone interact. energy: -5.392
local terms energy: -848.878736
where:
bonds (distance) C4'-P energy: -147.176
bonds (distance) P-C4' energy: -156.865
flat angles C4'-P-C4' energy: -180.471
flat angles P-C4'-P energy: -124.337
tors. eta vs tors. theta energy: -240.030
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: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2618.734834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.734834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.220924 (E_RNA)
where:
Base-Base interactions energy: -1781.534
where: short stacking energy: -753.721
Base-Backbone interact. energy: -2.672
local terms energy: -837.014981
where:
bonds (distance) C4'-P energy: -160.986
bonds (distance) P-C4' energy: -166.384
flat angles C4'-P-C4' energy: -167.339
flat angles P-C4'-P energy: -114.914
tors. eta vs tors. theta energy: -227.391
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: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2419.446051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.446051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.588298 (E_RNA)
where:
Base-Base interactions energy: -1638.119
where: short stacking energy: -707.641
Base-Backbone interact. energy: -5.378
local terms energy: -777.091525
where:
bonds (distance) C4'-P energy: -140.898
bonds (distance) P-C4' energy: -145.196
flat angles C4'-P-C4' energy: -176.341
flat angles P-C4'-P energy: -114.874
tors. eta vs tors. theta energy: -199.782
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2289.807953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.807953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.669085 (E_RNA)
where:
Base-Base interactions energy: -1523.807
where: short stacking energy: -673.662
Base-Backbone interact. energy: 2.348
local terms energy: -770.210252
where:
bonds (distance) C4'-P energy: -151.070
bonds (distance) P-C4' energy: -153.933
flat angles C4'-P-C4' energy: -165.476
flat angles P-C4'-P energy: -109.890
tors. eta vs tors. theta energy: -189.841
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: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2171.520769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.520769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.554476 (E_RNA)
where:
Base-Base interactions energy: -1432.632
where: short stacking energy: -628.435
Base-Backbone interact. energy: 2.101
local terms energy: -743.023928
where:
bonds (distance) C4'-P energy: -140.641
bonds (distance) P-C4' energy: -145.624
flat angles C4'-P-C4' energy: -166.309
flat angles P-C4'-P energy: -103.106
tors. eta vs tors. theta energy: -187.344
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2186.461715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.461715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.104179 (E_RNA)
where:
Base-Base interactions energy: -1482.300
where: short stacking energy: -612.954
Base-Backbone interact. energy: 10.381
local terms energy: -716.185522
where:
bonds (distance) C4'-P energy: -143.645
bonds (distance) P-C4' energy: -140.362
flat angles C4'-P-C4' energy: -160.960
flat angles P-C4'-P energy: -96.282
tors. eta vs tors. theta energy: -174.937
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: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2072.079726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.079726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.414233 (E_RNA)
where:
Base-Base interactions energy: -1398.475
where: short stacking energy: -591.623
Base-Backbone interact. energy: -3.123
local terms energy: -672.816227
where:
bonds (distance) C4'-P energy: -130.276
bonds (distance) P-C4' energy: -130.286
flat angles C4'-P-C4' energy: -163.439
flat angles P-C4'-P energy: -76.566
tors. eta vs tors. theta energy: -172.249
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: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1898.015322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.015322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.298420 (E_RNA)
where:
Base-Base interactions energy: -1268.098
where: short stacking energy: -510.334
Base-Backbone interact. energy: 3.097
local terms energy: -635.297441
where:
bonds (distance) C4'-P energy: -130.567
bonds (distance) P-C4' energy: -135.567
flat angles C4'-P-C4' energy: -143.675
flat angles P-C4'-P energy: -98.964
tors. eta vs tors. theta energy: -126.524
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: 10, replica: 5
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1907.660647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.660647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.926519 (E_RNA)
where:
Base-Base interactions energy: -1276.794
where: short stacking energy: -522.661
Base-Backbone interact. energy: -2.089
local terms energy: -634.043682
where:
bonds (distance) C4'-P energy: -115.485
bonds (distance) P-C4' energy: -148.646
flat angles C4'-P-C4' energy: -139.535
flat angles P-C4'-P energy: -95.832
tors. eta vs tors. theta energy: -134.545
Dist. restrs. and SS energy: 5.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2859.024487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.024487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.268556 (E_RNA)
where:
Base-Base interactions energy: -1979.802
where: short stacking energy: -843.137
Base-Backbone interact. energy: -0.128
local terms energy: -880.338915
where:
bonds (distance) C4'-P energy: -159.021
bonds (distance) P-C4' energy: -162.393
flat angles C4'-P-C4' energy: -175.270
flat angles P-C4'-P energy: -126.028
tors. eta vs tors. theta energy: -257.627
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: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2787.976409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.976409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.306319 (E_RNA)
where:
Base-Base interactions energy: -1934.810
where: short stacking energy: -818.501
Base-Backbone interact. energy: -3.686
local terms energy: -850.811029
where:
bonds (distance) C4'-P energy: -153.640
bonds (distance) P-C4' energy: -165.581
flat angles C4'-P-C4' energy: -192.374
flat angles P-C4'-P energy: -110.409
tors. eta vs tors. theta energy: -228.808
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2670.608965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.387001 (E_RNA)
where:
Base-Base interactions energy: -1843.898
where: short stacking energy: -772.834
Base-Backbone interact. energy: -5.782
local terms energy: -822.707945
where:
bonds (distance) C4'-P energy: -161.313
bonds (distance) P-C4' energy: -147.022
flat angles C4'-P-C4' energy: -173.378
flat angles P-C4'-P energy: -120.834
tors. eta vs tors. theta energy: -220.161
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: 255
Temperature: 1.050000
Total energy: -2405.584037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.584037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.645744 (E_RNA)
where:
Base-Base interactions energy: -1654.356
where: short stacking energy: -727.916
Base-Backbone interact. energy: -4.468
local terms energy: -747.821894
where:
bonds (distance) C4'-P energy: -144.441
bonds (distance) P-C4' energy: -145.914
flat angles C4'-P-C4' energy: -160.951
flat angles P-C4'-P energy: -98.387
tors. eta vs tors. theta energy: -198.129
Dist. restrs. and SS energy: 1.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2291.803404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.803404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.891948 (E_RNA)
where:
Base-Base interactions energy: -1573.881
where: short stacking energy: -672.035
Base-Backbone interact. energy: -1.722
local terms energy: -718.288236
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -146.590
flat angles C4'-P-C4' energy: -153.403
flat angles P-C4'-P energy: -94.547
tors. eta vs tors. theta energy: -185.719
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: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2210.802423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.802423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.556353 (E_RNA)
where:
Base-Base interactions energy: -1486.731
where: short stacking energy: -611.580
Base-Backbone interact. energy: -0.686
local terms energy: -727.139462
where:
bonds (distance) C4'-P energy: -138.997
bonds (distance) P-C4' energy: -157.814
flat angles C4'-P-C4' energy: -154.043
flat angles P-C4'-P energy: -92.471
tors. eta vs tors. theta energy: -183.814
Dist. restrs. and SS energy: 3.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2079.803194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.803194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.610062 (E_RNA)
where:
Base-Base interactions energy: -1416.025
where: short stacking energy: -625.525
Base-Backbone interact. energy: 2.715
local terms energy: -669.299876
where:
bonds (distance) C4'-P energy: -132.310
bonds (distance) P-C4' energy: -152.470
flat angles C4'-P-C4' energy: -139.383
flat angles P-C4'-P energy: -81.003
tors. eta vs tors. theta energy: -164.134
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2081.362827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.362827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.135339 (E_RNA)
where:
Base-Base interactions energy: -1413.822
where: short stacking energy: -585.097
Base-Backbone interact. energy: -0.446
local terms energy: -669.867786
where:
bonds (distance) C4'-P energy: -136.964
bonds (distance) P-C4' energy: -130.582
flat angles C4'-P-C4' energy: -150.134
flat angles P-C4'-P energy: -98.868
tors. eta vs tors. theta energy: -153.319
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: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1907.160917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.160917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.163638 (E_RNA)
where:
Base-Base interactions energy: -1313.060
where: short stacking energy: -585.089
Base-Backbone interact. energy: 4.923
local terms energy: -604.026962
where:
bonds (distance) C4'-P energy: -127.499
bonds (distance) P-C4' energy: -110.392
flat angles C4'-P-C4' energy: -138.952
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -136.589
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: 10, replica: 5
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1852.523770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.523770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.219516 (E_RNA)
where:
Base-Base interactions energy: -1238.478
where: short stacking energy: -511.373
Base-Backbone interact. energy: -0.700
local terms energy: -617.041203
where:
bonds (distance) C4'-P energy: -113.955
bonds (distance) P-C4' energy: -158.575
flat angles C4'-P-C4' energy: -127.004
flat angles P-C4'-P energy: -88.050
tors. eta vs tors. theta energy: -129.456
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: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2858.743928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.743928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.794537 (E_RNA)
where:
Base-Base interactions energy: -1968.981
where: short stacking energy: -839.963
Base-Backbone interact. energy: -2.418
local terms energy: -889.395560
where:
bonds (distance) C4'-P energy: -168.301
bonds (distance) P-C4' energy: -155.842
flat angles C4'-P-C4' energy: -191.914
flat angles P-C4'-P energy: -118.621
tors. eta vs tors. theta energy: -254.717
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2774.243427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.243427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.722062 (E_RNA)
where:
Base-Base interactions energy: -1904.298
where: short stacking energy: -818.618
Base-Backbone interact. energy: -0.792
local terms energy: -870.632322
where:
bonds (distance) C4'-P energy: -152.947
bonds (distance) P-C4' energy: -165.899
flat angles C4'-P-C4' energy: -197.308
flat angles P-C4'-P energy: -118.143
tors. eta vs tors. theta energy: -236.335
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2638.986415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.986415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.163736 (E_RNA)
where:
Base-Base interactions energy: -1805.816
where: short stacking energy: -787.861
Base-Backbone interact. energy: 2.056
local terms energy: -837.402909
where:
bonds (distance) C4'-P energy: -161.039
bonds (distance) P-C4' energy: -154.599
flat angles C4'-P-C4' energy: -175.755
flat angles P-C4'-P energy: -124.970
tors. eta vs tors. theta energy: -221.039
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: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2410.767008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.767008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.945006 (E_RNA)
where:
Base-Base interactions energy: -1650.165
where: short stacking energy: -706.818
Base-Backbone interact. energy: -2.798
local terms energy: -759.982249
where:
bonds (distance) C4'-P energy: -144.395
bonds (distance) P-C4' energy: -140.463
flat angles C4'-P-C4' energy: -169.645
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -203.177
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: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2297.554457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.554457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.096667 (E_RNA)
where:
Base-Base interactions energy: -1574.822
where: short stacking energy: -667.768
Base-Backbone interact. energy: -1.344
local terms energy: -722.930255
where:
bonds (distance) C4'-P energy: -123.007
bonds (distance) P-C4' energy: -146.633
flat angles C4'-P-C4' energy: -160.969
flat angles P-C4'-P energy: -107.135
tors. eta vs tors. theta energy: -185.187
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2228.906924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.906924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.574898 (E_RNA)
where:
Base-Base interactions energy: -1508.628
where: short stacking energy: -645.790
Base-Backbone interact. energy: 2.147
local terms energy: -724.093736
where:
bonds (distance) C4'-P energy: -149.464
bonds (distance) P-C4' energy: -144.935
flat angles C4'-P-C4' energy: -158.261
flat angles P-C4'-P energy: -89.518
tors. eta vs tors. theta energy: -181.915
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: 256
Temperature: 1.200000
Total energy: -2057.590309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.590309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.381699 (E_RNA)
where:
Base-Base interactions energy: -1424.692
where: short stacking energy: -617.297
Base-Backbone interact. energy: 1.788
local terms energy: -636.478568
where:
bonds (distance) C4'-P energy: -129.379
bonds (distance) P-C4' energy: -121.748
flat angles C4'-P-C4' energy: -154.558
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -142.521
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: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2030.661896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.661896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.531116 (E_RNA)
where:
Base-Base interactions energy: -1384.180
where: short stacking energy: -599.260
Base-Backbone interact. energy: 1.734
local terms energy: -651.085770
where:
bonds (distance) C4'-P energy: -144.508
bonds (distance) P-C4' energy: -126.529
flat angles C4'-P-C4' energy: -144.631
flat angles P-C4'-P energy: -90.591
tors. eta vs tors. theta energy: -144.827
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1903.201146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.201146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.233345 (E_RNA)
where:
Base-Base interactions energy: -1315.627
where: short stacking energy: -555.095
Base-Backbone interact. energy: 5.143
local terms energy: -595.748661
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -115.784
flat angles C4'-P-C4' energy: -153.120
flat angles P-C4'-P energy: -72.452
tors. eta vs tors. theta energy: -156.331
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1872.273665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.273665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.340182 (E_RNA)
where:
Base-Base interactions energy: -1259.166
where: short stacking energy: -518.162
Base-Backbone interact. energy: -1.227
local terms energy: -613.947245
where:
bonds (distance) C4'-P energy: -128.690
bonds (distance) P-C4' energy: -128.820
flat angles C4'-P-C4' energy: -140.118
flat angles P-C4'-P energy: -86.032
tors. eta vs tors. theta energy: -130.287
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2848.041465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.041465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.728924 (E_RNA)
where:
Base-Base interactions energy: -1984.969
where: short stacking energy: -831.254
Base-Backbone interact. energy: -1.301
local terms energy: -864.458424
where:
bonds (distance) C4'-P energy: -167.393
bonds (distance) P-C4' energy: -158.959
flat angles C4'-P-C4' energy: -179.426
flat angles P-C4'-P energy: -117.722
tors. eta vs tors. theta energy: -240.958
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2775.929168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.929168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.741383 (E_RNA)
where:
Base-Base interactions energy: -1929.629
where: short stacking energy: -824.486
Base-Backbone interact. energy: -1.727
local terms energy: -845.385125
where:
bonds (distance) C4'-P energy: -156.069
bonds (distance) P-C4' energy: -148.198
flat angles C4'-P-C4' energy: -186.182
flat angles P-C4'-P energy: -133.572
tors. eta vs tors. theta energy: -221.364
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2588.161563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.161563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.926220 (E_RNA)
where:
Base-Base interactions energy: -1781.558
where: short stacking energy: -745.401
Base-Backbone interact. energy: -0.957
local terms energy: -806.411228
where:
bonds (distance) C4'-P energy: -140.355
bonds (distance) P-C4' energy: -150.035
flat angles C4'-P-C4' energy: -180.795
flat angles P-C4'-P energy: -123.766
tors. eta vs tors. theta energy: -211.460
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2430.062911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.062911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.263146 (E_RNA)
where:
Base-Base interactions energy: -1639.131
where: short stacking energy: -730.150
Base-Backbone interact. energy: 4.694
local terms energy: -797.826319
where:
bonds (distance) C4'-P energy: -128.857
bonds (distance) P-C4' energy: -145.273
flat angles C4'-P-C4' energy: -192.913
flat angles P-C4'-P energy: -119.716
tors. eta vs tors. theta energy: -211.067
Dist. restrs. and SS energy: 2.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2330.396610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.396610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.362975 (E_RNA)
where:
Base-Base interactions energy: -1586.665
where: short stacking energy: -675.138
Base-Backbone interact. energy: 1.726
local terms energy: -747.424030
where:
bonds (distance) C4'-P energy: -143.919
bonds (distance) P-C4' energy: -136.681
flat angles C4'-P-C4' energy: -176.228
flat angles P-C4'-P energy: -104.626
tors. eta vs tors. theta energy: -185.970
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: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2300.423413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.423413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.803200 (E_RNA)
where:
Base-Base interactions energy: -1571.902
where: short stacking energy: -666.295
Base-Backbone interact. energy: -1.584
local terms energy: -729.317202
where:
bonds (distance) C4'-P energy: -131.723
bonds (distance) P-C4' energy: -141.603
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -104.222
tors. eta vs tors. theta energy: -190.726
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2034.264100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.264100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.246876 (E_RNA)
where:
Base-Base interactions energy: -1393.174
where: short stacking energy: -582.562
Base-Backbone interact. energy: 3.817
local terms energy: -646.890265
where:
bonds (distance) C4'-P energy: -133.771
bonds (distance) P-C4' energy: -126.158
flat angles C4'-P-C4' energy: -143.937
flat angles P-C4'-P energy: -90.288
tors. eta vs tors. theta energy: -152.736
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2018.155191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.155191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.479934 (E_RNA)
where:
Base-Base interactions energy: -1372.677
where: short stacking energy: -592.986
Base-Backbone interact. energy: -0.440
local terms energy: -647.363653
where:
bonds (distance) C4'-P energy: -140.584
bonds (distance) P-C4' energy: -130.904
flat angles C4'-P-C4' energy: -149.540
flat angles P-C4'-P energy: -77.588
tors. eta vs tors. theta energy: -148.748
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: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1963.477698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.477698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.156394 (E_RNA)
where:
Base-Base interactions energy: -1296.027
where: short stacking energy: -560.987
Base-Backbone interact. energy: -3.019
local terms energy: -669.110905
where:
bonds (distance) C4'-P energy: -140.637
bonds (distance) P-C4' energy: -142.062
flat angles C4'-P-C4' energy: -140.712
flat angles P-C4'-P energy: -97.764
tors. eta vs tors. theta energy: -147.935
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: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1879.418578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.418578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.402580 (E_RNA)
where:
Base-Base interactions energy: -1290.994
where: short stacking energy: -528.373
Base-Backbone interact. energy: -2.335
local terms energy: -589.073897
where:
bonds (distance) C4'-P energy: -93.200
bonds (distance) P-C4' energy: -132.372
flat angles C4'-P-C4' energy: -136.341
flat angles P-C4'-P energy: -89.671
tors. eta vs tors. theta energy: -137.490
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2823.188058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.188058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.035703 (E_RNA)
where:
Base-Base interactions energy: -1956.187
where: short stacking energy: -816.837
Base-Backbone interact. energy: 4.205
local terms energy: -873.053968
where:
bonds (distance) C4'-P energy: -157.161
bonds (distance) P-C4' energy: -176.055
flat angles C4'-P-C4' energy: -180.439
flat angles P-C4'-P energy: -128.826
tors. eta vs tors. theta energy: -230.573
Dist. restrs. and SS energy: 1.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2759.008559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.008559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.900151 (E_RNA)
where:
Base-Base interactions energy: -1934.789
where: short stacking energy: -785.665
Base-Backbone interact. energy: -2.610
local terms energy: -824.500578
where:
bonds (distance) C4'-P energy: -148.334
bonds (distance) P-C4' energy: -155.230
flat angles C4'-P-C4' energy: -166.852
flat angles P-C4'-P energy: -122.667
tors. eta vs tors. theta energy: -231.417
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: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2662.283567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.283567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.694680 (E_RNA)
where:
Base-Base interactions energy: -1826.596
where: short stacking energy: -762.172
Base-Backbone interact. energy: -4.746
local terms energy: -832.352601
where:
bonds (distance) C4'-P energy: -143.180
bonds (distance) P-C4' energy: -152.893
flat angles C4'-P-C4' energy: -186.903
flat angles P-C4'-P energy: -124.500
tors. eta vs tors. theta energy: -224.877
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2393.396907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.396907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.765257 (E_RNA)
where:
Base-Base interactions energy: -1659.155
where: short stacking energy: -718.003
Base-Backbone interact. energy: -4.030
local terms energy: -732.580540
where:
bonds (distance) C4'-P energy: -152.929
bonds (distance) P-C4' energy: -119.976
flat angles C4'-P-C4' energy: -149.139
flat angles P-C4'-P energy: -124.762
tors. eta vs tors. theta energy: -185.775
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: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2339.888667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.888667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.828908 (E_RNA)
where:
Base-Base interactions energy: -1604.166
where: short stacking energy: -710.899
Base-Backbone interact. energy: -4.805
local terms energy: -732.857966
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -134.269
flat angles C4'-P-C4' energy: -160.949
flat angles P-C4'-P energy: -104.286
tors. eta vs tors. theta energy: -191.259
Dist. restrs. and SS energy: 1.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2193.544071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.544071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.453753 (E_RNA)
where:
Base-Base interactions energy: -1489.969
where: short stacking energy: -618.900
Base-Backbone interact. energy: -0.119
local terms energy: -706.366240
where:
bonds (distance) C4'-P energy: -127.984
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -161.098
flat angles P-C4'-P energy: -110.362
tors. eta vs tors. theta energy: -163.627
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: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2036.004754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.004754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.623707 (E_RNA)
where:
Base-Base interactions energy: -1388.269
where: short stacking energy: -563.828
Base-Backbone interact. energy: 4.385
local terms energy: -654.739018
where:
bonds (distance) C4'-P energy: -120.500
bonds (distance) P-C4' energy: -142.249
flat angles C4'-P-C4' energy: -147.456
flat angles P-C4'-P energy: -95.347
tors. eta vs tors. theta energy: -149.187
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1960.960522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.960522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.214498 (E_RNA)
where:
Base-Base interactions energy: -1311.208
where: short stacking energy: -547.601
Base-Backbone interact. energy: 0.382
local terms energy: -655.389251
where:
bonds (distance) C4'-P energy: -143.046
bonds (distance) P-C4' energy: -127.601
flat angles C4'-P-C4' energy: -151.478
flat angles P-C4'-P energy: -71.646
tors. eta vs tors. theta energy: -161.618
Dist. restrs. and SS energy: 5.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1933.044886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.044886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.559338 (E_RNA)
where:
Base-Base interactions energy: -1307.797
where: short stacking energy: -559.332
Base-Backbone interact. energy: 0.660
local terms energy: -630.421986
where:
bonds (distance) C4'-P energy: -117.188
bonds (distance) P-C4' energy: -122.266
flat angles C4'-P-C4' energy: -142.962
flat angles P-C4'-P energy: -93.577
tors. eta vs tors. theta energy: -154.428
Dist. restrs. and SS energy: 4.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1897.270393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.270393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.920943 (E_RNA)
where:
Base-Base interactions energy: -1273.010
where: short stacking energy: -564.657
Base-Backbone interact. energy: 0.244
local terms energy: -630.154931
where:
bonds (distance) C4'-P energy: -115.837
bonds (distance) P-C4' energy: -143.014
flat angles C4'-P-C4' energy: -145.263
flat angles P-C4'-P energy: -80.127
tors. eta vs tors. theta energy: -145.914
Dist. restrs. and SS energy: 5.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2825.785217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.785217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.710788 (E_RNA)
where:
Base-Base interactions energy: -1965.781
where: short stacking energy: -840.708
Base-Backbone interact. energy: 1.512
local terms energy: -863.442584
where:
bonds (distance) C4'-P energy: -158.625
bonds (distance) P-C4' energy: -166.121
flat angles C4'-P-C4' energy: -183.039
flat angles P-C4'-P energy: -120.922
tors. eta vs tors. theta energy: -234.735
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2803.319930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.319930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.577109 (E_RNA)
where:
Base-Base interactions energy: -1941.852
where: short stacking energy: -820.437
Base-Backbone interact. energy: -2.489
local terms energy: -861.236929
where:
bonds (distance) C4'-P energy: -147.629
bonds (distance) P-C4' energy: -157.285
flat angles C4'-P-C4' energy: -189.859
flat angles P-C4'-P energy: -123.046
tors. eta vs tors. theta energy: -243.417
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: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2624.178586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.178586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.610309 (E_RNA)
where:
Base-Base interactions energy: -1824.562
where: short stacking energy: -753.246
Base-Backbone interact. energy: -4.418
local terms energy: -796.630754
where:
bonds (distance) C4'-P energy: -162.636
bonds (distance) P-C4' energy: -150.195
flat angles C4'-P-C4' energy: -165.485
flat angles P-C4'-P energy: -106.035
tors. eta vs tors. theta energy: -212.279
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2414.251615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.251615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.152446 (E_RNA)
where:
Base-Base interactions energy: -1643.453
where: short stacking energy: -683.284
Base-Backbone interact. energy: 1.639
local terms energy: -774.338559
where:
bonds (distance) C4'-P energy: -153.173
bonds (distance) P-C4' energy: -149.178
flat angles C4'-P-C4' energy: -171.395
flat angles P-C4'-P energy: -110.418
tors. eta vs tors. theta energy: -190.174
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: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2245.551474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.551474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.564696 (E_RNA)
where:
Base-Base interactions energy: -1529.431
where: short stacking energy: -639.127
Base-Backbone interact. energy: -4.649
local terms energy: -713.485184
where:
bonds (distance) C4'-P energy: -144.320
bonds (distance) P-C4' energy: -139.599
flat angles C4'-P-C4' energy: -164.590
flat angles P-C4'-P energy: -83.095
tors. eta vs tors. theta energy: -181.881
Dist. restrs. and SS energy: 2.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2194.056535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.056535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.154551 (E_RNA)
where:
Base-Base interactions energy: -1499.827
where: short stacking energy: -605.705
Base-Backbone interact. energy: 1.129
local terms energy: -697.457307
where:
bonds (distance) C4'-P energy: -130.106
bonds (distance) P-C4' energy: -147.865
flat angles C4'-P-C4' energy: -159.414
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -152.475
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2025.403868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.403868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.329070 (E_RNA)
where:
Base-Base interactions energy: -1370.148
where: short stacking energy: -585.316
Base-Backbone interact. energy: -3.030
local terms energy: -654.151286
where:
bonds (distance) C4'-P energy: -124.140
bonds (distance) P-C4' energy: -148.587
flat angles C4'-P-C4' energy: -135.885
flat angles P-C4'-P energy: -93.578
tors. eta vs tors. theta energy: -151.961
Dist. restrs. and SS energy: 1.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2002.915639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.915639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.775959 (E_RNA)
where:
Base-Base interactions energy: -1339.650
where: short stacking energy: -554.854
Base-Backbone interact. energy: -2.357
local terms energy: -664.769421
where:
bonds (distance) C4'-P energy: -140.190
bonds (distance) P-C4' energy: -152.347
flat angles C4'-P-C4' energy: -155.483
flat angles P-C4'-P energy: -81.311
tors. eta vs tors. theta energy: -135.438
Dist. restrs. and SS energy: 3.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1959.581074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.581074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.375663 (E_RNA)
where:
Base-Base interactions energy: -1331.163
where: short stacking energy: -576.209
Base-Backbone interact. energy: 5.307
local terms energy: -637.519403
where:
bonds (distance) C4'-P energy: -123.933
bonds (distance) P-C4' energy: -130.802
flat angles C4'-P-C4' energy: -121.963
flat angles P-C4'-P energy: -98.396
tors. eta vs tors. theta energy: -162.426
Dist. restrs. and SS energy: 3.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1880.423219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.423219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.198026 (E_RNA)
where:
Base-Base interactions energy: -1253.552
where: short stacking energy: -524.003
Base-Backbone interact. energy: -0.352
local terms energy: -630.293764
where:
bonds (distance) C4'-P energy: -130.041
bonds (distance) P-C4' energy: -113.375
flat angles C4'-P-C4' energy: -145.931
flat angles P-C4'-P energy: -85.527
tors. eta vs tors. theta energy: -155.420
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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2861.861332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.861332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.514241 (E_RNA)
where:
Base-Base interactions energy: -1992.194
where: short stacking energy: -827.444
Base-Backbone interact. energy: -0.416
local terms energy: -871.903918
where:
bonds (distance) C4'-P energy: -165.763
bonds (distance) P-C4' energy: -147.861
flat angles C4'-P-C4' energy: -178.994
flat angles P-C4'-P energy: -139.316
tors. eta vs tors. theta energy: -239.970
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: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2796.544963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.544963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.697417 (E_RNA)
where:
Base-Base interactions energy: -1931.623
where: short stacking energy: -813.739
Base-Backbone interact. energy: -2.930
local terms energy: -864.145179
where:
bonds (distance) C4'-P energy: -154.156
bonds (distance) P-C4' energy: -158.520
flat angles C4'-P-C4' energy: -180.171
flat angles P-C4'-P energy: -131.272
tors. eta vs tors. theta energy: -240.027
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2654.559601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.559601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.863629 (E_RNA)
where:
Base-Base interactions energy: -1857.918
where: short stacking energy: -800.505
Base-Backbone interact. energy: 5.742
local terms energy: -803.687887
where:
bonds (distance) C4'-P energy: -156.313
bonds (distance) P-C4' energy: -135.432
flat angles C4'-P-C4' energy: -179.497
flat angles P-C4'-P energy: -103.212
tors. eta vs tors. theta energy: -229.235
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2442.833548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.808231 (E_RNA)
where:
Base-Base interactions energy: -1649.831
where: short stacking energy: -718.217
Base-Backbone interact. energy: -1.952
local terms energy: -793.024703
where:
bonds (distance) C4'-P energy: -167.436
bonds (distance) P-C4' energy: -143.297
flat angles C4'-P-C4' energy: -172.714
flat angles P-C4'-P energy: -115.217
tors. eta vs tors. theta energy: -194.360
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2265.677863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.677863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.654354 (E_RNA)
where:
Base-Base interactions energy: -1527.109
where: short stacking energy: -664.733
Base-Backbone interact. energy: -1.482
local terms energy: -740.063691
where:
bonds (distance) C4'-P energy: -155.703
bonds (distance) P-C4' energy: -155.215
flat angles C4'-P-C4' energy: -152.251
flat angles P-C4'-P energy: -102.058
tors. eta vs tors. theta energy: -174.836
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2211.555565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.555565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.449179 (E_RNA)
where:
Base-Base interactions energy: -1502.667
where: short stacking energy: -620.436
Base-Backbone interact. energy: 0.808
local terms energy: -711.590018
where:
bonds (distance) C4'-P energy: -135.361
bonds (distance) P-C4' energy: -152.003
flat angles C4'-P-C4' energy: -159.258
flat angles P-C4'-P energy: -103.343
tors. eta vs tors. theta energy: -161.625
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: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2055.053762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.053762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.979365 (E_RNA)
where:
Base-Base interactions energy: -1341.230
where: short stacking energy: -590.920
Base-Backbone interact. energy: 0.543
local terms energy: -717.292307
where:
bonds (distance) C4'-P energy: -145.637
bonds (distance) P-C4' energy: -152.460
flat angles C4'-P-C4' energy: -148.953
flat angles P-C4'-P energy: -103.633
tors. eta vs tors. theta energy: -166.609
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: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2006.485806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.485806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.806700 (E_RNA)
where:
Base-Base interactions energy: -1333.736
where: short stacking energy: -600.732
Base-Backbone interact. energy: -1.777
local terms energy: -675.293121
where:
bonds (distance) C4'-P energy: -140.646
bonds (distance) P-C4' energy: -129.098
flat angles C4'-P-C4' energy: -145.633
flat angles P-C4'-P energy: -101.851
tors. eta vs tors. theta energy: -158.065
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1928.163975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.163975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.416495 (E_RNA)
where:
Base-Base interactions energy: -1296.430
where: short stacking energy: -558.422
Base-Backbone interact. energy: -1.070
local terms energy: -634.916643
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -126.662
flat angles C4'-P-C4' energy: -142.371
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -150.887
Dist. restrs. and SS energy: 4.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1871.555004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.555004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.993011 (E_RNA)
where:
Base-Base interactions energy: -1273.873
where: short stacking energy: -535.473
Base-Backbone interact. energy: -2.507
local terms energy: -598.613073
where:
bonds (distance) C4'-P energy: -134.427
bonds (distance) P-C4' energy: -131.641
flat angles C4'-P-C4' energy: -131.347
flat angles P-C4'-P energy: -62.662
tors. eta vs tors. theta energy: -138.536
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: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2851.791334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.791334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.757231 (E_RNA)
where:
Base-Base interactions energy: -1976.991
where: short stacking energy: -827.668
Base-Backbone interact. energy: -1.940
local terms energy: -874.825368
where:
bonds (distance) C4'-P energy: -160.219
bonds (distance) P-C4' energy: -170.640
flat angles C4'-P-C4' energy: -182.166
flat angles P-C4'-P energy: -126.599
tors. eta vs tors. theta energy: -235.201
Dist. restrs. and SS energy: 1.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2813.174197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.174197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.216699 (E_RNA)
where:
Base-Base interactions energy: -1943.807
where: short stacking energy: -807.773
Base-Backbone interact. energy: -2.893
local terms energy: -867.516243
where:
bonds (distance) C4'-P energy: -149.983
bonds (distance) P-C4' energy: -159.370
flat angles C4'-P-C4' energy: -190.348
flat angles P-C4'-P energy: -124.908
tors. eta vs tors. theta energy: -242.907
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: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2669.608784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.608784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.374456 (E_RNA)
where:
Base-Base interactions energy: -1859.984
where: short stacking energy: -783.766
Base-Backbone interact. energy: -4.518
local terms energy: -807.872244
where:
bonds (distance) C4'-P energy: -154.394
bonds (distance) P-C4' energy: -145.338
flat angles C4'-P-C4' energy: -168.876
flat angles P-C4'-P energy: -109.569
tors. eta vs tors. theta energy: -229.695
Dist. restrs. and SS energy: 2.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2449.970565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.970565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.395924 (E_RNA)
where:
Base-Base interactions energy: -1684.358
where: short stacking energy: -728.420
Base-Backbone interact. energy: -2.847
local terms energy: -765.190369
where:
bonds (distance) C4'-P energy: -130.067
bonds (distance) P-C4' energy: -154.765
flat angles C4'-P-C4' energy: -166.043
flat angles P-C4'-P energy: -107.033
tors. eta vs tors. theta energy: -207.281
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2297.519919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.519919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.094688 (E_RNA)
where:
Base-Base interactions energy: -1594.129
where: short stacking energy: -660.232
Base-Backbone interact. energy: -2.453
local terms energy: -702.512790
where:
bonds (distance) C4'-P energy: -132.408
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -158.627
flat angles P-C4'-P energy: -99.566
tors. eta vs tors. theta energy: -174.073
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: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2238.871016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.871016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.574887 (E_RNA)
where:
Base-Base interactions energy: -1505.662
where: short stacking energy: -621.181
Base-Backbone interact. energy: -2.422
local terms energy: -732.491163
where:
bonds (distance) C4'-P energy: -140.986
bonds (distance) P-C4' energy: -141.705
flat angles C4'-P-C4' energy: -163.707
flat angles P-C4'-P energy: -116.662
tors. eta vs tors. theta energy: -169.431
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: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2067.457445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.457445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.082102 (E_RNA)
where:
Base-Base interactions energy: -1427.420
where: short stacking energy: -598.954
Base-Backbone interact. energy: 3.729
local terms energy: -647.390930
where:
bonds (distance) C4'-P energy: -117.881
bonds (distance) P-C4' energy: -149.180
flat angles C4'-P-C4' energy: -140.221
flat angles P-C4'-P energy: -87.855
tors. eta vs tors. theta energy: -152.255
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1989.893748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.893748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.260861 (E_RNA)
where:
Base-Base interactions energy: -1334.824
where: short stacking energy: -571.680
Base-Backbone interact. energy: 0.564
local terms energy: -658.001131
where:
bonds (distance) C4'-P energy: -130.798
bonds (distance) P-C4' energy: -135.966
flat angles C4'-P-C4' energy: -140.303
flat angles P-C4'-P energy: -95.644
tors. eta vs tors. theta energy: -155.290
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: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1972.059929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.059929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.079388 (E_RNA)
where:
Base-Base interactions energy: -1340.629
where: short stacking energy: -592.688
Base-Backbone interact. energy: 0.127
local terms energy: -634.577533
where:
bonds (distance) C4'-P energy: -130.224
bonds (distance) P-C4' energy: -145.185
flat angles C4'-P-C4' energy: -137.297
flat angles P-C4'-P energy: -80.168
tors. eta vs tors. theta energy: -141.703
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1840.914860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.914860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.296698 (E_RNA)
where:
Base-Base interactions energy: -1225.844
where: short stacking energy: -528.802
Base-Backbone interact. energy: 1.403
local terms energy: -627.856137
where:
bonds (distance) C4'-P energy: -124.552
bonds (distance) P-C4' energy: -124.026
flat angles C4'-P-C4' energy: -144.114
flat angles P-C4'-P energy: -99.800
tors. eta vs tors. theta energy: -135.364
Dist. restrs. and SS energy: 11.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2873.334599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.334599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.935839 (E_RNA)
where:
Base-Base interactions energy: -1973.373
where: short stacking energy: -823.658
Base-Backbone interact. energy: -4.025
local terms energy: -897.537768
where:
bonds (distance) C4'-P energy: -170.902
bonds (distance) P-C4' energy: -154.223
flat angles C4'-P-C4' energy: -195.590
flat angles P-C4'-P energy: -123.437
tors. eta vs tors. theta energy: -253.385
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: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2814.776399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.776399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.036371 (E_RNA)
where:
Base-Base interactions energy: -1976.369
where: short stacking energy: -826.153
Base-Backbone interact. energy: 5.675
local terms energy: -845.342414
where:
bonds (distance) C4'-P energy: -163.373
bonds (distance) P-C4' energy: -149.576
flat angles C4'-P-C4' energy: -181.527
flat angles P-C4'-P energy: -119.214
tors. eta vs tors. theta energy: -231.653
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: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2693.551487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.551487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.464805 (E_RNA)
where:
Base-Base interactions energy: -1845.895
where: short stacking energy: -769.790
Base-Backbone interact. energy: 3.893
local terms energy: -853.462247
where:
bonds (distance) C4'-P energy: -164.177
bonds (distance) P-C4' energy: -165.994
flat angles C4'-P-C4' energy: -186.121
flat angles P-C4'-P energy: -119.345
tors. eta vs tors. theta energy: -217.826
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: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2417.238303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.238303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.199469 (E_RNA)
where:
Base-Base interactions energy: -1650.468
where: short stacking energy: -707.777
Base-Backbone interact. energy: -3.451
local terms energy: -766.280032
where:
bonds (distance) C4'-P energy: -147.126
bonds (distance) P-C4' energy: -149.477
flat angles C4'-P-C4' energy: -164.716
flat angles P-C4'-P energy: -95.115
tors. eta vs tors. theta energy: -209.847
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2329.678598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.678598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.759785 (E_RNA)
where:
Base-Base interactions energy: -1598.778
where: short stacking energy: -676.209
Base-Backbone interact. energy: -2.970
local terms energy: -729.011161
where:
bonds (distance) C4'-P energy: -138.681
bonds (distance) P-C4' energy: -146.757
flat angles C4'-P-C4' energy: -159.530
flat angles P-C4'-P energy: -94.664
tors. eta vs tors. theta energy: -189.379
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2216.257357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.257357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.497534 (E_RNA)
where:
Base-Base interactions energy: -1519.003
where: short stacking energy: -636.398
Base-Backbone interact. energy: -0.341
local terms energy: -698.153531
where:
bonds (distance) C4'-P energy: -147.929
bonds (distance) P-C4' energy: -133.990
flat angles C4'-P-C4' energy: -163.975
flat angles P-C4'-P energy: -89.985
tors. eta vs tors. theta energy: -162.274
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: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2046.807522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.807522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.838930 (E_RNA)
where:
Base-Base interactions energy: -1361.529
where: short stacking energy: -580.250
Base-Backbone interact. energy: -1.883
local terms energy: -685.426450
where:
bonds (distance) C4'-P energy: -133.244
bonds (distance) P-C4' energy: -154.818
flat angles C4'-P-C4' energy: -147.360
flat angles P-C4'-P energy: -97.173
tors. eta vs tors. theta energy: -152.831
Dist. restrs. and SS energy: 2.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1991.025517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.025517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.295806 (E_RNA)
where:
Base-Base interactions energy: -1353.623
where: short stacking energy: -584.430
Base-Backbone interact. energy: -0.381
local terms energy: -640.291298
where:
bonds (distance) C4'-P energy: -134.766
bonds (distance) P-C4' energy: -107.653
flat angles C4'-P-C4' energy: -148.642
flat angles P-C4'-P energy: -118.157
tors. eta vs tors. theta energy: -131.073
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: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1911.218811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.218811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.150290 (E_RNA)
where:
Base-Base interactions energy: -1318.596
where: short stacking energy: -522.603
Base-Backbone interact. energy: -1.308
local terms energy: -593.246441
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -130.775
flat angles C4'-P-C4' energy: -119.788
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -139.320
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: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1867.720518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.720518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.320045 (E_RNA)
where:
Base-Base interactions energy: -1292.283
where: short stacking energy: -561.520
Base-Backbone interact. energy: -2.480
local terms energy: -574.556676
where:
bonds (distance) C4'-P energy: -134.207
bonds (distance) P-C4' energy: -117.470
flat angles C4'-P-C4' energy: -124.898
flat angles P-C4'-P energy: -71.561
tors. eta vs tors. theta energy: -126.422
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2861.210038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.210038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.691960 (E_RNA)
where:
Base-Base interactions energy: -1976.614
where: short stacking energy: -835.562
Base-Backbone interact. energy: -2.687
local terms energy: -883.390738
where:
bonds (distance) C4'-P energy: -158.564
bonds (distance) P-C4' energy: -150.714
flat angles C4'-P-C4' energy: -186.337
flat angles P-C4'-P energy: -140.614
tors. eta vs tors. theta energy: -247.162
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: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2785.410139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.410139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.225668 (E_RNA)
where:
Base-Base interactions energy: -1939.319
where: short stacking energy: -793.945
Base-Backbone interact. energy: 1.020
local terms energy: -849.926788
where:
bonds (distance) C4'-P energy: -159.042
bonds (distance) P-C4' energy: -166.206
flat angles C4'-P-C4' energy: -190.533
flat angles P-C4'-P energy: -105.341
tors. eta vs tors. theta energy: -228.805
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2679.672764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.672764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.662649 (E_RNA)
where:
Base-Base interactions energy: -1893.345
where: short stacking energy: -780.311
Base-Backbone interact. energy: -3.741
local terms energy: -783.576414
where:
bonds (distance) C4'-P energy: -127.183
bonds (distance) P-C4' energy: -138.634
flat angles C4'-P-C4' energy: -189.648
flat angles P-C4'-P energy: -107.169
tors. eta vs tors. theta energy: -220.943
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: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2440.200941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.200941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.540517 (E_RNA)
where:
Base-Base interactions energy: -1679.831
where: short stacking energy: -733.705
Base-Backbone interact. energy: 5.128
local terms energy: -767.837215
where:
bonds (distance) C4'-P energy: -143.627
bonds (distance) P-C4' energy: -144.161
flat angles C4'-P-C4' energy: -173.479
flat angles P-C4'-P energy: -102.425
tors. eta vs tors. theta energy: -204.145
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2258.792615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.792615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.007057 (E_RNA)
where:
Base-Base interactions energy: -1519.643
where: short stacking energy: -655.739
Base-Backbone interact. energy: -4.551
local terms energy: -736.813209
where:
bonds (distance) C4'-P energy: -138.929
bonds (distance) P-C4' energy: -140.849
flat angles C4'-P-C4' energy: -165.376
flat angles P-C4'-P energy: -110.616
tors. eta vs tors. theta energy: -181.043
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: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2210.608549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.608549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.204557 (E_RNA)
where:
Base-Base interactions energy: -1499.102
where: short stacking energy: -631.449
Base-Backbone interact. energy: 5.322
local terms energy: -719.424663
where:
bonds (distance) C4'-P energy: -121.504
bonds (distance) P-C4' energy: -156.196
flat angles C4'-P-C4' energy: -160.112
flat angles P-C4'-P energy: -104.804
tors. eta vs tors. theta energy: -176.808
Dist. restrs. and SS energy: 2.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2051.965874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.965874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.239627 (E_RNA)
where:
Base-Base interactions energy: -1386.341
where: short stacking energy: -595.495
Base-Backbone interact. energy: -1.973
local terms energy: -665.925986
where:
bonds (distance) C4'-P energy: -123.507
bonds (distance) P-C4' energy: -133.354
flat angles C4'-P-C4' energy: -153.252
flat angles P-C4'-P energy: -106.697
tors. eta vs tors. theta energy: -149.117
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2028.455186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.455186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.147759 (E_RNA)
where:
Base-Base interactions energy: -1369.319
where: short stacking energy: -601.879
Base-Backbone interact. energy: -2.550
local terms energy: -659.278738
where:
bonds (distance) C4'-P energy: -118.916
bonds (distance) P-C4' energy: -125.122
flat angles C4'-P-C4' energy: -158.400
flat angles P-C4'-P energy: -103.965
tors. eta vs tors. theta energy: -152.875
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1916.196163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.196163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.207200 (E_RNA)
where:
Base-Base interactions energy: -1307.552
where: short stacking energy: -531.427
Base-Backbone interact. energy: 5.247
local terms energy: -615.903124
where:
bonds (distance) C4'-P energy: -112.493
bonds (distance) P-C4' energy: -122.077
flat angles C4'-P-C4' energy: -140.996
flat angles P-C4'-P energy: -102.580
tors. eta vs tors. theta energy: -137.757
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: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1863.369079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.369079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.813596 (E_RNA)
where:
Base-Base interactions energy: -1264.503
where: short stacking energy: -532.577
Base-Backbone interact. energy: -0.575
local terms energy: -600.735751
where:
bonds (distance) C4'-P energy: -132.625
bonds (distance) P-C4' energy: -131.007
flat angles C4'-P-C4' energy: -134.850
flat angles P-C4'-P energy: -76.660
tors. eta vs tors. theta energy: -125.594
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: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2887.772581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.772581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.586114 (E_RNA)
where:
Base-Base interactions energy: -1998.761
where: short stacking energy: -840.017
Base-Backbone interact. energy: -2.633
local terms energy: -887.191770
where:
bonds (distance) C4'-P energy: -164.683
bonds (distance) P-C4' energy: -150.728
flat angles C4'-P-C4' energy: -194.603
flat angles P-C4'-P energy: -128.430
tors. eta vs tors. theta energy: -248.748
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2808.525137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.525137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.225328 (E_RNA)
where:
Base-Base interactions energy: -1964.397
where: short stacking energy: -813.097
Base-Backbone interact. energy: 1.636
local terms energy: -847.465004
where:
bonds (distance) C4'-P energy: -145.765
bonds (distance) P-C4' energy: -152.020
flat angles C4'-P-C4' energy: -187.880
flat angles P-C4'-P energy: -121.840
tors. eta vs tors. theta energy: -239.960
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2652.680188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.680188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.297180 (E_RNA)
where:
Base-Base interactions energy: -1857.606
where: short stacking energy: -742.341
Base-Backbone interact. energy: 3.177
local terms energy: -800.868727
where:
bonds (distance) C4'-P energy: -163.179
bonds (distance) P-C4' energy: -150.777
flat angles C4'-P-C4' energy: -173.949
flat angles P-C4'-P energy: -96.797
tors. eta vs tors. theta energy: -216.168
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: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2437.874712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.874712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.952277 (E_RNA)
where:
Base-Base interactions energy: -1646.400
where: short stacking energy: -714.894
Base-Backbone interact. energy: -0.396
local terms energy: -793.156487
where:
bonds (distance) C4'-P energy: -154.796
bonds (distance) P-C4' energy: -149.813
flat angles C4'-P-C4' energy: -181.038
flat angles P-C4'-P energy: -110.987
tors. eta vs tors. theta energy: -196.523
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2307.008571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.008571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.532946 (E_RNA)
where:
Base-Base interactions energy: -1531.172
where: short stacking energy: -677.925
Base-Backbone interact. energy: 3.598
local terms energy: -780.958194
where:
bonds (distance) C4'-P energy: -148.453
bonds (distance) P-C4' energy: -165.713
flat angles C4'-P-C4' energy: -170.988
flat angles P-C4'-P energy: -108.417
tors. eta vs tors. theta energy: -187.388
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: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2299.231051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.231051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.904484 (E_RNA)
where:
Base-Base interactions energy: -1575.998
where: short stacking energy: -665.859
Base-Backbone interact. energy: 0.966
local terms energy: -725.871604
where:
bonds (distance) C4'-P energy: -143.217
bonds (distance) P-C4' energy: -135.439
flat angles C4'-P-C4' energy: -170.635
flat angles P-C4'-P energy: -98.768
tors. eta vs tors. theta energy: -177.813
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: 264
Temperature: 1.200000
Total energy: -2111.812330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.812330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.822981 (E_RNA)
where:
Base-Base interactions energy: -1416.076
where: short stacking energy: -599.890
Base-Backbone interact. energy: -0.046
local terms energy: -698.700732
where:
bonds (distance) C4'-P energy: -146.195
bonds (distance) P-C4' energy: -139.034
flat angles C4'-P-C4' energy: -151.754
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -168.876
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: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2034.816662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.816662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.342303 (E_RNA)
where:
Base-Base interactions energy: -1363.030
where: short stacking energy: -577.140
Base-Backbone interact. energy: 0.295
local terms energy: -674.606880
where:
bonds (distance) C4'-P energy: -141.097
bonds (distance) P-C4' energy: -127.955
flat angles C4'-P-C4' energy: -142.986
flat angles P-C4'-P energy: -99.604
tors. eta vs tors. theta energy: -162.965
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: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1930.497604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.497604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.379255 (E_RNA)
where:
Base-Base interactions energy: -1300.146
where: short stacking energy: -550.205
Base-Backbone interact. energy: -2.062
local terms energy: -631.171928
where:
bonds (distance) C4'-P energy: -137.675
bonds (distance) P-C4' energy: -117.471
flat angles C4'-P-C4' energy: -139.367
flat angles P-C4'-P energy: -89.412
tors. eta vs tors. theta energy: -147.247
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1873.605870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.605870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.084520 (E_RNA)
where:
Base-Base interactions energy: -1266.375
where: short stacking energy: -541.423
Base-Backbone interact. energy: -2.276
local terms energy: -610.433614
where:
bonds (distance) C4'-P energy: -128.867
bonds (distance) P-C4' energy: -126.178
flat angles C4'-P-C4' energy: -133.069
flat angles P-C4'-P energy: -84.053
tors. eta vs tors. theta energy: -138.266
Dist. restrs. and SS energy: 5.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2872.959480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.959480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.437303 (E_RNA)
where:
Base-Base interactions energy: -2003.286
where: short stacking energy: -813.366
Base-Backbone interact. energy: -7.295
local terms energy: -863.856116
where:
bonds (distance) C4'-P energy: -159.034
bonds (distance) P-C4' energy: -169.597
flat angles C4'-P-C4' energy: -179.170
flat angles P-C4'-P energy: -119.251
tors. eta vs tors. theta energy: -236.805
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2776.820631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.820631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.587615 (E_RNA)
where:
Base-Base interactions energy: -1961.103
where: short stacking energy: -808.637
Base-Backbone interact. energy: 0.157
local terms energy: -819.641112
where:
bonds (distance) C4'-P energy: -147.585
bonds (distance) P-C4' energy: -134.191
flat angles C4'-P-C4' energy: -176.078
flat angles P-C4'-P energy: -129.838
tors. eta vs tors. theta energy: -231.949
Dist. restrs. and SS energy: 3.767 (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: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2716.724808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.724808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.972065 (E_RNA)
where:
Base-Base interactions energy: -1897.846
where: short stacking energy: -783.737
Base-Backbone interact. energy: -2.853
local terms energy: -817.273445
where:
bonds (distance) C4'-P energy: -134.022
bonds (distance) P-C4' energy: -156.745
flat angles C4'-P-C4' energy: -182.566
flat angles P-C4'-P energy: -122.151
tors. eta vs tors. theta energy: -221.789
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2478.822032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.822032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.123621 (E_RNA)
where:
Base-Base interactions energy: -1705.283
where: short stacking energy: -713.807
Base-Backbone interact. energy: -1.647
local terms energy: -773.192833
where:
bonds (distance) C4'-P energy: -148.534
bonds (distance) P-C4' energy: -152.780
flat angles C4'-P-C4' energy: -163.370
flat angles P-C4'-P energy: -97.539
tors. eta vs tors. theta energy: -210.971
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2280.609354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.609354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.719691 (E_RNA)
where:
Base-Base interactions energy: -1552.481
where: short stacking energy: -668.960
Base-Backbone interact. energy: 1.095
local terms energy: -731.333184
where:
bonds (distance) C4'-P energy: -143.412
bonds (distance) P-C4' energy: -148.153
flat angles C4'-P-C4' energy: -153.621
flat angles P-C4'-P energy: -103.257
tors. eta vs tors. theta energy: -182.890
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2177.623931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.623931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.631949 (E_RNA)
where:
Base-Base interactions energy: -1468.744
where: short stacking energy: -628.700
Base-Backbone interact. energy: -2.736
local terms energy: -708.151874
where:
bonds (distance) C4'-P energy: -114.208
bonds (distance) P-C4' energy: -140.319
flat angles C4'-P-C4' energy: -166.712
flat angles P-C4'-P energy: -109.628
tors. eta vs tors. theta energy: -177.284
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2170.022073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.022073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.503722 (E_RNA)
where:
Base-Base interactions energy: -1500.147
where: short stacking energy: -634.738
Base-Backbone interact. energy: -5.614
local terms energy: -665.742440
where:
bonds (distance) C4'-P energy: -129.680
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -147.567
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -167.578
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: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2036.444469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.444469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.193163 (E_RNA)
where:
Base-Base interactions energy: -1380.432
where: short stacking energy: -594.604
Base-Backbone interact. energy: 1.419
local terms energy: -662.180661
where:
bonds (distance) C4'-P energy: -117.313
bonds (distance) P-C4' energy: -142.165
flat angles C4'-P-C4' energy: -153.012
flat angles P-C4'-P energy: -83.876
tors. eta vs tors. theta energy: -165.815
Dist. restrs. and SS energy: 4.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2001.285344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.285344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.141823 (E_RNA)
where:
Base-Base interactions energy: -1354.034
where: short stacking energy: -561.517
Base-Backbone interact. energy: 0.451
local terms energy: -649.558836
where:
bonds (distance) C4'-P energy: -144.409
bonds (distance) P-C4' energy: -120.191
flat angles C4'-P-C4' energy: -153.908
flat angles P-C4'-P energy: -86.730
tors. eta vs tors. theta energy: -144.321
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: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1897.443754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.443754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.258537 (E_RNA)
where:
Base-Base interactions energy: -1268.267
where: short stacking energy: -542.873
Base-Backbone interact. energy: -1.212
local terms energy: -632.779799
where:
bonds (distance) C4'-P energy: -123.660
bonds (distance) P-C4' energy: -132.501
flat angles C4'-P-C4' energy: -142.030
flat angles P-C4'-P energy: -84.695
tors. eta vs tors. theta energy: -149.893
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: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2840.653336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.653336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.107523 (E_RNA)
where:
Base-Base interactions energy: -1957.651
where: short stacking energy: -806.453
Base-Backbone interact. energy: -1.134
local terms energy: -883.322980
where:
bonds (distance) C4'-P energy: -158.418
bonds (distance) P-C4' energy: -168.036
flat angles C4'-P-C4' energy: -191.654
flat angles P-C4'-P energy: -128.926
tors. eta vs tors. theta energy: -236.289
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: 266
Temperature: 0.950000
Total energy: -2756.879238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.879238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.037993 (E_RNA)
where:
Base-Base interactions energy: -1920.065
where: short stacking energy: -788.347
Base-Backbone interact. energy: 0.243
local terms energy: -839.216386
where:
bonds (distance) C4'-P energy: -149.794
bonds (distance) P-C4' energy: -163.546
flat angles C4'-P-C4' energy: -179.525
flat angles P-C4'-P energy: -131.213
tors. eta vs tors. theta energy: -215.137
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: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2684.805567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.805567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.973126 (E_RNA)
where:
Base-Base interactions energy: -1857.538
where: short stacking energy: -786.399
Base-Backbone interact. energy: -3.397
local terms energy: -827.038344
where:
bonds (distance) C4'-P energy: -184.551
bonds (distance) P-C4' energy: -140.046
flat angles C4'-P-C4' energy: -170.840
flat angles P-C4'-P energy: -98.856
tors. eta vs tors. theta energy: -232.745
Dist. restrs. and SS energy: 3.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2471.009311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.009311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.860771 (E_RNA)
where:
Base-Base interactions energy: -1676.383
where: short stacking energy: -727.771
Base-Backbone interact. energy: -1.511
local terms energy: -794.967430
where:
bonds (distance) C4'-P energy: -142.424
bonds (distance) P-C4' energy: -158.087
flat angles C4'-P-C4' energy: -173.344
flat angles P-C4'-P energy: -116.683
tors. eta vs tors. theta energy: -204.430
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: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2309.616933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.616933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.620789 (E_RNA)
where:
Base-Base interactions energy: -1562.757
where: short stacking energy: -655.897
Base-Backbone interact. energy: 1.993
local terms energy: -751.856746
where:
bonds (distance) C4'-P energy: -150.169
bonds (distance) P-C4' energy: -147.050
flat angles C4'-P-C4' energy: -164.858
flat angles P-C4'-P energy: -106.346
tors. eta vs tors. theta energy: -183.434
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2182.828963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.828963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.124837 (E_RNA)
where:
Base-Base interactions energy: -1501.284
where: short stacking energy: -651.028
Base-Backbone interact. energy: 8.408
local terms energy: -691.248999
where:
bonds (distance) C4'-P energy: -135.210
bonds (distance) P-C4' energy: -152.084
flat angles C4'-P-C4' energy: -135.840
flat angles P-C4'-P energy: -95.744
tors. eta vs tors. theta energy: -172.371
Dist. restrs. and SS energy: 1.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2167.095432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.095432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.101665 (E_RNA)
where:
Base-Base interactions energy: -1491.060
where: short stacking energy: -638.855
Base-Backbone interact. energy: -1.770
local terms energy: -679.271623
where:
bonds (distance) C4'-P energy: -127.147
bonds (distance) P-C4' energy: -140.200
flat angles C4'-P-C4' energy: -154.403
flat angles P-C4'-P energy: -99.852
tors. eta vs tors. theta energy: -157.669
Dist. restrs. and SS energy: 5.006 (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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -2017.274615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.274615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.574284 (E_RNA)
where:
Base-Base interactions energy: -1375.820
where: short stacking energy: -578.203
Base-Backbone interact. energy: -1.528
local terms energy: -644.226458
where:
bonds (distance) C4'-P energy: -108.610
bonds (distance) P-C4' energy: -122.790
flat angles C4'-P-C4' energy: -145.093
flat angles P-C4'-P energy: -104.753
tors. eta vs tors. theta energy: -162.980
Dist. restrs. and SS energy: 4.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1974.600536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.600536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.274758 (E_RNA)
where:
Base-Base interactions energy: -1324.857
where: short stacking energy: -560.042
Base-Backbone interact. energy: -0.305
local terms energy: -653.112657
where:
bonds (distance) C4'-P energy: -134.343
bonds (distance) P-C4' energy: -143.026
flat angles C4'-P-C4' energy: -135.653
flat angles P-C4'-P energy: -86.857
tors. eta vs tors. theta energy: -153.234
Dist. restrs. and SS energy: 3.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1829.282687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.282687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.533734 (E_RNA)
where:
Base-Base interactions energy: -1249.741
where: short stacking energy: -521.624
Base-Backbone interact. energy: 0.723
local terms energy: -583.515917
where:
bonds (distance) C4'-P energy: -118.748
bonds (distance) P-C4' energy: -126.794
flat angles C4'-P-C4' energy: -126.882
flat angles P-C4'-P energy: -93.414
tors. eta vs tors. theta energy: -117.678
Dist. restrs. and SS energy: 3.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2846.625960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.625960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.819350 (E_RNA)
where:
Base-Base interactions energy: -1978.853
where: short stacking energy: -819.460
Base-Backbone interact. energy: -2.676
local terms energy: -866.290340
where:
bonds (distance) C4'-P energy: -144.371
bonds (distance) P-C4' energy: -166.736
flat angles C4'-P-C4' energy: -179.840
flat angles P-C4'-P energy: -132.357
tors. eta vs tors. theta energy: -242.987
Dist. restrs. and SS energy: 1.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2797.120709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.120709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.468409 (E_RNA)
where:
Base-Base interactions energy: -1961.040
where: short stacking energy: -791.517
Base-Backbone interact. energy: -0.967
local terms energy: -836.460879
where:
bonds (distance) C4'-P energy: -153.618
bonds (distance) P-C4' energy: -165.176
flat angles C4'-P-C4' energy: -175.109
flat angles P-C4'-P energy: -112.236
tors. eta vs tors. theta energy: -230.323
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2691.619775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.619775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.896760 (E_RNA)
where:
Base-Base interactions energy: -1868.074
where: short stacking energy: -759.913
Base-Backbone interact. energy: 4.511
local terms energy: -830.333522
where:
bonds (distance) C4'-P energy: -148.693
bonds (distance) P-C4' energy: -171.684
flat angles C4'-P-C4' energy: -178.155
flat angles P-C4'-P energy: -114.573
tors. eta vs tors. theta energy: -217.229
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: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2484.623935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.623935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.842769 (E_RNA)
where:
Base-Base interactions energy: -1705.230
where: short stacking energy: -713.613
Base-Backbone interact. energy: -5.663
local terms energy: -776.949339
where:
bonds (distance) C4'-P energy: -141.771
bonds (distance) P-C4' energy: -161.398
flat angles C4'-P-C4' energy: -171.615
flat angles P-C4'-P energy: -103.404
tors. eta vs tors. theta energy: -198.762
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2329.420361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.420361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.732179 (E_RNA)
where:
Base-Base interactions energy: -1569.965
where: short stacking energy: -686.670
Base-Backbone interact. energy: -5.381
local terms energy: -755.386192
where:
bonds (distance) C4'-P energy: -138.154
bonds (distance) P-C4' energy: -146.886
flat angles C4'-P-C4' energy: -170.343
flat angles P-C4'-P energy: -108.973
tors. eta vs tors. theta energy: -191.029
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: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2184.663517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.663517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.188556 (E_RNA)
where:
Base-Base interactions energy: -1487.877
where: short stacking energy: -643.246
Base-Backbone interact. energy: 6.916
local terms energy: -705.227852
where:
bonds (distance) C4'-P energy: -124.906
bonds (distance) P-C4' energy: -143.316
flat angles C4'-P-C4' energy: -161.874
flat angles P-C4'-P energy: -103.965
tors. eta vs tors. theta energy: -171.167
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2140.443514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.443514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.375379 (E_RNA)
where:
Base-Base interactions energy: -1468.404
where: short stacking energy: -593.004
Base-Backbone interact. energy: -0.884
local terms energy: -673.087838
where:
bonds (distance) C4'-P energy: -122.174
bonds (distance) P-C4' energy: -131.229
flat angles C4'-P-C4' energy: -158.146
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -159.142
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: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2043.465039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.465039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.487568 (E_RNA)
where:
Base-Base interactions energy: -1384.128
where: short stacking energy: -575.712
Base-Backbone interact. energy: 3.732
local terms energy: -665.092065
where:
bonds (distance) C4'-P energy: -125.680
bonds (distance) P-C4' energy: -129.115
flat angles C4'-P-C4' energy: -144.170
flat angles P-C4'-P energy: -110.647
tors. eta vs tors. theta energy: -155.480
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: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1977.592014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.592014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.932089 (E_RNA)
where:
Base-Base interactions energy: -1326.937
where: short stacking energy: -575.351
Base-Backbone interact. energy: -5.203
local terms energy: -647.791888
where:
bonds (distance) C4'-P energy: -136.965
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -129.552
flat angles P-C4'-P energy: -92.233
tors. eta vs tors. theta energy: -142.550
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: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1870.426014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.426014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.551689 (E_RNA)
where:
Base-Base interactions energy: -1279.749
where: short stacking energy: -535.534
Base-Backbone interact. energy: -2.386
local terms energy: -592.416464
where:
bonds (distance) C4'-P energy: -100.718
bonds (distance) P-C4' energy: -133.463
flat angles C4'-P-C4' energy: -127.764
flat angles P-C4'-P energy: -85.649
tors. eta vs tors. theta energy: -144.822
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: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2852.905595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.905595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.419833 (E_RNA)
where:
Base-Base interactions energy: -1983.243
where: short stacking energy: -834.643
Base-Backbone interact. energy: -4.542
local terms energy: -866.634938
where:
bonds (distance) C4'-P energy: -151.359
bonds (distance) P-C4' energy: -159.554
flat angles C4'-P-C4' energy: -185.594
flat angles P-C4'-P energy: -117.738
tors. eta vs tors. theta energy: -252.390
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2836.669279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.669279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.017446 (E_RNA)
where:
Base-Base interactions energy: -1991.016
where: short stacking energy: -812.602
Base-Backbone interact. energy: -4.106
local terms energy: -842.895550
where:
bonds (distance) C4'-P energy: -151.324
bonds (distance) P-C4' energy: -160.714
flat angles C4'-P-C4' energy: -171.731
flat angles P-C4'-P energy: -126.219
tors. eta vs tors. theta energy: -232.908
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2672.871517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.871517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.687144 (E_RNA)
where:
Base-Base interactions energy: -1869.397
where: short stacking energy: -789.332
Base-Backbone interact. energy: 6.160
local terms energy: -811.449374
where:
bonds (distance) C4'-P energy: -154.460
bonds (distance) P-C4' energy: -156.139
flat angles C4'-P-C4' energy: -171.705
flat angles P-C4'-P energy: -101.599
tors. eta vs tors. theta energy: -227.547
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2484.482952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.482952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.355654 (E_RNA)
where:
Base-Base interactions energy: -1717.190
where: short stacking energy: -745.889
Base-Backbone interact. energy: 0.260
local terms energy: -769.425385
where:
bonds (distance) C4'-P energy: -148.911
bonds (distance) P-C4' energy: -139.598
flat angles C4'-P-C4' energy: -161.165
flat angles P-C4'-P energy: -111.498
tors. eta vs tors. theta energy: -208.253
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: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2303.254475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.254475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.604328 (E_RNA)
where:
Base-Base interactions energy: -1550.320
where: short stacking energy: -680.431
Base-Backbone interact. energy: -2.470
local terms energy: -753.814045
where:
bonds (distance) C4'-P energy: -139.564
bonds (distance) P-C4' energy: -148.148
flat angles C4'-P-C4' energy: -151.693
flat angles P-C4'-P energy: -117.026
tors. eta vs tors. theta energy: -197.383
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: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2161.493360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.493360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.187528 (E_RNA)
where:
Base-Base interactions energy: -1457.235
where: short stacking energy: -632.797
Base-Backbone interact. energy: 4.383
local terms energy: -711.336048
where:
bonds (distance) C4'-P energy: -151.419
bonds (distance) P-C4' energy: -142.945
flat angles C4'-P-C4' energy: -156.521
flat angles P-C4'-P energy: -94.153
tors. eta vs tors. theta energy: -166.297
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2166.253899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.253899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.174320 (E_RNA)
where:
Base-Base interactions energy: -1479.413
where: short stacking energy: -622.435
Base-Backbone interact. energy: -3.489
local terms energy: -687.272116
where:
bonds (distance) C4'-P energy: -116.140
bonds (distance) P-C4' energy: -150.175
flat angles C4'-P-C4' energy: -163.663
flat angles P-C4'-P energy: -92.096
tors. eta vs tors. theta energy: -165.198
Dist. restrs. and SS energy: 3.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1989.574791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.574791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.009633 (E_RNA)
where:
Base-Base interactions energy: -1351.888
where: short stacking energy: -559.565
Base-Backbone interact. energy: -1.436
local terms energy: -638.685424
where:
bonds (distance) C4'-P energy: -126.652
bonds (distance) P-C4' energy: -123.513
flat angles C4'-P-C4' energy: -154.115
flat angles P-C4'-P energy: -97.086
tors. eta vs tors. theta energy: -137.321
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -2009.035044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.035044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.122522 (E_RNA)
where:
Base-Base interactions energy: -1335.138
where: short stacking energy: -554.297
Base-Backbone interact. energy: -7.696
local terms energy: -668.289321
where:
bonds (distance) C4'-P energy: -149.323
bonds (distance) P-C4' energy: -127.913
flat angles C4'-P-C4' energy: -144.753
flat angles P-C4'-P energy: -96.398
tors. eta vs tors. theta energy: -149.903
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: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1832.818569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.818569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.808904 (E_RNA)
where:
Base-Base interactions energy: -1268.047
where: short stacking energy: -526.517
Base-Backbone interact. energy: -2.120
local terms energy: -566.642417
where:
bonds (distance) C4'-P energy: -122.001
bonds (distance) P-C4' energy: -115.692
flat angles C4'-P-C4' energy: -120.168
flat angles P-C4'-P energy: -78.350
tors. eta vs tors. theta energy: -130.432
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2873.083240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.083240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.044645 (E_RNA)
where:
Base-Base interactions energy: -1989.745
where: short stacking energy: -828.596
Base-Backbone interact. energy: -5.065
local terms energy: -880.235338
where:
bonds (distance) C4'-P energy: -164.782
bonds (distance) P-C4' energy: -168.231
flat angles C4'-P-C4' energy: -181.855
flat angles P-C4'-P energy: -115.913
tors. eta vs tors. theta energy: -249.456
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2825.161260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.161260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.567685 (E_RNA)
where:
Base-Base interactions energy: -1958.602
where: short stacking energy: -807.095
Base-Backbone interact. energy: -6.540
local terms energy: -861.425658
where:
bonds (distance) C4'-P energy: -146.521
bonds (distance) P-C4' energy: -164.208
flat angles C4'-P-C4' energy: -186.380
flat angles P-C4'-P energy: -122.701
tors. eta vs tors. theta energy: -241.616
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: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2647.459759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.459759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.739808 (E_RNA)
where:
Base-Base interactions energy: -1839.647
where: short stacking energy: -762.036
Base-Backbone interact. energy: -3.181
local terms energy: -806.912427
where:
bonds (distance) C4'-P energy: -161.509
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -162.617
flat angles P-C4'-P energy: -116.143
tors. eta vs tors. theta energy: -227.047
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2488.633904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.633904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.366411 (E_RNA)
where:
Base-Base interactions energy: -1724.951
where: short stacking energy: -728.147
Base-Backbone interact. energy: -0.255
local terms energy: -766.160518
where:
bonds (distance) C4'-P energy: -139.894
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -169.220
flat angles P-C4'-P energy: -107.100
tors. eta vs tors. theta energy: -200.835
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: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2342.252133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.252133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.021669 (E_RNA)
where:
Base-Base interactions energy: -1588.381
where: short stacking energy: -668.862
Base-Backbone interact. energy: 4.402
local terms energy: -761.042581
where:
bonds (distance) C4'-P energy: -138.715
bonds (distance) P-C4' energy: -143.855
flat angles C4'-P-C4' energy: -171.653
flat angles P-C4'-P energy: -120.773
tors. eta vs tors. theta energy: -186.047
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: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2291.690730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.690730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.169377 (E_RNA)
where:
Base-Base interactions energy: -1568.731
where: short stacking energy: -646.018
Base-Backbone interact. energy: -2.890
local terms energy: -722.547639
where:
bonds (distance) C4'-P energy: -129.403
bonds (distance) P-C4' energy: -145.944
flat angles C4'-P-C4' energy: -168.454
flat angles P-C4'-P energy: -95.016
tors. eta vs tors. theta energy: -183.731
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: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2105.506341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.506341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.730472 (E_RNA)
where:
Base-Base interactions energy: -1421.062
where: short stacking energy: -617.177
Base-Backbone interact. energy: 5.806
local terms energy: -692.474386
where:
bonds (distance) C4'-P energy: -145.571
bonds (distance) P-C4' energy: -134.966
flat angles C4'-P-C4' energy: -158.630
flat angles P-C4'-P energy: -87.615
tors. eta vs tors. theta energy: -165.693
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2070.151404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.151404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.429637 (E_RNA)
where:
Base-Base interactions energy: -1406.526
where: short stacking energy: -591.944
Base-Backbone interact. energy: -3.064
local terms energy: -662.839194
where:
bonds (distance) C4'-P energy: -132.053
bonds (distance) P-C4' energy: -136.342
flat angles C4'-P-C4' energy: -143.914
flat angles P-C4'-P energy: -90.351
tors. eta vs tors. theta energy: -160.179
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: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1970.379154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.379154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.831181 (E_RNA)
where:
Base-Base interactions energy: -1330.956
where: short stacking energy: -575.164
Base-Backbone interact. energy: 0.838
local terms energy: -642.713864
where:
bonds (distance) C4'-P energy: -126.076
bonds (distance) P-C4' energy: -139.476
flat angles C4'-P-C4' energy: -127.330
flat angles P-C4'-P energy: -89.844
tors. eta vs tors. theta energy: -159.987
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: 269
Temperature: 1.350000
Total energy: -1841.432730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.432730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.979328 (E_RNA)
where:
Base-Base interactions energy: -1248.226
where: short stacking energy: -535.669
Base-Backbone interact. energy: 1.775
local terms energy: -601.528469
where:
bonds (distance) C4'-P energy: -119.619
bonds (distance) P-C4' energy: -122.039
flat angles C4'-P-C4' energy: -142.544
flat angles P-C4'-P energy: -81.176
tors. eta vs tors. theta energy: -136.151
Dist. restrs. and SS energy: 6.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2873.769288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.769288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.448871 (E_RNA)
where:
Base-Base interactions energy: -1968.045
where: short stacking energy: -838.986
Base-Backbone interact. energy: -3.547
local terms energy: -903.856861
where:
bonds (distance) C4'-P energy: -172.444
bonds (distance) P-C4' energy: -165.361
flat angles C4'-P-C4' energy: -188.173
flat angles P-C4'-P energy: -126.921
tors. eta vs tors. theta energy: -250.959
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: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2809.511458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.511458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.974442 (E_RNA)
where:
Base-Base interactions energy: -1967.799
where: short stacking energy: -809.552
Base-Backbone interact. energy: -5.164
local terms energy: -839.011909
where:
bonds (distance) C4'-P energy: -152.707
bonds (distance) P-C4' energy: -148.537
flat angles C4'-P-C4' energy: -182.090
flat angles P-C4'-P energy: -118.267
tors. eta vs tors. theta energy: -237.411
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: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2662.597438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.597438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.170863 (E_RNA)
where:
Base-Base interactions energy: -1845.211
where: short stacking energy: -769.668
Base-Backbone interact. energy: 5.610
local terms energy: -825.569193
where:
bonds (distance) C4'-P energy: -146.861
bonds (distance) P-C4' energy: -153.630
flat angles C4'-P-C4' energy: -179.494
flat angles P-C4'-P energy: -120.770
tors. eta vs tors. theta energy: -224.814
Dist. restrs. and SS energy: 2.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2492.974578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.974578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.372005 (E_RNA)
where:
Base-Base interactions energy: -1703.277
where: short stacking energy: -740.212
Base-Backbone interact. energy: 2.685
local terms energy: -795.780166
where:
bonds (distance) C4'-P energy: -157.883
bonds (distance) P-C4' energy: -135.430
flat angles C4'-P-C4' energy: -164.441
flat angles P-C4'-P energy: -123.659
tors. eta vs tors. theta energy: -214.366
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2383.747532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.747532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.186186 (E_RNA)
where:
Base-Base interactions energy: -1607.193
where: short stacking energy: -693.643
Base-Backbone interact. energy: -2.397
local terms energy: -776.596405
where:
bonds (distance) C4'-P energy: -142.477
bonds (distance) P-C4' energy: -153.250
flat angles C4'-P-C4' energy: -167.884
flat angles P-C4'-P energy: -118.862
tors. eta vs tors. theta energy: -194.123
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: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2273.192583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.192583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.722639 (E_RNA)
where:
Base-Base interactions energy: -1570.995
where: short stacking energy: -652.968
Base-Backbone interact. energy: -0.052
local terms energy: -703.675373
where:
bonds (distance) C4'-P energy: -148.622
bonds (distance) P-C4' energy: -139.318
flat angles C4'-P-C4' energy: -147.899
flat angles P-C4'-P energy: -103.587
tors. eta vs tors. theta energy: -164.249
Dist. restrs. and SS energy: 1.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2120.474460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.474460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.887787 (E_RNA)
where:
Base-Base interactions energy: -1402.661
where: short stacking energy: -624.642
Base-Backbone interact. energy: 1.234
local terms energy: -723.460078
where:
bonds (distance) C4'-P energy: -162.418
bonds (distance) P-C4' energy: -138.750
flat angles C4'-P-C4' energy: -146.545
flat angles P-C4'-P energy: -111.683
tors. eta vs tors. theta energy: -164.063
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2008.616561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.616561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.694000 (E_RNA)
where:
Base-Base interactions energy: -1342.901
where: short stacking energy: -591.323
Base-Backbone interact. energy: 1.000
local terms energy: -670.793368
where:
bonds (distance) C4'-P energy: -127.221
bonds (distance) P-C4' energy: -126.064
flat angles C4'-P-C4' energy: -153.822
flat angles P-C4'-P energy: -102.637
tors. eta vs tors. theta energy: -161.049
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: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1997.150070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.150070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.604815 (E_RNA)
where:
Base-Base interactions energy: -1340.944
where: short stacking energy: -566.299
Base-Backbone interact. energy: -3.174
local terms energy: -654.486281
where:
bonds (distance) C4'-P energy: -127.873
bonds (distance) P-C4' energy: -121.290
flat angles C4'-P-C4' energy: -166.481
flat angles P-C4'-P energy: -91.723
tors. eta vs tors. theta energy: -147.118
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: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1864.631372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.631372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.706188 (E_RNA)
where:
Base-Base interactions energy: -1255.112
where: short stacking energy: -526.182
Base-Backbone interact. energy: -1.941
local terms energy: -611.652994
where:
bonds (distance) C4'-P energy: -123.900
bonds (distance) P-C4' energy: -137.966
flat angles C4'-P-C4' energy: -140.455
flat angles P-C4'-P energy: -73.425
tors. eta vs tors. theta energy: -135.907
Dist. restrs. and SS energy: 4.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2882.813850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.813850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.809043 (E_RNA)
where:
Base-Base interactions energy: -1957.031
where: short stacking energy: -842.326
Base-Backbone interact. energy: -1.109
local terms energy: -926.669330
where:
bonds (distance) C4'-P energy: -169.726
bonds (distance) P-C4' energy: -169.230
flat angles C4'-P-C4' energy: -193.916
flat angles P-C4'-P energy: -128.949
tors. eta vs tors. theta energy: -264.847
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2816.893821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.893821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.518638 (E_RNA)
where:
Base-Base interactions energy: -1965.128
where: short stacking energy: -816.887
Base-Backbone interact. energy: -5.587
local terms energy: -847.803817
where:
bonds (distance) C4'-P energy: -145.791
bonds (distance) P-C4' energy: -168.278
flat angles C4'-P-C4' energy: -173.056
flat angles P-C4'-P energy: -119.917
tors. eta vs tors. theta energy: -240.762
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: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2624.374749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.374749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.864466 (E_RNA)
where:
Base-Base interactions energy: -1847.531
where: short stacking energy: -762.151
Base-Backbone interact. energy: 3.487
local terms energy: -781.820253
where:
bonds (distance) C4'-P energy: -143.531
bonds (distance) P-C4' energy: -150.061
flat angles C4'-P-C4' energy: -166.409
flat angles P-C4'-P energy: -109.457
tors. eta vs tors. theta energy: -212.362
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: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2485.650557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.650557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.046729 (E_RNA)
where:
Base-Base interactions energy: -1704.366
where: short stacking energy: -737.936
Base-Backbone interact. energy: -2.320
local terms energy: -782.360573
where:
bonds (distance) C4'-P energy: -132.687
bonds (distance) P-C4' energy: -137.925
flat angles C4'-P-C4' energy: -170.136
flat angles P-C4'-P energy: -125.907
tors. eta vs tors. theta energy: -215.707
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2328.115947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.115947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.149260 (E_RNA)
where:
Base-Base interactions energy: -1568.165
where: short stacking energy: -684.987
Base-Backbone interact. energy: -4.057
local terms energy: -758.926952
where:
bonds (distance) C4'-P energy: -146.628
bonds (distance) P-C4' energy: -143.526
flat angles C4'-P-C4' energy: -155.976
flat angles P-C4'-P energy: -112.312
tors. eta vs tors. theta energy: -200.484
Dist. restrs. and SS energy: 3.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2286.238602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.238602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.975963 (E_RNA)
where:
Base-Base interactions energy: -1576.719
where: short stacking energy: -659.315
Base-Backbone interact. energy: 1.450
local terms energy: -712.707037
where:
bonds (distance) C4'-P energy: -143.365
bonds (distance) P-C4' energy: -130.959
flat angles C4'-P-C4' energy: -168.818
flat angles P-C4'-P energy: -89.101
tors. eta vs tors. theta energy: -180.463
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: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2081.457558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.457558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.265928 (E_RNA)
where:
Base-Base interactions energy: -1369.217
where: short stacking energy: -590.535
Base-Backbone interact. energy: 1.005
local terms energy: -716.053980
where:
bonds (distance) C4'-P energy: -156.321
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -161.937
flat angles P-C4'-P energy: -104.156
tors. eta vs tors. theta energy: -167.660
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2000.207055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.207055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.756477 (E_RNA)
where:
Base-Base interactions energy: -1354.549
where: short stacking energy: -568.755
Base-Backbone interact. energy: -0.944
local terms energy: -647.262977
where:
bonds (distance) C4'-P energy: -105.586
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -160.022
flat angles P-C4'-P energy: -93.356
tors. eta vs tors. theta energy: -151.056
Dist. restrs. and SS energy: 2.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1988.673611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.673611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.310057 (E_RNA)
where:
Base-Base interactions energy: -1330.774
where: short stacking energy: -564.069
Base-Backbone interact. energy: -1.294
local terms energy: -659.241457
where:
bonds (distance) C4'-P energy: -123.805
bonds (distance) P-C4' energy: -142.742
flat angles C4'-P-C4' energy: -147.856
flat angles P-C4'-P energy: -98.383
tors. eta vs tors. theta energy: -146.455
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1836.759242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.759242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.234569 (E_RNA)
where:
Base-Base interactions energy: -1233.520
where: short stacking energy: -528.308
Base-Backbone interact. energy: 0.903
local terms energy: -610.617945
where:
bonds (distance) C4'-P energy: -125.561
bonds (distance) P-C4' energy: -134.200
flat angles C4'-P-C4' energy: -134.102
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -126.895
Dist. restrs. and SS energy: 6.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2863.432802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.432802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.372116 (E_RNA)
where:
Base-Base interactions energy: -1976.063
where: short stacking energy: -830.080
Base-Backbone interact. energy: -1.367
local terms energy: -886.942623
where:
bonds (distance) C4'-P energy: -164.723
bonds (distance) P-C4' energy: -168.768
flat angles C4'-P-C4' energy: -177.613
flat angles P-C4'-P energy: -119.751
tors. eta vs tors. theta energy: -256.087
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2824.733967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.733967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.544999 (E_RNA)
where:
Base-Base interactions energy: -1966.465
where: short stacking energy: -816.572
Base-Backbone interact. energy: -5.206
local terms energy: -854.873505
where:
bonds (distance) C4'-P energy: -147.338
bonds (distance) P-C4' energy: -164.172
flat angles C4'-P-C4' energy: -191.606
flat angles P-C4'-P energy: -121.746
tors. eta vs tors. theta energy: -230.012
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: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2654.409447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.409447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.460132 (E_RNA)
where:
Base-Base interactions energy: -1844.988
where: short stacking energy: -770.457
Base-Backbone interact. energy: 0.983
local terms energy: -811.455049
where:
bonds (distance) C4'-P energy: -143.252
bonds (distance) P-C4' energy: -169.791
flat angles C4'-P-C4' energy: -173.398
flat angles P-C4'-P energy: -105.280
tors. eta vs tors. theta energy: -219.734
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: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2514.738439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.738439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.395013 (E_RNA)
where:
Base-Base interactions energy: -1712.830
where: short stacking energy: -735.530
Base-Backbone interact. energy: 4.519
local terms energy: -808.084313
where:
bonds (distance) C4'-P energy: -128.241
bonds (distance) P-C4' energy: -159.410
flat angles C4'-P-C4' energy: -177.306
flat angles P-C4'-P energy: -126.170
tors. eta vs tors. theta energy: -216.958
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2307.104877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.104877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.791482 (E_RNA)
where:
Base-Base interactions energy: -1569.114
where: short stacking energy: -662.915
Base-Backbone interact. energy: -2.826
local terms energy: -738.851468
where:
bonds (distance) C4'-P energy: -135.029
bonds (distance) P-C4' energy: -156.354
flat angles C4'-P-C4' energy: -161.328
flat angles P-C4'-P energy: -111.742
tors. eta vs tors. theta energy: -174.399
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: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2216.288297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.288297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.563169 (E_RNA)
where:
Base-Base interactions energy: -1508.215
where: short stacking energy: -646.239
Base-Backbone interact. energy: -2.774
local terms energy: -707.574412
where:
bonds (distance) C4'-P energy: -149.299
bonds (distance) P-C4' energy: -153.934
flat angles C4'-P-C4' energy: -143.345
flat angles P-C4'-P energy: -96.319
tors. eta vs tors. theta energy: -164.676
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: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2095.999529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.999529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.510271 (E_RNA)
where:
Base-Base interactions energy: -1408.224
where: short stacking energy: -602.380
Base-Backbone interact. energy: -3.947
local terms energy: -685.338977
where:
bonds (distance) C4'-P energy: -143.023
bonds (distance) P-C4' energy: -143.863
flat angles C4'-P-C4' energy: -155.984
flat angles P-C4'-P energy: -82.540
tors. eta vs tors. theta energy: -159.929
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1994.906175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.906175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.178617 (E_RNA)
where:
Base-Base interactions energy: -1372.687
where: short stacking energy: -576.181
Base-Backbone interact. energy: 0.108
local terms energy: -623.598834
where:
bonds (distance) C4'-P energy: -114.842
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -137.732
flat angles P-C4'-P energy: -92.672
tors. eta vs tors. theta energy: -143.494
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1946.728542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.728542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.369040 (E_RNA)
where:
Base-Base interactions energy: -1340.981
where: short stacking energy: -579.169
Base-Backbone interact. energy: 12.574
local terms energy: -620.961783
where:
bonds (distance) C4'-P energy: -130.976
bonds (distance) P-C4' energy: -125.026
flat angles C4'-P-C4' energy: -123.218
flat angles P-C4'-P energy: -95.129
tors. eta vs tors. theta energy: -146.613
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: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1861.007165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.007165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.472273 (E_RNA)
where:
Base-Base interactions energy: -1268.698
where: short stacking energy: -517.519
Base-Backbone interact. energy: 0.627
local terms energy: -596.400758
where:
bonds (distance) C4'-P energy: -134.267
bonds (distance) P-C4' energy: -117.322
flat angles C4'-P-C4' energy: -142.412
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -127.640
Dist. restrs. and SS energy: 3.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2839.069750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.069750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.273325 (E_RNA)
where:
Base-Base interactions energy: -1976.593
where: short stacking energy: -820.985
Base-Backbone interact. energy: -1.771
local terms energy: -861.909638
where:
bonds (distance) C4'-P energy: -153.931
bonds (distance) P-C4' energy: -162.552
flat angles C4'-P-C4' energy: -179.224
flat angles P-C4'-P energy: -120.276
tors. eta vs tors. theta energy: -245.926
Dist. restrs. and SS energy: 1.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2810.321481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.321481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.128495 (E_RNA)
where:
Base-Base interactions energy: -1950.312
where: short stacking energy: -792.564
Base-Backbone interact. energy: -3.646
local terms energy: -858.170438
where:
bonds (distance) C4'-P energy: -160.068
bonds (distance) P-C4' energy: -164.022
flat angles C4'-P-C4' energy: -179.666
flat angles P-C4'-P energy: -120.499
tors. eta vs tors. theta energy: -233.915
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2723.318162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.318162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.831557 (E_RNA)
where:
Base-Base interactions energy: -1888.176
where: short stacking energy: -778.089
Base-Backbone interact. energy: -2.190
local terms energy: -834.466404
where:
bonds (distance) C4'-P energy: -162.877
bonds (distance) P-C4' energy: -172.201
flat angles C4'-P-C4' energy: -162.366
flat angles P-C4'-P energy: -116.520
tors. eta vs tors. theta energy: -220.503
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: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2514.918620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.918620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.110988 (E_RNA)
where:
Base-Base interactions energy: -1696.588
where: short stacking energy: -723.342
Base-Backbone interact. energy: 1.092
local terms energy: -821.615002
where:
bonds (distance) C4'-P energy: -146.512
bonds (distance) P-C4' energy: -159.486
flat angles C4'-P-C4' energy: -177.846
flat angles P-C4'-P energy: -108.343
tors. eta vs tors. theta energy: -229.428
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2317.386962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.386962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.562994 (E_RNA)
where:
Base-Base interactions energy: -1597.888
where: short stacking energy: -678.438
Base-Backbone interact. energy: -4.590
local terms energy: -718.084896
where:
bonds (distance) C4'-P energy: -109.232
bonds (distance) P-C4' energy: -150.672
flat angles C4'-P-C4' energy: -160.821
flat angles P-C4'-P energy: -103.976
tors. eta vs tors. theta energy: -193.384
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: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2251.673945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.673945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.861038 (E_RNA)
where:
Base-Base interactions energy: -1512.420
where: short stacking energy: -650.571
Base-Backbone interact. energy: -0.685
local terms energy: -740.756023
where:
bonds (distance) C4'-P energy: -130.890
bonds (distance) P-C4' energy: -137.337
flat angles C4'-P-C4' energy: -161.328
flat angles P-C4'-P energy: -125.793
tors. eta vs tors. theta energy: -185.409
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: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2018.426252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.426252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.590499 (E_RNA)
where:
Base-Base interactions energy: -1356.788
where: short stacking energy: -582.535
Base-Backbone interact. energy: 1.239
local terms energy: -668.041414
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -144.736
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -95.549
tors. eta vs tors. theta energy: -157.023
Dist. restrs. and SS energy: 5.164 (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: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1961.032951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.032951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.505170 (E_RNA)
where:
Base-Base interactions energy: -1342.697
where: short stacking energy: -551.824
Base-Backbone interact. energy: 1.071
local terms energy: -620.879003
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -118.840
flat angles C4'-P-C4' energy: -160.943
flat angles P-C4'-P energy: -84.987
tors. eta vs tors. theta energy: -127.769
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: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1977.169034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.169034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.470906 (E_RNA)
where:
Base-Base interactions energy: -1320.762
where: short stacking energy: -575.232
Base-Backbone interact. energy: 0.194
local terms energy: -658.902643
where:
bonds (distance) C4'-P energy: -130.690
bonds (distance) P-C4' energy: -140.328
flat angles C4'-P-C4' energy: -151.525
flat angles P-C4'-P energy: -86.572
tors. eta vs tors. theta energy: -149.788
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: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1814.503782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.503782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.953317 (E_RNA)
where:
Base-Base interactions energy: -1228.617
where: short stacking energy: -519.238
Base-Backbone interact. energy: 5.460
local terms energy: -594.795731
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -128.737
flat angles C4'-P-C4' energy: -140.246
flat angles P-C4'-P energy: -88.762
tors. eta vs tors. theta energy: -130.417
Dist. restrs. and SS energy: 3.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2890.326945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.326945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.004926 (E_RNA)
where:
Base-Base interactions energy: -2012.607
where: short stacking energy: -846.180
Base-Backbone interact. energy: -0.049
local terms energy: -878.348298
where:
bonds (distance) C4'-P energy: -150.876
bonds (distance) P-C4' energy: -170.853
flat angles C4'-P-C4' energy: -191.539
flat angles P-C4'-P energy: -119.813
tors. eta vs tors. theta energy: -245.267
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2735.321401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.321401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.428326 (E_RNA)
where:
Base-Base interactions energy: -1882.636
where: short stacking energy: -782.170
Base-Backbone interact. energy: -1.746
local terms energy: -852.045908
where:
bonds (distance) C4'-P energy: -162.891
bonds (distance) P-C4' energy: -157.140
flat angles C4'-P-C4' energy: -178.881
flat angles P-C4'-P energy: -121.187
tors. eta vs tors. theta energy: -231.946
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2743.657338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.657338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.323193 (E_RNA)
where:
Base-Base interactions energy: -1918.562
where: short stacking energy: -789.651
Base-Backbone interact. energy: 3.342
local terms energy: -829.102789
where:
bonds (distance) C4'-P energy: -159.740
bonds (distance) P-C4' energy: -153.651
flat angles C4'-P-C4' energy: -183.181
flat angles P-C4'-P energy: -111.539
tors. eta vs tors. theta energy: -220.992
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2464.893513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.893513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.506935 (E_RNA)
where:
Base-Base interactions energy: -1678.436
where: short stacking energy: -715.569
Base-Backbone interact. energy: -3.316
local terms energy: -785.754546
where:
bonds (distance) C4'-P energy: -150.971
bonds (distance) P-C4' energy: -163.865
flat angles C4'-P-C4' energy: -168.123
flat angles P-C4'-P energy: -103.187
tors. eta vs tors. theta energy: -199.609
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2308.707461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.707461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.292575 (E_RNA)
where:
Base-Base interactions energy: -1557.741
where: short stacking energy: -695.137
Base-Backbone interact. energy: -2.516
local terms energy: -750.036061
where:
bonds (distance) C4'-P energy: -138.739
bonds (distance) P-C4' energy: -149.274
flat angles C4'-P-C4' energy: -168.537
flat angles P-C4'-P energy: -118.017
tors. eta vs tors. theta energy: -175.469
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: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2208.612612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.612612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.214773 (E_RNA)
where:
Base-Base interactions energy: -1518.981
where: short stacking energy: -651.327
Base-Backbone interact. energy: 4.569
local terms energy: -697.801969
where:
bonds (distance) C4'-P energy: -144.990
bonds (distance) P-C4' energy: -136.249
flat angles C4'-P-C4' energy: -146.949
flat angles P-C4'-P energy: -95.049
tors. eta vs tors. theta energy: -174.566
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: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2056.181504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.181504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.497053 (E_RNA)
where:
Base-Base interactions energy: -1366.537
where: short stacking energy: -586.145
Base-Backbone interact. energy: -5.140
local terms energy: -686.820327
where:
bonds (distance) C4'-P energy: -140.230
bonds (distance) P-C4' energy: -150.529
flat angles C4'-P-C4' energy: -160.406
flat angles P-C4'-P energy: -85.044
tors. eta vs tors. theta energy: -150.611
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1999.318836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.318836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.090244 (E_RNA)
where:
Base-Base interactions energy: -1366.786
where: short stacking energy: -585.348
Base-Backbone interact. energy: -1.637
local terms energy: -637.667117
where:
bonds (distance) C4'-P energy: -115.205
bonds (distance) P-C4' energy: -131.554
flat angles C4'-P-C4' energy: -145.323
flat angles P-C4'-P energy: -86.719
tors. eta vs tors. theta energy: -158.866
Dist. restrs. and SS energy: 6.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1941.389278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.389278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.246295 (E_RNA)
where:
Base-Base interactions energy: -1319.766
where: short stacking energy: -563.398
Base-Backbone interact. energy: -0.507
local terms energy: -623.973277
where:
bonds (distance) C4'-P energy: -124.272
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -128.737
flat angles P-C4'-P energy: -86.244
tors. eta vs tors. theta energy: -151.646
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: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1848.460889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.460889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.878029 (E_RNA)
where:
Base-Base interactions energy: -1270.952
where: short stacking energy: -535.107
Base-Backbone interact. energy: 6.242
local terms energy: -586.168085
where:
bonds (distance) C4'-P energy: -107.152
bonds (distance) P-C4' energy: -121.725
flat angles C4'-P-C4' energy: -141.491
flat angles P-C4'-P energy: -85.912
tors. eta vs tors. theta energy: -129.888
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2886.967155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.967155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.973217 (E_RNA)
where:
Base-Base interactions energy: -2003.603
where: short stacking energy: -850.895
Base-Backbone interact. energy: 0.807
local terms energy: -887.177449
where:
bonds (distance) C4'-P energy: -154.252
bonds (distance) P-C4' energy: -166.601
flat angles C4'-P-C4' energy: -182.726
flat angles P-C4'-P energy: -128.587
tors. eta vs tors. theta energy: -255.013
Dist. restrs. and SS energy: 3.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2797.643296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.643296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.620000 (E_RNA)
where:
Base-Base interactions energy: -1945.988
where: short stacking energy: -832.121
Base-Backbone interact. energy: 1.389
local terms energy: -854.020923
where:
bonds (distance) C4'-P energy: -155.649
bonds (distance) P-C4' energy: -155.988
flat angles C4'-P-C4' energy: -175.906
flat angles P-C4'-P energy: -120.860
tors. eta vs tors. theta energy: -245.619
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: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2689.437590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.437590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.250195 (E_RNA)
where:
Base-Base interactions energy: -1858.867
where: short stacking energy: -787.599
Base-Backbone interact. energy: -0.483
local terms energy: -831.899813
where:
bonds (distance) C4'-P energy: -152.379
bonds (distance) P-C4' energy: -155.413
flat angles C4'-P-C4' energy: -174.699
flat angles P-C4'-P energy: -121.663
tors. eta vs tors. theta energy: -227.746
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: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2487.819438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.819438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.196948 (E_RNA)
where:
Base-Base interactions energy: -1714.645
where: short stacking energy: -740.488
Base-Backbone interact. energy: -3.278
local terms energy: -772.273742
where:
bonds (distance) C4'-P energy: -139.772
bonds (distance) P-C4' energy: -156.873
flat angles C4'-P-C4' energy: -163.662
flat angles P-C4'-P energy: -100.698
tors. eta vs tors. theta energy: -211.268
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2320.237073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.237073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.389590 (E_RNA)
where:
Base-Base interactions energy: -1554.025
where: short stacking energy: -644.832
Base-Backbone interact. energy: -2.616
local terms energy: -765.749563
where:
bonds (distance) C4'-P energy: -156.514
bonds (distance) P-C4' energy: -149.584
flat angles C4'-P-C4' energy: -168.424
flat angles P-C4'-P energy: -107.628
tors. eta vs tors. theta energy: -183.600
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: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2246.757810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.757810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.727834 (E_RNA)
where:
Base-Base interactions energy: -1525.851
where: short stacking energy: -642.967
Base-Backbone interact. energy: 2.090
local terms energy: -724.966902
where:
bonds (distance) C4'-P energy: -138.842
bonds (distance) P-C4' energy: -133.364
flat angles C4'-P-C4' energy: -166.101
flat angles P-C4'-P energy: -109.946
tors. eta vs tors. theta energy: -176.714
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2072.725931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.725931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.605046 (E_RNA)
where:
Base-Base interactions energy: -1385.282
where: short stacking energy: -594.082
Base-Backbone interact. energy: 0.809
local terms energy: -690.132270
where:
bonds (distance) C4'-P energy: -142.500
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -151.876
flat angles P-C4'-P energy: -102.778
tors. eta vs tors. theta energy: -156.030
Dist. restrs. and SS energy: 1.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2024.932752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.932752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.439193 (E_RNA)
where:
Base-Base interactions energy: -1359.766
where: short stacking energy: -585.125
Base-Backbone interact. energy: -3.901
local terms energy: -663.772542
where:
bonds (distance) C4'-P energy: -127.722
bonds (distance) P-C4' energy: -130.512
flat angles C4'-P-C4' energy: -155.002
flat angles P-C4'-P energy: -82.027
tors. eta vs tors. theta energy: -168.510
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: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1914.977418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.977418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.316614 (E_RNA)
where:
Base-Base interactions energy: -1286.974
where: short stacking energy: -547.445
Base-Backbone interact. energy: 6.332
local terms energy: -638.674991
where:
bonds (distance) C4'-P energy: -138.678
bonds (distance) P-C4' energy: -140.081
flat angles C4'-P-C4' energy: -152.692
flat angles P-C4'-P energy: -79.669
tors. eta vs tors. theta energy: -127.555
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: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1805.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.173905 (E_RNA)
where:
Base-Base interactions energy: -1268.201
where: short stacking energy: -496.800
Base-Backbone interact. energy: -2.199
local terms energy: -537.773836
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -118.797
flat angles C4'-P-C4' energy: -123.125
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -100.263
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: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2881.372536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.372536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.897492 (E_RNA)
where:
Base-Base interactions energy: -1986.765
where: short stacking energy: -843.699
Base-Backbone interact. energy: 0.630
local terms energy: -897.761789
where:
bonds (distance) C4'-P energy: -169.852
bonds (distance) P-C4' energy: -165.609
flat angles C4'-P-C4' energy: -181.617
flat angles P-C4'-P energy: -134.259
tors. eta vs tors. theta energy: -246.424
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: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2806.209259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.209259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.571330 (E_RNA)
where:
Base-Base interactions energy: -1948.968
where: short stacking energy: -815.112
Base-Backbone interact. energy: -4.454
local terms energy: -855.148941
where:
bonds (distance) C4'-P energy: -175.710
bonds (distance) P-C4' energy: -150.741
flat angles C4'-P-C4' energy: -186.597
flat angles P-C4'-P energy: -107.166
tors. eta vs tors. theta energy: -234.935
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2711.159914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.159914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.490979 (E_RNA)
where:
Base-Base interactions energy: -1872.885
where: short stacking energy: -787.015
Base-Backbone interact. energy: -1.120
local terms energy: -838.485202
where:
bonds (distance) C4'-P energy: -156.627
bonds (distance) P-C4' energy: -136.068
flat angles C4'-P-C4' energy: -190.207
flat angles P-C4'-P energy: -124.536
tors. eta vs tors. theta energy: -231.048
Dist. restrs. and SS energy: 1.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2466.823050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.823050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.287507 (E_RNA)
where:
Base-Base interactions energy: -1667.442
where: short stacking energy: -723.067
Base-Backbone interact. energy: -0.146
local terms energy: -801.699591
where:
bonds (distance) C4'-P energy: -146.042
bonds (distance) P-C4' energy: -152.417
flat angles C4'-P-C4' energy: -185.104
flat angles P-C4'-P energy: -115.076
tors. eta vs tors. theta energy: -203.061
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: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2277.082915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.082915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.693592 (E_RNA)
where:
Base-Base interactions energy: -1530.881
where: short stacking energy: -683.539
Base-Backbone interact. energy: 0.552
local terms energy: -754.364437
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -142.726
flat angles C4'-P-C4' energy: -177.163
flat angles P-C4'-P energy: -123.498
tors. eta vs tors. theta energy: -186.521
Dist. restrs. and SS energy: 7.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2240.287077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.287077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.738971 (E_RNA)
where:
Base-Base interactions energy: -1535.208
where: short stacking energy: -656.628
Base-Backbone interact. energy: 2.354
local terms energy: -711.885479
where:
bonds (distance) C4'-P energy: -136.479
bonds (distance) P-C4' energy: -143.239
flat angles C4'-P-C4' energy: -162.375
flat angles P-C4'-P energy: -86.780
tors. eta vs tors. theta energy: -183.013
Dist. restrs. and SS energy: 4.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2077.252195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.252195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.893984 (E_RNA)
where:
Base-Base interactions energy: -1416.619
where: short stacking energy: -618.755
Base-Backbone interact. energy: 0.020
local terms energy: -663.294821
where:
bonds (distance) C4'-P energy: -101.409
bonds (distance) P-C4' energy: -145.119
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -101.534
tors. eta vs tors. theta energy: -162.661
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: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2012.393203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.393203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.131788 (E_RNA)
where:
Base-Base interactions energy: -1332.330
where: short stacking energy: -579.454
Base-Backbone interact. energy: -0.652
local terms energy: -682.149166
where:
bonds (distance) C4'-P energy: -148.265
bonds (distance) P-C4' energy: -154.773
flat angles C4'-P-C4' energy: -135.504
flat angles P-C4'-P energy: -86.399
tors. eta vs tors. theta energy: -157.208
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1928.395923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.395923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.030722 (E_RNA)
where:
Base-Base interactions energy: -1331.297
where: short stacking energy: -540.222
Base-Backbone interact. energy: 1.542
local terms energy: -600.275276
where:
bonds (distance) C4'-P energy: -116.264
bonds (distance) P-C4' energy: -118.015
flat angles C4'-P-C4' energy: -156.344
flat angles P-C4'-P energy: -69.030
tors. eta vs tors. theta energy: -140.622
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: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1842.095799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.095799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.878279 (E_RNA)
where:
Base-Base interactions energy: -1262.783
where: short stacking energy: -519.108
Base-Backbone interact. energy: 3.887
local terms energy: -586.982130
where:
bonds (distance) C4'-P energy: -117.015
bonds (distance) P-C4' energy: -106.571
flat angles C4'-P-C4' energy: -136.688
flat angles P-C4'-P energy: -97.646
tors. eta vs tors. theta energy: -129.062
Dist. restrs. and SS energy: 3.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2906.366079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.366079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.483962 (E_RNA)
where:
Base-Base interactions energy: -1996.508
where: short stacking energy: -827.284
Base-Backbone interact. energy: -6.120
local terms energy: -906.856049
where:
bonds (distance) C4'-P energy: -165.271
bonds (distance) P-C4' energy: -173.864
flat angles C4'-P-C4' energy: -198.373
flat angles P-C4'-P energy: -128.827
tors. eta vs tors. theta energy: -240.521
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2822.660711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.660711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.586862 (E_RNA)
where:
Base-Base interactions energy: -1949.767
where: short stacking energy: -814.809
Base-Backbone interact. energy: -2.594
local terms energy: -871.225508
where:
bonds (distance) C4'-P energy: -163.329
bonds (distance) P-C4' energy: -153.725
flat angles C4'-P-C4' energy: -187.262
flat angles P-C4'-P energy: -128.085
tors. eta vs tors. theta energy: -238.824
Dist. restrs. and SS energy: 0.926 (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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2662.651097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.651097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.753998 (E_RNA)
where:
Base-Base interactions energy: -1843.272
where: short stacking energy: -763.450
Base-Backbone interact. energy: -5.027
local terms energy: -816.455318
where:
bonds (distance) C4'-P energy: -159.029
bonds (distance) P-C4' energy: -161.334
flat angles C4'-P-C4' energy: -168.027
flat angles P-C4'-P energy: -111.700
tors. eta vs tors. theta energy: -216.365
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: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2459.383019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.383019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.106318 (E_RNA)
where:
Base-Base interactions energy: -1665.783
where: short stacking energy: -678.467
Base-Backbone interact. energy: -3.530
local terms energy: -790.793561
where:
bonds (distance) C4'-P energy: -157.203
bonds (distance) P-C4' energy: -156.988
flat angles C4'-P-C4' energy: -171.671
flat angles P-C4'-P energy: -100.582
tors. eta vs tors. theta energy: -204.349
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2306.347306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.347306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.765566 (E_RNA)
where:
Base-Base interactions energy: -1565.987
where: short stacking energy: -686.580
Base-Backbone interact. energy: 0.467
local terms energy: -743.245022
where:
bonds (distance) C4'-P energy: -134.819
bonds (distance) P-C4' energy: -138.722
flat angles C4'-P-C4' energy: -166.291
flat angles P-C4'-P energy: -110.606
tors. eta vs tors. theta energy: -192.806
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2245.391589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.391589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.717651 (E_RNA)
where:
Base-Base interactions energy: -1503.566
where: short stacking energy: -645.867
Base-Backbone interact. energy: -3.123
local terms energy: -741.027786
where:
bonds (distance) C4'-P energy: -141.766
bonds (distance) P-C4' energy: -146.947
flat angles C4'-P-C4' energy: -151.687
flat angles P-C4'-P energy: -119.280
tors. eta vs tors. theta energy: -181.348
Dist. restrs. and SS energy: 2.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2088.674527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.674527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.775395 (E_RNA)
where:
Base-Base interactions energy: -1397.370
where: short stacking energy: -609.633
Base-Backbone interact. energy: 2.412
local terms energy: -696.817686
where:
bonds (distance) C4'-P energy: -138.032
bonds (distance) P-C4' energy: -144.835
flat angles C4'-P-C4' energy: -159.428
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -160.077
Dist. restrs. and SS energy: 3.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1986.375163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.375163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.488106 (E_RNA)
where:
Base-Base interactions energy: -1356.916
where: short stacking energy: -581.279
Base-Backbone interact. energy: 0.367
local terms energy: -631.938538
where:
bonds (distance) C4'-P energy: -122.201
bonds (distance) P-C4' energy: -122.093
flat angles C4'-P-C4' energy: -157.583
flat angles P-C4'-P energy: -84.524
tors. eta vs tors. theta energy: -145.538
Dist. restrs. and SS energy: 2.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1947.015761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.015761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.200921 (E_RNA)
where:
Base-Base interactions energy: -1309.861
where: short stacking energy: -550.844
Base-Backbone interact. energy: 4.967
local terms energy: -646.306639
where:
bonds (distance) C4'-P energy: -130.924
bonds (distance) P-C4' energy: -138.989
flat angles C4'-P-C4' energy: -128.897
flat angles P-C4'-P energy: -96.571
tors. eta vs tors. theta energy: -150.926
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: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1892.952370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.952370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.090837 (E_RNA)
where:
Base-Base interactions energy: -1232.394
where: short stacking energy: -510.428
Base-Backbone interact. energy: 2.528
local terms energy: -666.224236
where:
bonds (distance) C4'-P energy: -145.263
bonds (distance) P-C4' energy: -131.980
flat angles C4'-P-C4' energy: -161.446
flat angles P-C4'-P energy: -87.555
tors. eta vs tors. theta energy: -139.980
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: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2915.955532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.955532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.803788 (E_RNA)
where:
Base-Base interactions energy: -2029.052
where: short stacking energy: -839.862
Base-Backbone interact. energy: -4.042
local terms energy: -885.710405
where:
bonds (distance) C4'-P energy: -157.970
bonds (distance) P-C4' energy: -165.205
flat angles C4'-P-C4' energy: -183.462
flat angles P-C4'-P energy: -134.042
tors. eta vs tors. theta energy: -245.032
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2739.881772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.881772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.605227 (E_RNA)
where:
Base-Base interactions energy: -1906.585
where: short stacking energy: -780.931
Base-Backbone interact. energy: -3.006
local terms energy: -832.013531
where:
bonds (distance) C4'-P energy: -152.415
bonds (distance) P-C4' energy: -167.699
flat angles C4'-P-C4' energy: -169.639
flat angles P-C4'-P energy: -120.884
tors. eta vs tors. theta energy: -221.377
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2685.503084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.503084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.368497 (E_RNA)
where:
Base-Base interactions energy: -1859.115
where: short stacking energy: -755.779
Base-Backbone interact. energy: -0.066
local terms energy: -827.187492
where:
bonds (distance) C4'-P energy: -157.860
bonds (distance) P-C4' energy: -153.910
flat angles C4'-P-C4' energy: -180.769
flat angles P-C4'-P energy: -121.027
tors. eta vs tors. theta energy: -213.621
Dist. restrs. and SS energy: 0.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2499.568819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.568819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.389880 (E_RNA)
where:
Base-Base interactions energy: -1735.487
where: short stacking energy: -722.663
Base-Backbone interact. energy: -5.647
local terms energy: -760.255875
where:
bonds (distance) C4'-P energy: -131.569
bonds (distance) P-C4' energy: -152.100
flat angles C4'-P-C4' energy: -159.814
flat angles P-C4'-P energy: -108.365
tors. eta vs tors. theta energy: -208.409
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2357.149749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.149749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.529145 (E_RNA)
where:
Base-Base interactions energy: -1591.602
where: short stacking energy: -685.059
Base-Backbone interact. energy: -5.576
local terms energy: -761.351201
where:
bonds (distance) C4'-P energy: -156.586
bonds (distance) P-C4' energy: -139.733
flat angles C4'-P-C4' energy: -155.694
flat angles P-C4'-P energy: -119.950
tors. eta vs tors. theta energy: -189.388
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2246.140480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.140480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.198546 (E_RNA)
where:
Base-Base interactions energy: -1539.030
where: short stacking energy: -654.551
Base-Backbone interact. energy: 0.967
local terms energy: -710.135834
where:
bonds (distance) C4'-P energy: -143.247
bonds (distance) P-C4' energy: -149.673
flat angles C4'-P-C4' energy: -151.638
flat angles P-C4'-P energy: -100.797
tors. eta vs tors. theta energy: -164.781
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: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2077.789836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.789836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.708842 (E_RNA)
where:
Base-Base interactions energy: -1383.680
where: short stacking energy: -604.865
Base-Backbone interact. energy: 0.427
local terms energy: -698.455094
where:
bonds (distance) C4'-P energy: -130.075
bonds (distance) P-C4' energy: -138.522
flat angles C4'-P-C4' energy: -156.952
flat angles P-C4'-P energy: -108.482
tors. eta vs tors. theta energy: -164.424
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -2026.219547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.219547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.467456 (E_RNA)
where:
Base-Base interactions energy: -1346.553
where: short stacking energy: -570.829
Base-Backbone interact. energy: -1.165
local terms energy: -680.749720
where:
bonds (distance) C4'-P energy: -128.965
bonds (distance) P-C4' energy: -142.840
flat angles C4'-P-C4' energy: -150.214
flat angles P-C4'-P energy: -94.848
tors. eta vs tors. theta energy: -163.882
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: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1982.173631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.173631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.431755 (E_RNA)
where:
Base-Base interactions energy: -1364.909
where: short stacking energy: -575.790
Base-Backbone interact. energy: 6.365
local terms energy: -627.888055
where:
bonds (distance) C4'-P energy: -117.312
bonds (distance) P-C4' energy: -123.508
flat angles C4'-P-C4' energy: -147.805
flat angles P-C4'-P energy: -83.707
tors. eta vs tors. theta energy: -155.556
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: 278
Temperature: 1.350000
Total energy: -1821.382289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.382289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.164658 (E_RNA)
where:
Base-Base interactions energy: -1250.807
where: short stacking energy: -508.003
Base-Backbone interact. energy: -2.256
local terms energy: -571.101728
where:
bonds (distance) C4'-P energy: -105.117
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -126.620
flat angles P-C4'-P energy: -91.917
tors. eta vs tors. theta energy: -121.398
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2905.547825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.547825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.775987 (E_RNA)
where:
Base-Base interactions energy: -2009.224
where: short stacking energy: -845.448
Base-Backbone interact. energy: -5.665
local terms energy: -892.887153
where:
bonds (distance) C4'-P energy: -160.192
bonds (distance) P-C4' energy: -179.454
flat angles C4'-P-C4' energy: -182.192
flat angles P-C4'-P energy: -131.967
tors. eta vs tors. theta energy: -239.082
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: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2773.394897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.394897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.041113 (E_RNA)
where:
Base-Base interactions energy: -1927.739
where: short stacking energy: -796.986
Base-Backbone interact. energy: -1.486
local terms energy: -845.816385
where:
bonds (distance) C4'-P energy: -155.344
bonds (distance) P-C4' energy: -157.331
flat angles C4'-P-C4' energy: -176.528
flat angles P-C4'-P energy: -120.724
tors. eta vs tors. theta energy: -235.890
Dist. restrs. and SS energy: 1.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2732.687697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.687697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.420418 (E_RNA)
where:
Base-Base interactions energy: -1916.862
where: short stacking energy: -772.930
Base-Backbone interact. energy: 2.351
local terms energy: -819.909572
where:
bonds (distance) C4'-P energy: -142.907
bonds (distance) P-C4' energy: -161.471
flat angles C4'-P-C4' energy: -169.219
flat angles P-C4'-P energy: -111.956
tors. eta vs tors. theta energy: -234.357
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: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2476.433008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.433008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.628785 (E_RNA)
where:
Base-Base interactions energy: -1693.580
where: short stacking energy: -706.230
Base-Backbone interact. energy: -1.197
local terms energy: -782.851331
where:
bonds (distance) C4'-P energy: -134.014
bonds (distance) P-C4' energy: -164.410
flat angles C4'-P-C4' energy: -171.192
flat angles P-C4'-P energy: -109.835
tors. eta vs tors. theta energy: -203.399
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: 279
Temperature: 1.100000
Total energy: -2308.734708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.734708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.357982 (E_RNA)
where:
Base-Base interactions energy: -1588.928
where: short stacking energy: -673.540
Base-Backbone interact. energy: 0.457
local terms energy: -722.887199
where:
bonds (distance) C4'-P energy: -142.358
bonds (distance) P-C4' energy: -151.665
flat angles C4'-P-C4' energy: -152.078
flat angles P-C4'-P energy: -94.861
tors. eta vs tors. theta energy: -181.926
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: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2267.587146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.587146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.328981 (E_RNA)
where:
Base-Base interactions energy: -1545.530
where: short stacking energy: -647.721
Base-Backbone interact. energy: -4.571
local terms energy: -720.228125
where:
bonds (distance) C4'-P energy: -146.621
bonds (distance) P-C4' energy: -145.062
flat angles C4'-P-C4' energy: -170.011
flat angles P-C4'-P energy: -100.603
tors. eta vs tors. theta energy: -157.931
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: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2115.128643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.128643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.364191 (E_RNA)
where:
Base-Base interactions energy: -1405.393
where: short stacking energy: -605.081
Base-Backbone interact. energy: -2.164
local terms energy: -710.807411
where:
bonds (distance) C4'-P energy: -129.455
bonds (distance) P-C4' energy: -145.164
flat angles C4'-P-C4' energy: -165.559
flat angles P-C4'-P energy: -100.587
tors. eta vs tors. theta energy: -170.042
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: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2020.672670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.672670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.967627 (E_RNA)
where:
Base-Base interactions energy: -1361.155
where: short stacking energy: -577.361
Base-Backbone interact. energy: -0.669
local terms energy: -660.144289
where:
bonds (distance) C4'-P energy: -125.806
bonds (distance) P-C4' energy: -145.301
flat angles C4'-P-C4' energy: -136.792
flat angles P-C4'-P energy: -94.016
tors. eta vs tors. theta energy: -158.230
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: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1940.528807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.528807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.758173 (E_RNA)
where:
Base-Base interactions energy: -1323.419
where: short stacking energy: -545.389
Base-Backbone interact. energy: 5.584
local terms energy: -625.922545
where:
bonds (distance) C4'-P energy: -134.315
bonds (distance) P-C4' energy: -132.971
flat angles C4'-P-C4' energy: -147.599
flat angles P-C4'-P energy: -86.246
tors. eta vs tors. theta energy: -124.792
Dist. restrs. and SS energy: 3.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1856.641214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.641214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.169523 (E_RNA)
where:
Base-Base interactions energy: -1272.886
where: short stacking energy: -519.403
Base-Backbone interact. energy: -3.132
local terms energy: -584.151770
where:
bonds (distance) C4'-P energy: -126.245
bonds (distance) P-C4' energy: -105.977
flat angles C4'-P-C4' energy: -134.782
flat angles P-C4'-P energy: -81.883
tors. eta vs tors. theta energy: -135.265
Dist. restrs. and SS energy: 3.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2891.413126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.413126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.785213 (E_RNA)
where:
Base-Base interactions energy: -2016.206
where: short stacking energy: -844.423
Base-Backbone interact. energy: -3.671
local terms energy: -873.908896
where:
bonds (distance) C4'-P energy: -166.580
bonds (distance) P-C4' energy: -158.082
flat angles C4'-P-C4' energy: -179.336
flat angles P-C4'-P energy: -123.950
tors. eta vs tors. theta energy: -245.961
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2786.713765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.713765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.660856 (E_RNA)
where:
Base-Base interactions energy: -1942.725
where: short stacking energy: -794.441
Base-Backbone interact. energy: -0.386
local terms energy: -845.550225
where:
bonds (distance) C4'-P energy: -150.655
bonds (distance) P-C4' energy: -164.415
flat angles C4'-P-C4' energy: -177.327
flat angles P-C4'-P energy: -115.248
tors. eta vs tors. theta energy: -237.905
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2706.484788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.484788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.800580 (E_RNA)
where:
Base-Base interactions energy: -1879.325
where: short stacking energy: -781.256
Base-Backbone interact. energy: -1.465
local terms energy: -828.010646
where:
bonds (distance) C4'-P energy: -154.147
bonds (distance) P-C4' energy: -143.252
flat angles C4'-P-C4' energy: -179.833
flat angles P-C4'-P energy: -114.944
tors. eta vs tors. theta energy: -235.836
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: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2455.773727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.773727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.477802 (E_RNA)
where:
Base-Base interactions energy: -1705.263
where: short stacking energy: -712.298
Base-Backbone interact. energy: -3.091
local terms energy: -749.123975
where:
bonds (distance) C4'-P energy: -140.143
bonds (distance) P-C4' energy: -139.806
flat angles C4'-P-C4' energy: -159.819
flat angles P-C4'-P energy: -105.016
tors. eta vs tors. theta energy: -204.340
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: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2356.283109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.283109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.283105 (E_RNA)
where:
Base-Base interactions energy: -1611.297
where: short stacking energy: -665.245
Base-Backbone interact. energy: 5.289
local terms energy: -752.275194
where:
bonds (distance) C4'-P energy: -135.313
bonds (distance) P-C4' energy: -156.230
flat angles C4'-P-C4' energy: -174.932
flat angles P-C4'-P energy: -98.596
tors. eta vs tors. theta energy: -187.204
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: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2257.963964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.963964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.295739 (E_RNA)
where:
Base-Base interactions energy: -1508.078
where: short stacking energy: -660.035
Base-Backbone interact. energy: -2.442
local terms energy: -750.775756
where:
bonds (distance) C4'-P energy: -141.241
bonds (distance) P-C4' energy: -140.513
flat angles C4'-P-C4' energy: -162.691
flat angles P-C4'-P energy: -117.321
tors. eta vs tors. theta energy: -189.009
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2061.078520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.078520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.483401 (E_RNA)
where:
Base-Base interactions energy: -1387.545
where: short stacking energy: -615.755
Base-Backbone interact. energy: -1.995
local terms energy: -675.944127
where:
bonds (distance) C4'-P energy: -144.117
bonds (distance) P-C4' energy: -110.691
flat angles C4'-P-C4' energy: -155.901
flat angles P-C4'-P energy: -108.680
tors. eta vs tors. theta energy: -156.555
Dist. restrs. and SS energy: 4.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2025.062769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.062769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.585299 (E_RNA)
where:
Base-Base interactions energy: -1377.207
where: short stacking energy: -595.516
Base-Backbone interact. energy: 0.347
local terms energy: -651.725526
where:
bonds (distance) C4'-P energy: -127.697
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -157.596
flat angles P-C4'-P energy: -98.444
tors. eta vs tors. theta energy: -152.225
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1937.708536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.708536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.489800 (E_RNA)
where:
Base-Base interactions energy: -1309.027
where: short stacking energy: -546.335
Base-Backbone interact. energy: -3.803
local terms energy: -628.660175
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -138.870
flat angles C4'-P-C4' energy: -150.129
flat angles P-C4'-P energy: -77.659
tors. eta vs tors. theta energy: -149.913
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: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1925.760876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.760876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.125354 (E_RNA)
where:
Base-Base interactions energy: -1293.413
where: short stacking energy: -559.951
Base-Backbone interact. energy: -1.614
local terms energy: -634.098588
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -141.027
flat angles C4'-P-C4' energy: -143.449
flat angles P-C4'-P energy: -101.176
tors. eta vs tors. theta energy: -136.471
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: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2892.271858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.271858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.102930 (E_RNA)
where:
Base-Base interactions energy: -1992.174
where: short stacking energy: -816.624
Base-Backbone interact. energy: -4.833
local terms energy: -898.096130
where:
bonds (distance) C4'-P energy: -171.347
bonds (distance) P-C4' energy: -163.978
flat angles C4'-P-C4' energy: -194.178
flat angles P-C4'-P energy: -126.250
tors. eta vs tors. theta energy: -242.343
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: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2789.946409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.946409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.952262 (E_RNA)
where:
Base-Base interactions energy: -1915.869
where: short stacking energy: -793.781
Base-Backbone interact. energy: -5.219
local terms energy: -869.864028
where:
bonds (distance) C4'-P energy: -147.091
bonds (distance) P-C4' energy: -162.906
flat angles C4'-P-C4' energy: -191.735
flat angles P-C4'-P energy: -128.077
tors. eta vs tors. theta energy: -240.056
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: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2709.979768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.979768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.052219 (E_RNA)
where:
Base-Base interactions energy: -1876.456
where: short stacking energy: -749.231
Base-Backbone interact. energy: -0.818
local terms energy: -834.777571
where:
bonds (distance) C4'-P energy: -158.371
bonds (distance) P-C4' energy: -149.671
flat angles C4'-P-C4' energy: -180.251
flat angles P-C4'-P energy: -117.453
tors. eta vs tors. theta energy: -229.031
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2524.875017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.875017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.193010 (E_RNA)
where:
Base-Base interactions energy: -1760.385
where: short stacking energy: -712.133
Base-Backbone interact. energy: -2.720
local terms energy: -764.087827
where:
bonds (distance) C4'-P energy: -145.976
bonds (distance) P-C4' energy: -131.205
flat angles C4'-P-C4' energy: -171.983
flat angles P-C4'-P energy: -112.675
tors. eta vs tors. theta energy: -202.248
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: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2338.744075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.744075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.977455 (E_RNA)
where:
Base-Base interactions energy: -1589.074
where: short stacking energy: -662.433
Base-Backbone interact. energy: -2.510
local terms energy: -750.394277
where:
bonds (distance) C4'-P energy: -140.407
bonds (distance) P-C4' energy: -148.462
flat angles C4'-P-C4' energy: -169.301
flat angles P-C4'-P energy: -113.029
tors. eta vs tors. theta energy: -179.195
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: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2204.847585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.847585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.010398 (E_RNA)
where:
Base-Base interactions energy: -1508.324
where: short stacking energy: -667.756
Base-Backbone interact. energy: 1.681
local terms energy: -700.367685
where:
bonds (distance) C4'-P energy: -114.569
bonds (distance) P-C4' energy: -145.636
flat angles C4'-P-C4' energy: -162.338
flat angles P-C4'-P energy: -103.532
tors. eta vs tors. theta energy: -174.294
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: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2078.108472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.108472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.618952 (E_RNA)
where:
Base-Base interactions energy: -1413.606
where: short stacking energy: -586.231
Base-Backbone interact. energy: 3.389
local terms energy: -671.401973
where:
bonds (distance) C4'-P energy: -124.862
bonds (distance) P-C4' energy: -145.580
flat angles C4'-P-C4' energy: -145.382
flat angles P-C4'-P energy: -97.846
tors. eta vs tors. theta energy: -157.732
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2028.472273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.472273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.584816 (E_RNA)
where:
Base-Base interactions energy: -1359.685
where: short stacking energy: -573.327
Base-Backbone interact. energy: -0.770
local terms energy: -671.130558
where:
bonds (distance) C4'-P energy: -135.545
bonds (distance) P-C4' energy: -144.168
flat angles C4'-P-C4' energy: -146.720
flat angles P-C4'-P energy: -93.756
tors. eta vs tors. theta energy: -150.941
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: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1954.345037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.345037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.231739 (E_RNA)
where:
Base-Base interactions energy: -1292.756
where: short stacking energy: -560.850
Base-Backbone interact. energy: 2.990
local terms energy: -668.465741
where:
bonds (distance) C4'-P energy: -137.886
bonds (distance) P-C4' energy: -148.141
flat angles C4'-P-C4' energy: -150.752
flat angles P-C4'-P energy: -78.772
tors. eta vs tors. theta energy: -152.915
Dist. restrs. and SS energy: 3.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1867.062586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.062586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.325292 (E_RNA)
where:
Base-Base interactions energy: -1290.263
where: short stacking energy: -541.754
Base-Backbone interact. energy: 7.431
local terms energy: -587.493140
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -116.432
flat angles C4'-P-C4' energy: -127.118
flat angles P-C4'-P energy: -88.787
tors. eta vs tors. theta energy: -121.504
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: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2899.753729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.753729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.599266 (E_RNA)
where:
Base-Base interactions energy: -2039.167
where: short stacking energy: -833.147
Base-Backbone interact. energy: -5.954
local terms energy: -856.477985
where:
bonds (distance) C4'-P energy: -147.761
bonds (distance) P-C4' energy: -151.420
flat angles C4'-P-C4' energy: -187.374
flat angles P-C4'-P energy: -131.681
tors. eta vs tors. theta energy: -238.242
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2771.658327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.658327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.804876 (E_RNA)
where:
Base-Base interactions energy: -1933.666
where: short stacking energy: -798.284
Base-Backbone interact. energy: -1.246
local terms energy: -837.892755
where:
bonds (distance) C4'-P energy: -148.617
bonds (distance) P-C4' energy: -159.851
flat angles C4'-P-C4' energy: -171.544
flat angles P-C4'-P energy: -122.420
tors. eta vs tors. theta energy: -235.461
Dist. restrs. and SS energy: 1.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2617.276398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.276398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.312785 (E_RNA)
where:
Base-Base interactions energy: -1814.337
where: short stacking energy: -779.960
Base-Backbone interact. energy: 2.415
local terms energy: -806.390726
where:
bonds (distance) C4'-P energy: -147.691
bonds (distance) P-C4' energy: -152.661
flat angles C4'-P-C4' energy: -171.217
flat angles P-C4'-P energy: -117.949
tors. eta vs tors. theta energy: -216.872
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: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2618.306747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.306747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.770112 (E_RNA)
where:
Base-Base interactions energy: -1803.899
where: short stacking energy: -727.495
Base-Backbone interact. energy: -1.824
local terms energy: -815.047355
where:
bonds (distance) C4'-P energy: -154.395
bonds (distance) P-C4' energy: -172.179
flat angles C4'-P-C4' energy: -174.677
flat angles P-C4'-P energy: -119.323
tors. eta vs tors. theta energy: -194.473
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: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2339.289578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.289578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.854810 (E_RNA)
where:
Base-Base interactions energy: -1591.811
where: short stacking energy: -669.160
Base-Backbone interact. energy: -1.011
local terms energy: -748.032420
where:
bonds (distance) C4'-P energy: -139.792
bonds (distance) P-C4' energy: -148.978
flat angles C4'-P-C4' energy: -163.588
flat angles P-C4'-P energy: -110.413
tors. eta vs tors. theta energy: -185.261
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: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2255.819021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.819021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.092605 (E_RNA)
where:
Base-Base interactions energy: -1514.481
where: short stacking energy: -665.128
Base-Backbone interact. energy: 0.064
local terms energy: -744.675185
where:
bonds (distance) C4'-P energy: -134.406
bonds (distance) P-C4' energy: -140.064
flat angles C4'-P-C4' energy: -171.929
flat angles P-C4'-P energy: -96.404
tors. eta vs tors. theta energy: -201.872
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2077.150396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.150396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.931881 (E_RNA)
where:
Base-Base interactions energy: -1382.068
where: short stacking energy: -590.325
Base-Backbone interact. energy: 0.901
local terms energy: -698.764153
where:
bonds (distance) C4'-P energy: -148.289
bonds (distance) P-C4' energy: -128.405
flat angles C4'-P-C4' energy: -141.770
flat angles P-C4'-P energy: -111.702
tors. eta vs tors. theta energy: -168.598
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2016.366063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.366063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.319958 (E_RNA)
where:
Base-Base interactions energy: -1351.635
where: short stacking energy: -562.448
Base-Backbone interact. energy: -2.445
local terms energy: -665.239816
where:
bonds (distance) C4'-P energy: -136.487
bonds (distance) P-C4' energy: -123.594
flat angles C4'-P-C4' energy: -160.117
flat angles P-C4'-P energy: -91.033
tors. eta vs tors. theta energy: -154.008
Dist. restrs. and SS energy: 2.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1943.063421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.063421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.895387 (E_RNA)
where:
Base-Base interactions energy: -1289.458
where: short stacking energy: -537.696
Base-Backbone interact. energy: -3.063
local terms energy: -653.374376
where:
bonds (distance) C4'-P energy: -131.210
bonds (distance) P-C4' energy: -142.154
flat angles C4'-P-C4' energy: -154.189
flat angles P-C4'-P energy: -92.784
tors. eta vs tors. theta energy: -133.038
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: 282
Temperature: 1.350000
Total energy: -1843.524161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.524161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.964763 (E_RNA)
where:
Base-Base interactions energy: -1253.025
where: short stacking energy: -516.310
Base-Backbone interact. energy: 3.180
local terms energy: -597.120145
where:
bonds (distance) C4'-P energy: -122.924
bonds (distance) P-C4' energy: -121.490
flat angles C4'-P-C4' energy: -129.820
flat angles P-C4'-P energy: -91.891
tors. eta vs tors. theta energy: -130.995
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: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2885.865089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.865089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.702234 (E_RNA)
where:
Base-Base interactions energy: -2002.620
where: short stacking energy: -826.456
Base-Backbone interact. energy: 2.326
local terms energy: -887.408272
where:
bonds (distance) C4'-P energy: -158.453
bonds (distance) P-C4' energy: -162.581
flat angles C4'-P-C4' energy: -193.657
flat angles P-C4'-P energy: -128.738
tors. eta vs tors. theta energy: -243.980
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: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2825.168991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.168991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.626139 (E_RNA)
where:
Base-Base interactions energy: -1981.858
where: short stacking energy: -817.310
Base-Backbone interact. energy: -3.825
local terms energy: -841.943095
where:
bonds (distance) C4'-P energy: -136.373
bonds (distance) P-C4' energy: -164.268
flat angles C4'-P-C4' energy: -190.119
flat angles P-C4'-P energy: -110.737
tors. eta vs tors. theta energy: -240.444
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2589.281072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.281072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.764969 (E_RNA)
where:
Base-Base interactions energy: -1764.606
where: short stacking energy: -741.780
Base-Backbone interact. energy: -4.860
local terms energy: -821.299565
where:
bonds (distance) C4'-P energy: -140.909
bonds (distance) P-C4' energy: -172.013
flat angles C4'-P-C4' energy: -177.834
flat angles P-C4'-P energy: -118.842
tors. eta vs tors. theta energy: -211.701
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2649.060651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.060651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.643955 (E_RNA)
where:
Base-Base interactions energy: -1877.235
where: short stacking energy: -778.966
Base-Backbone interact. energy: -0.473
local terms energy: -773.936561
where:
bonds (distance) C4'-P energy: -149.647
bonds (distance) P-C4' energy: -134.891
flat angles C4'-P-C4' energy: -156.358
flat angles P-C4'-P energy: -104.695
tors. eta vs tors. theta energy: -228.346
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2281.518359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.518359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.140595 (E_RNA)
where:
Base-Base interactions energy: -1531.356
where: short stacking energy: -657.219
Base-Backbone interact. energy: -1.300
local terms energy: -750.484704
where:
bonds (distance) C4'-P energy: -138.009
bonds (distance) P-C4' energy: -171.483
flat angles C4'-P-C4' energy: -155.954
flat angles P-C4'-P energy: -109.729
tors. eta vs tors. theta energy: -175.309
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: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2197.615262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.615262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.237361 (E_RNA)
where:
Base-Base interactions energy: -1477.448
where: short stacking energy: -647.556
Base-Backbone interact. energy: -1.576
local terms energy: -722.213679
where:
bonds (distance) C4'-P energy: -129.104
bonds (distance) P-C4' energy: -147.241
flat angles C4'-P-C4' energy: -167.734
flat angles P-C4'-P energy: -110.469
tors. eta vs tors. theta energy: -167.666
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: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2075.070529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.070529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.720830 (E_RNA)
where:
Base-Base interactions energy: -1393.117
where: short stacking energy: -602.478
Base-Backbone interact. energy: -1.632
local terms energy: -681.971940
where:
bonds (distance) C4'-P energy: -130.322
bonds (distance) P-C4' energy: -136.123
flat angles C4'-P-C4' energy: -155.837
flat angles P-C4'-P energy: -99.927
tors. eta vs tors. theta energy: -159.763
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: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2012.385293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.385293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.233437 (E_RNA)
where:
Base-Base interactions energy: -1380.492
where: short stacking energy: -600.220
Base-Backbone interact. energy: -0.796
local terms energy: -634.946344
where:
bonds (distance) C4'-P energy: -115.748
bonds (distance) P-C4' energy: -124.286
flat angles C4'-P-C4' energy: -132.451
flat angles P-C4'-P energy: -93.266
tors. eta vs tors. theta energy: -169.196
Dist. restrs. and SS energy: 3.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1956.139449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.139449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.660785 (E_RNA)
where:
Base-Base interactions energy: -1337.220
where: short stacking energy: -566.314
Base-Backbone interact. energy: -2.966
local terms energy: -618.474794
where:
bonds (distance) C4'-P energy: -115.256
bonds (distance) P-C4' energy: -126.477
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -109.060
tors. eta vs tors. theta energy: -149.920
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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1872.513985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.513985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.195696 (E_RNA)
where:
Base-Base interactions energy: -1242.511
where: short stacking energy: -539.544
Base-Backbone interact. energy: 0.507
local terms energy: -633.191501
where:
bonds (distance) C4'-P energy: -131.993
bonds (distance) P-C4' energy: -139.898
flat angles C4'-P-C4' energy: -147.040
flat angles P-C4'-P energy: -74.148
tors. eta vs tors. theta energy: -140.112
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2899.278609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.278609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.963828 (E_RNA)
where:
Base-Base interactions energy: -2019.934
where: short stacking energy: -827.516
Base-Backbone interact. energy: -3.688
local terms energy: -877.341383
where:
bonds (distance) C4'-P energy: -145.658
bonds (distance) P-C4' energy: -153.947
flat angles C4'-P-C4' energy: -193.364
flat angles P-C4'-P energy: -137.158
tors. eta vs tors. theta energy: -247.214
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: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2814.319103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.319103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.349333 (E_RNA)
where:
Base-Base interactions energy: -1985.720
where: short stacking energy: -802.483
Base-Backbone interact. energy: 0.236
local terms energy: -829.865425
where:
bonds (distance) C4'-P energy: -160.327
bonds (distance) P-C4' energy: -140.694
flat angles C4'-P-C4' energy: -185.421
flat angles P-C4'-P energy: -114.329
tors. eta vs tors. theta energy: -229.095
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2727.385866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.385866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.297526 (E_RNA)
where:
Base-Base interactions energy: -1936.610
where: short stacking energy: -775.845
Base-Backbone interact. energy: -2.499
local terms energy: -789.187935
where:
bonds (distance) C4'-P energy: -151.725
bonds (distance) P-C4' energy: -134.202
flat angles C4'-P-C4' energy: -165.479
flat angles P-C4'-P energy: -114.727
tors. eta vs tors. theta energy: -223.055
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: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2497.758524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.758524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.396794 (E_RNA)
where:
Base-Base interactions energy: -1697.486
where: short stacking energy: -704.980
Base-Backbone interact. energy: -1.923
local terms energy: -800.988299
where:
bonds (distance) C4'-P energy: -153.220
bonds (distance) P-C4' energy: -161.680
flat angles C4'-P-C4' energy: -175.374
flat angles P-C4'-P energy: -105.624
tors. eta vs tors. theta energy: -205.091
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: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2319.382427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.382427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.058385 (E_RNA)
where:
Base-Base interactions energy: -1569.511
where: short stacking energy: -703.179
Base-Backbone interact. energy: 0.115
local terms energy: -753.662537
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -155.172
flat angles C4'-P-C4' energy: -166.573
flat angles P-C4'-P energy: -107.007
tors. eta vs tors. theta energy: -194.427
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: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2211.675631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.675631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.345498 (E_RNA)
where:
Base-Base interactions energy: -1505.243
where: short stacking energy: -654.459
Base-Backbone interact. energy: 2.551
local terms energy: -710.653722
where:
bonds (distance) C4'-P energy: -122.641
bonds (distance) P-C4' energy: -143.311
flat angles C4'-P-C4' energy: -157.520
flat angles P-C4'-P energy: -112.490
tors. eta vs tors. theta energy: -174.692
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: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2065.019130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.019130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.056418 (E_RNA)
where:
Base-Base interactions energy: -1394.272
where: short stacking energy: -585.831
Base-Backbone interact. energy: -0.956
local terms energy: -671.828969
where:
bonds (distance) C4'-P energy: -153.848
bonds (distance) P-C4' energy: -134.763
flat angles C4'-P-C4' energy: -136.134
flat angles P-C4'-P energy: -91.313
tors. eta vs tors. theta energy: -155.772
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: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2039.332568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.332568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.075129 (E_RNA)
where:
Base-Base interactions energy: -1394.989
where: short stacking energy: -594.927
Base-Backbone interact. energy: 0.869
local terms energy: -648.955206
where:
bonds (distance) C4'-P energy: -117.133
bonds (distance) P-C4' energy: -124.484
flat angles C4'-P-C4' energy: -140.596
flat angles P-C4'-P energy: -100.937
tors. eta vs tors. theta energy: -165.805
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1986.564421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.564421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.636980 (E_RNA)
where:
Base-Base interactions energy: -1352.748
where: short stacking energy: -557.299
Base-Backbone interact. energy: -3.283
local terms energy: -632.606396
where:
bonds (distance) C4'-P energy: -122.241
bonds (distance) P-C4' energy: -128.413
flat angles C4'-P-C4' energy: -147.401
flat angles P-C4'-P energy: -85.134
tors. eta vs tors. theta energy: -149.418
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: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1857.644696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.644696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.418085 (E_RNA)
where:
Base-Base interactions energy: -1258.795
where: short stacking energy: -519.739
Base-Backbone interact. energy: 0.641
local terms energy: -602.263893
where:
bonds (distance) C4'-P energy: -145.545
bonds (distance) P-C4' energy: -119.350
flat angles C4'-P-C4' energy: -131.608
flat angles P-C4'-P energy: -63.463
tors. eta vs tors. theta energy: -142.298
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: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2888.854346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.854346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.705965 (E_RNA)
where:
Base-Base interactions energy: -2015.880
where: short stacking energy: -823.762
Base-Backbone interact. energy: -3.503
local terms energy: -872.323203
where:
bonds (distance) C4'-P energy: -166.587
bonds (distance) P-C4' energy: -167.253
flat angles C4'-P-C4' energy: -179.445
flat angles P-C4'-P energy: -119.512
tors. eta vs tors. theta energy: -239.527
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: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2810.282963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.282963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.587626 (E_RNA)
where:
Base-Base interactions energy: -1939.096
where: short stacking energy: -799.305
Base-Backbone interact. energy: -5.547
local terms energy: -866.944480
where:
bonds (distance) C4'-P energy: -153.697
bonds (distance) P-C4' energy: -166.195
flat angles C4'-P-C4' energy: -185.674
flat angles P-C4'-P energy: -137.809
tors. eta vs tors. theta energy: -223.569
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2680.210763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.210763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.828453 (E_RNA)
where:
Base-Base interactions energy: -1874.935
where: short stacking energy: -766.484
Base-Backbone interact. energy: 4.021
local terms energy: -810.914155
where:
bonds (distance) C4'-P energy: -148.095
bonds (distance) P-C4' energy: -135.842
flat angles C4'-P-C4' energy: -180.341
flat angles P-C4'-P energy: -123.157
tors. eta vs tors. theta energy: -223.479
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: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2502.130265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.130265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.645086 (E_RNA)
where:
Base-Base interactions energy: -1734.590
where: short stacking energy: -732.764
Base-Backbone interact. energy: 0.297
local terms energy: -770.352194
where:
bonds (distance) C4'-P energy: -137.464
bonds (distance) P-C4' energy: -160.328
flat angles C4'-P-C4' energy: -168.730
flat angles P-C4'-P energy: -101.805
tors. eta vs tors. theta energy: -202.026
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: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2359.599329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.599329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.408792 (E_RNA)
where:
Base-Base interactions energy: -1606.558
where: short stacking energy: -671.643
Base-Backbone interact. energy: -2.873
local terms energy: -751.977442
where:
bonds (distance) C4'-P energy: -147.626
bonds (distance) P-C4' energy: -120.708
flat angles C4'-P-C4' energy: -176.692
flat angles P-C4'-P energy: -110.924
tors. eta vs tors. theta energy: -196.027
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2184.920400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.920400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.263645 (E_RNA)
where:
Base-Base interactions energy: -1477.718
where: short stacking energy: -627.434
Base-Backbone interact. energy: 0.179
local terms energy: -709.724882
where:
bonds (distance) C4'-P energy: -136.033
bonds (distance) P-C4' energy: -148.688
flat angles C4'-P-C4' energy: -166.436
flat angles P-C4'-P energy: -98.037
tors. eta vs tors. theta energy: -160.531
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2096.292420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.292420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.645339 (E_RNA)
where:
Base-Base interactions energy: -1414.754
where: short stacking energy: -642.048
Base-Backbone interact. energy: -2.461
local terms energy: -681.430534
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -123.947
flat angles C4'-P-C4' energy: -162.682
flat angles P-C4'-P energy: -90.769
tors. eta vs tors. theta energy: -173.712
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2026.272233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.272233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.794011 (E_RNA)
where:
Base-Base interactions energy: -1379.621
where: short stacking energy: -593.048
Base-Backbone interact. energy: -1.157
local terms energy: -649.015742
where:
bonds (distance) C4'-P energy: -127.045
bonds (distance) P-C4' energy: -131.570
flat angles C4'-P-C4' energy: -141.308
flat angles P-C4'-P energy: -81.531
tors. eta vs tors. theta energy: -167.562
Dist. restrs. and SS energy: 3.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1988.319303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.319303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.109428 (E_RNA)
where:
Base-Base interactions energy: -1337.647
where: short stacking energy: -563.932
Base-Backbone interact. energy: -1.681
local terms energy: -651.781617
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -152.168
flat angles C4'-P-C4' energy: -160.973
flat angles P-C4'-P energy: -72.631
tors. eta vs tors. theta energy: -139.085
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: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1895.281838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.281838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.581640 (E_RNA)
where:
Base-Base interactions energy: -1299.713
where: short stacking energy: -540.635
Base-Backbone interact. energy: 2.014
local terms energy: -600.882669
where:
bonds (distance) C4'-P energy: -133.356
bonds (distance) P-C4' energy: -126.327
flat angles C4'-P-C4' energy: -115.251
flat angles P-C4'-P energy: -97.541
tors. eta vs tors. theta energy: -128.409
Dist. restrs. and SS energy: 3.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2863.346264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.346264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.869586 (E_RNA)
where:
Base-Base interactions energy: -2004.715
where: short stacking energy: -803.372
Base-Backbone interact. energy: -2.244
local terms energy: -858.910210
where:
bonds (distance) C4'-P energy: -148.148
bonds (distance) P-C4' energy: -170.089
flat angles C4'-P-C4' energy: -185.393
flat angles P-C4'-P energy: -125.945
tors. eta vs tors. theta energy: -229.336
Dist. restrs. and SS energy: 2.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2792.448281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.448281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.132484 (E_RNA)
where:
Base-Base interactions energy: -1932.069
where: short stacking energy: -798.556
Base-Backbone interact. energy: -4.429
local terms energy: -857.634634
where:
bonds (distance) C4'-P energy: -163.525
bonds (distance) P-C4' energy: -161.302
flat angles C4'-P-C4' energy: -186.564
flat angles P-C4'-P energy: -111.868
tors. eta vs tors. theta energy: -234.376
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2681.513924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.513924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.498860 (E_RNA)
where:
Base-Base interactions energy: -1868.210
where: short stacking energy: -783.146
Base-Backbone interact. energy: -1.607
local terms energy: -813.682542
where:
bonds (distance) C4'-P energy: -140.366
bonds (distance) P-C4' energy: -156.173
flat angles C4'-P-C4' energy: -176.694
flat angles P-C4'-P energy: -114.631
tors. eta vs tors. theta energy: -225.819
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2537.667170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.667170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.597062 (E_RNA)
where:
Base-Base interactions energy: -1734.849
where: short stacking energy: -745.044
Base-Backbone interact. energy: -0.928
local terms energy: -803.819558
where:
bonds (distance) C4'-P energy: -149.751
bonds (distance) P-C4' energy: -166.694
flat angles C4'-P-C4' energy: -167.287
flat angles P-C4'-P energy: -110.241
tors. eta vs tors. theta energy: -209.847
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: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2308.354621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.354621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.597539 (E_RNA)
where:
Base-Base interactions energy: -1550.919
where: short stacking energy: -657.195
Base-Backbone interact. energy: -4.937
local terms energy: -753.742098
where:
bonds (distance) C4'-P energy: -144.414
bonds (distance) P-C4' energy: -143.928
flat angles C4'-P-C4' energy: -187.150
flat angles P-C4'-P energy: -109.784
tors. eta vs tors. theta energy: -168.465
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: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2307.997138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.997138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.218576 (E_RNA)
where:
Base-Base interactions energy: -1599.202
where: short stacking energy: -687.572
Base-Backbone interact. energy: -4.142
local terms energy: -706.875237
where:
bonds (distance) C4'-P energy: -107.852
bonds (distance) P-C4' energy: -150.766
flat angles C4'-P-C4' energy: -170.782
flat angles P-C4'-P energy: -93.504
tors. eta vs tors. theta energy: -183.971
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2086.698805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.698805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.391131 (E_RNA)
where:
Base-Base interactions energy: -1415.718
where: short stacking energy: -611.093
Base-Backbone interact. energy: -1.473
local terms energy: -673.200581
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -130.961
flat angles C4'-P-C4' energy: -152.624
flat angles P-C4'-P energy: -88.087
tors. eta vs tors. theta energy: -163.638
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: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2013.184225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.184225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.841900 (E_RNA)
where:
Base-Base interactions energy: -1336.843
where: short stacking energy: -563.897
Base-Backbone interact. energy: -0.765
local terms energy: -679.234193
where:
bonds (distance) C4'-P energy: -134.818
bonds (distance) P-C4' energy: -144.356
flat angles C4'-P-C4' energy: -143.466
flat angles P-C4'-P energy: -93.256
tors. eta vs tors. theta energy: -163.338
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: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1953.070099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.070099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.424810 (E_RNA)
where:
Base-Base interactions energy: -1284.293
where: short stacking energy: -560.042
Base-Backbone interact. energy: -0.038
local terms energy: -671.093797
where:
bonds (distance) C4'-P energy: -137.046
bonds (distance) P-C4' energy: -133.218
flat angles C4'-P-C4' energy: -136.474
flat angles P-C4'-P energy: -116.486
tors. eta vs tors. theta energy: -147.870
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: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1859.728714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.728714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.003370 (E_RNA)
where:
Base-Base interactions energy: -1250.352
where: short stacking energy: -515.175
Base-Backbone interact. energy: 0.588
local terms energy: -612.239092
where:
bonds (distance) C4'-P energy: -115.443
bonds (distance) P-C4' energy: -105.145
flat angles C4'-P-C4' energy: -139.586
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -145.302
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: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2852.912205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.912205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.565479 (E_RNA)
where:
Base-Base interactions energy: -1995.997
where: short stacking energy: -826.282
Base-Backbone interact. energy: -2.529
local terms energy: -857.039118
where:
bonds (distance) C4'-P energy: -144.854
bonds (distance) P-C4' energy: -155.498
flat angles C4'-P-C4' energy: -193.106
flat angles P-C4'-P energy: -132.291
tors. eta vs tors. theta energy: -231.290
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: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2742.560772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.560772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.283585 (E_RNA)
where:
Base-Base interactions energy: -1890.210
where: short stacking energy: -762.961
Base-Backbone interact. energy: -1.999
local terms energy: -852.073987
where:
bonds (distance) C4'-P energy: -160.786
bonds (distance) P-C4' energy: -165.072
flat angles C4'-P-C4' energy: -179.198
flat angles P-C4'-P energy: -117.792
tors. eta vs tors. theta energy: -229.227
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2721.784538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.784538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.149507 (E_RNA)
where:
Base-Base interactions energy: -1886.023
where: short stacking energy: -773.225
Base-Backbone interact. energy: -3.285
local terms energy: -833.841852
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -176.464
flat angles C4'-P-C4' energy: -168.140
flat angles P-C4'-P energy: -116.934
tors. eta vs tors. theta energy: -231.203
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: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2559.287964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.287964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.484575 (E_RNA)
where:
Base-Base interactions energy: -1776.320
where: short stacking energy: -749.075
Base-Backbone interact. energy: 0.940
local terms energy: -785.104783
where:
bonds (distance) C4'-P energy: -131.352
bonds (distance) P-C4' energy: -143.134
flat angles C4'-P-C4' energy: -188.590
flat angles P-C4'-P energy: -111.484
tors. eta vs tors. theta energy: -210.544
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: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2360.292784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.292784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.761316 (E_RNA)
where:
Base-Base interactions energy: -1607.700
where: short stacking energy: -681.030
Base-Backbone interact. energy: -2.086
local terms energy: -752.975013
where:
bonds (distance) C4'-P energy: -160.344
bonds (distance) P-C4' energy: -150.579
flat angles C4'-P-C4' energy: -151.168
flat angles P-C4'-P energy: -104.832
tors. eta vs tors. theta energy: -186.052
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2266.167809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.167809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.226412 (E_RNA)
where:
Base-Base interactions energy: -1563.432
where: short stacking energy: -636.072
Base-Backbone interact. energy: -0.534
local terms energy: -705.260633
where:
bonds (distance) C4'-P energy: -131.633
bonds (distance) P-C4' energy: -141.065
flat angles C4'-P-C4' energy: -169.304
flat angles P-C4'-P energy: -87.978
tors. eta vs tors. theta energy: -175.282
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: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2093.651014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.651014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.969959 (E_RNA)
where:
Base-Base interactions energy: -1439.837
where: short stacking energy: -621.639
Base-Backbone interact. energy: 1.109
local terms energy: -660.241846
where:
bonds (distance) C4'-P energy: -133.414
bonds (distance) P-C4' energy: -130.438
flat angles C4'-P-C4' energy: -148.410
flat angles P-C4'-P energy: -74.094
tors. eta vs tors. theta energy: -173.887
Dist. restrs. and SS energy: 5.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -2033.454410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.454410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.810159 (E_RNA)
where:
Base-Base interactions energy: -1364.449
where: short stacking energy: -588.078
Base-Backbone interact. energy: -1.009
local terms energy: -670.352185
where:
bonds (distance) C4'-P energy: -148.692
bonds (distance) P-C4' energy: -116.300
flat angles C4'-P-C4' energy: -144.453
flat angles P-C4'-P energy: -107.405
tors. eta vs tors. theta energy: -153.502
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: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1965.566025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.566025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.346730 (E_RNA)
where:
Base-Base interactions energy: -1356.419
where: short stacking energy: -585.185
Base-Backbone interact. energy: 0.715
local terms energy: -614.643315
where:
bonds (distance) C4'-P energy: -134.804
bonds (distance) P-C4' energy: -118.387
flat angles C4'-P-C4' energy: -147.200
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -141.794
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1851.334565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.334565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.706586 (E_RNA)
where:
Base-Base interactions energy: -1257.318
where: short stacking energy: -523.485
Base-Backbone interact. energy: -1.644
local terms energy: -594.744635
where:
bonds (distance) C4'-P energy: -112.333
bonds (distance) P-C4' energy: -136.804
flat angles C4'-P-C4' energy: -135.184
flat angles P-C4'-P energy: -86.156
tors. eta vs tors. theta energy: -124.268
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: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2818.547063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.547063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.323336 (E_RNA)
where:
Base-Base interactions energy: -1959.046
where: short stacking energy: -794.649
Base-Backbone interact. energy: -1.610
local terms energy: -860.666810
where:
bonds (distance) C4'-P energy: -163.683
bonds (distance) P-C4' energy: -166.841
flat angles C4'-P-C4' energy: -183.105
flat angles P-C4'-P energy: -122.004
tors. eta vs tors. theta energy: -225.033
Dist. restrs. and SS energy: 2.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2762.781339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.118164 (E_RNA)
where:
Base-Base interactions energy: -1907.732
where: short stacking energy: -809.485
Base-Backbone interact. energy: -0.456
local terms energy: -855.930223
where:
bonds (distance) C4'-P energy: -154.702
bonds (distance) P-C4' energy: -172.818
flat angles C4'-P-C4' energy: -177.663
flat angles P-C4'-P energy: -124.268
tors. eta vs tors. theta energy: -226.480
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: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2702.269189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.269189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.689850 (E_RNA)
where:
Base-Base interactions energy: -1886.606
where: short stacking energy: -749.420
Base-Backbone interact. energy: -1.307
local terms energy: -815.776727
where:
bonds (distance) C4'-P energy: -148.764
bonds (distance) P-C4' energy: -151.385
flat angles C4'-P-C4' energy: -175.121
flat angles P-C4'-P energy: -121.295
tors. eta vs tors. theta energy: -219.212
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: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2499.320871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.320871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.192737 (E_RNA)
where:
Base-Base interactions energy: -1729.735
where: short stacking energy: -732.058
Base-Backbone interact. energy: -1.908
local terms energy: -768.549577
where:
bonds (distance) C4'-P energy: -142.114
bonds (distance) P-C4' energy: -138.725
flat angles C4'-P-C4' energy: -164.219
flat angles P-C4'-P energy: -111.333
tors. eta vs tors. theta energy: -212.159
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: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2376.615608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.615608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.434153 (E_RNA)
where:
Base-Base interactions energy: -1637.715
where: short stacking energy: -684.584
Base-Backbone interact. energy: 2.801
local terms energy: -744.520078
where:
bonds (distance) C4'-P energy: -136.986
bonds (distance) P-C4' energy: -149.748
flat angles C4'-P-C4' energy: -156.968
flat angles P-C4'-P energy: -106.335
tors. eta vs tors. theta energy: -194.484
Dist. restrs. and SS energy: 2.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2218.421988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.421988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.074675 (E_RNA)
where:
Base-Base interactions energy: -1497.145
where: short stacking energy: -627.850
Base-Backbone interact. energy: -4.860
local terms energy: -719.069371
where:
bonds (distance) C4'-P energy: -134.661
bonds (distance) P-C4' energy: -143.405
flat angles C4'-P-C4' energy: -158.318
flat angles P-C4'-P energy: -111.511
tors. eta vs tors. theta energy: -171.174
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2083.666945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.666945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.797254 (E_RNA)
where:
Base-Base interactions energy: -1399.158
where: short stacking energy: -613.216
Base-Backbone interact. energy: -1.663
local terms energy: -685.976210
where:
bonds (distance) C4'-P energy: -131.694
bonds (distance) P-C4' energy: -130.071
flat angles C4'-P-C4' energy: -162.250
flat angles P-C4'-P energy: -95.792
tors. eta vs tors. theta energy: -166.169
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2036.594530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.427983 (E_RNA)
where:
Base-Base interactions energy: -1389.646
where: short stacking energy: -590.320
Base-Backbone interact. energy: -0.215
local terms energy: -649.566756
where:
bonds (distance) C4'-P energy: -111.779
bonds (distance) P-C4' energy: -146.644
flat angles C4'-P-C4' energy: -143.522
flat angles P-C4'-P energy: -97.466
tors. eta vs tors. theta energy: -150.156
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: 288
Temperature: 1.300000
Total energy: -1959.655855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.655855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.850931 (E_RNA)
where:
Base-Base interactions energy: -1311.029
where: short stacking energy: -580.663
Base-Backbone interact. energy: -0.013
local terms energy: -651.809831
where:
bonds (distance) C4'-P energy: -124.146
bonds (distance) P-C4' energy: -138.464
flat angles C4'-P-C4' energy: -151.043
flat angles P-C4'-P energy: -75.481
tors. eta vs tors. theta energy: -162.675
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1939.567429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.567429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.778123 (E_RNA)
where:
Base-Base interactions energy: -1333.861
where: short stacking energy: -570.790
Base-Backbone interact. energy: 2.773
local terms energy: -613.689988
where:
bonds (distance) C4'-P energy: -132.283
bonds (distance) P-C4' energy: -142.276
flat angles C4'-P-C4' energy: -132.353
flat angles P-C4'-P energy: -69.297
tors. eta vs tors. theta energy: -137.480
Dist. restrs. and SS energy: 5.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2815.429419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.429419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.260013 (E_RNA)
where:
Base-Base interactions energy: -1941.204
where: short stacking energy: -798.073
Base-Backbone interact. energy: 1.711
local terms energy: -877.766808
where:
bonds (distance) C4'-P energy: -161.302
bonds (distance) P-C4' energy: -167.172
flat angles C4'-P-C4' energy: -182.563
flat angles P-C4'-P energy: -130.196
tors. eta vs tors. theta energy: -236.533
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2766.238296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.238296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.262371 (E_RNA)
where:
Base-Base interactions energy: -1904.769
where: short stacking energy: -805.916
Base-Backbone interact. energy: 2.869
local terms energy: -866.362266
where:
bonds (distance) C4'-P energy: -148.633
bonds (distance) P-C4' energy: -173.962
flat angles C4'-P-C4' energy: -179.259
flat angles P-C4'-P energy: -118.770
tors. eta vs tors. theta energy: -245.738
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: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2696.057229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.057229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.521105 (E_RNA)
where:
Base-Base interactions energy: -1897.383
where: short stacking energy: -760.602
Base-Backbone interact. energy: -2.979
local terms energy: -798.159200
where:
bonds (distance) C4'-P energy: -148.720
bonds (distance) P-C4' energy: -149.366
flat angles C4'-P-C4' energy: -173.205
flat angles P-C4'-P energy: -110.932
tors. eta vs tors. theta energy: -215.936
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: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2502.400206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.400206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.056227 (E_RNA)
where:
Base-Base interactions energy: -1707.228
where: short stacking energy: -724.649
Base-Backbone interact. energy: -0.723
local terms energy: -796.104703
where:
bonds (distance) C4'-P energy: -139.721
bonds (distance) P-C4' energy: -136.401
flat angles C4'-P-C4' energy: -177.076
flat angles P-C4'-P energy: -126.815
tors. eta vs tors. theta energy: -216.092
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: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2414.458971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.458971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.926990 (E_RNA)
where:
Base-Base interactions energy: -1612.635
where: short stacking energy: -710.607
Base-Backbone interact. energy: -0.485
local terms energy: -803.806390
where:
bonds (distance) C4'-P energy: -138.835
bonds (distance) P-C4' energy: -172.144
flat angles C4'-P-C4' energy: -171.399
flat angles P-C4'-P energy: -122.501
tors. eta vs tors. theta energy: -198.928
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2191.789337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.789337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.681395 (E_RNA)
where:
Base-Base interactions energy: -1477.171
where: short stacking energy: -622.153
Base-Backbone interact. energy: -3.949
local terms energy: -712.561923
where:
bonds (distance) C4'-P energy: -137.440
bonds (distance) P-C4' energy: -137.510
flat angles C4'-P-C4' energy: -154.243
flat angles P-C4'-P energy: -114.657
tors. eta vs tors. theta energy: -168.712
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: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2078.329003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.329003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.933371 (E_RNA)
where:
Base-Base interactions energy: -1399.200
where: short stacking energy: -628.557
Base-Backbone interact. energy: -0.351
local terms energy: -683.382209
where:
bonds (distance) C4'-P energy: -130.708
bonds (distance) P-C4' energy: -143.619
flat angles C4'-P-C4' energy: -156.552
flat angles P-C4'-P energy: -91.760
tors. eta vs tors. theta energy: -160.743
Dist. restrs. and SS energy: 4.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1986.785614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.785614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.533496 (E_RNA)
where:
Base-Base interactions energy: -1338.292
where: short stacking energy: -550.486
Base-Backbone interact. energy: -2.132
local terms energy: -652.109617
where:
bonds (distance) C4'-P energy: -121.905
bonds (distance) P-C4' energy: -131.793
flat angles C4'-P-C4' energy: -166.382
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -140.224
Dist. restrs. and SS energy: 5.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1960.162541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.162541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.661618 (E_RNA)
where:
Base-Base interactions energy: -1325.819
where: short stacking energy: -583.506
Base-Backbone interact. energy: 2.067
local terms energy: -639.909154
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -153.650
flat angles C4'-P-C4' energy: -134.356
flat angles P-C4'-P energy: -80.336
tors. eta vs tors. theta energy: -162.762
Dist. restrs. and SS energy: 3.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1888.379264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.379264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.395003 (E_RNA)
where:
Base-Base interactions energy: -1263.793
where: short stacking energy: -516.799
Base-Backbone interact. energy: -1.654
local terms energy: -624.947893
where:
bonds (distance) C4'-P energy: -118.072
bonds (distance) P-C4' energy: -120.774
flat angles C4'-P-C4' energy: -146.875
flat angles P-C4'-P energy: -102.911
tors. eta vs tors. theta energy: -136.315
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2823.883946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.883946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.191507 (E_RNA)
where:
Base-Base interactions energy: -1963.126
where: short stacking energy: -795.635
Base-Backbone interact. energy: -3.738
local terms energy: -858.327241
where:
bonds (distance) C4'-P energy: -161.282
bonds (distance) P-C4' energy: -165.087
flat angles C4'-P-C4' energy: -181.223
flat angles P-C4'-P energy: -123.695
tors. eta vs tors. theta energy: -227.040
Dist. restrs. and SS energy: 1.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2808.519623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.519623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.854151 (E_RNA)
where:
Base-Base interactions energy: -1923.829
where: short stacking energy: -802.222
Base-Backbone interact. energy: -6.580
local terms energy: -880.445592
where:
bonds (distance) C4'-P energy: -160.225
bonds (distance) P-C4' energy: -164.866
flat angles C4'-P-C4' energy: -177.453
flat angles P-C4'-P energy: -124.674
tors. eta vs tors. theta energy: -253.228
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2683.929129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.929129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.281435 (E_RNA)
where:
Base-Base interactions energy: -1891.057
where: short stacking energy: -780.284
Base-Backbone interact. energy: 0.988
local terms energy: -795.212661
where:
bonds (distance) C4'-P energy: -141.534
bonds (distance) P-C4' energy: -141.062
flat angles C4'-P-C4' energy: -181.664
flat angles P-C4'-P energy: -110.034
tors. eta vs tors. theta energy: -220.918
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2516.045536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.045536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.186132 (E_RNA)
where:
Base-Base interactions energy: -1708.457
where: short stacking energy: -720.415
Base-Backbone interact. energy: -1.514
local terms energy: -808.215125
where:
bonds (distance) C4'-P energy: -151.858
bonds (distance) P-C4' energy: -151.865
flat angles C4'-P-C4' energy: -180.390
flat angles P-C4'-P energy: -115.008
tors. eta vs tors. theta energy: -209.094
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2376.562308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.562308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.935219 (E_RNA)
where:
Base-Base interactions energy: -1656.015
where: short stacking energy: -715.954
Base-Backbone interact. energy: -4.015
local terms energy: -718.905798
where:
bonds (distance) C4'-P energy: -129.481
bonds (distance) P-C4' energy: -132.600
flat angles C4'-P-C4' energy: -159.373
flat angles P-C4'-P energy: -100.454
tors. eta vs tors. theta energy: -196.997
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: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2187.323782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.323782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.440437 (E_RNA)
where:
Base-Base interactions energy: -1482.169
where: short stacking energy: -613.251
Base-Backbone interact. energy: 0.255
local terms energy: -707.526445
where:
bonds (distance) C4'-P energy: -136.275
bonds (distance) P-C4' energy: -132.190
flat angles C4'-P-C4' energy: -163.781
flat angles P-C4'-P energy: -102.730
tors. eta vs tors. theta energy: -172.550
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2113.918994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.918994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.349428 (E_RNA)
where:
Base-Base interactions energy: -1398.985
where: short stacking energy: -624.391
Base-Backbone interact. energy: -4.197
local terms energy: -713.167474
where:
bonds (distance) C4'-P energy: -141.948
bonds (distance) P-C4' energy: -140.106
flat angles C4'-P-C4' energy: -158.181
flat angles P-C4'-P energy: -98.445
tors. eta vs tors. theta energy: -174.488
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: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2050.862256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.862256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.028369 (E_RNA)
where:
Base-Base interactions energy: -1423.637
where: short stacking energy: -602.739
Base-Backbone interact. energy: 6.099
local terms energy: -635.489669
where:
bonds (distance) C4'-P energy: -127.550
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -155.022
flat angles P-C4'-P energy: -71.116
tors. eta vs tors. theta energy: -155.645
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: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1948.776663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.362350 (E_RNA)
where:
Base-Base interactions energy: -1305.941
where: short stacking energy: -564.415
Base-Backbone interact. energy: 2.466
local terms energy: -647.887281
where:
bonds (distance) C4'-P energy: -138.415
bonds (distance) P-C4' energy: -135.359
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -86.727
tors. eta vs tors. theta energy: -138.101
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: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1914.565813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.565813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.587573 (E_RNA)
where:
Base-Base interactions energy: -1302.858
where: short stacking energy: -505.219
Base-Backbone interact. energy: 0.462
local terms energy: -614.191043
where:
bonds (distance) C4'-P energy: -106.666
bonds (distance) P-C4' energy: -142.191
flat angles C4'-P-C4' energy: -137.773
flat angles P-C4'-P energy: -103.048
tors. eta vs tors. theta energy: -124.514
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: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2852.401454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.401454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.562801 (E_RNA)
where:
Base-Base interactions energy: -2003.538
where: short stacking energy: -826.710
Base-Backbone interact. energy: -3.906
local terms energy: -846.118607
where:
bonds (distance) C4'-P energy: -159.218
bonds (distance) P-C4' energy: -141.590
flat angles C4'-P-C4' energy: -181.174
flat angles P-C4'-P energy: -131.816
tors. eta vs tors. theta energy: -232.321
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: 291
Temperature: 0.950000
Total energy: -2811.985401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.985401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.808230 (E_RNA)
where:
Base-Base interactions energy: -1951.704
where: short stacking energy: -821.794
Base-Backbone interact. energy: -3.600
local terms energy: -858.504095
where:
bonds (distance) C4'-P energy: -154.585
bonds (distance) P-C4' energy: -156.569
flat angles C4'-P-C4' energy: -179.047
flat angles P-C4'-P energy: -123.038
tors. eta vs tors. theta energy: -245.266
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: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2668.416288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.416288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.713668 (E_RNA)
where:
Base-Base interactions energy: -1853.323
where: short stacking energy: -783.197
Base-Backbone interact. energy: -4.669
local terms energy: -811.721019
where:
bonds (distance) C4'-P energy: -132.405
bonds (distance) P-C4' energy: -157.443
flat angles C4'-P-C4' energy: -177.029
flat angles P-C4'-P energy: -115.957
tors. eta vs tors. theta energy: -228.887
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: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2469.945537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.945537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.626792 (E_RNA)
where:
Base-Base interactions energy: -1692.078
where: short stacking energy: -720.731
Base-Backbone interact. energy: -0.105
local terms energy: -780.443766
where:
bonds (distance) C4'-P energy: -146.719
bonds (distance) P-C4' energy: -138.464
flat angles C4'-P-C4' energy: -167.798
flat angles P-C4'-P energy: -118.129
tors. eta vs tors. theta energy: -209.334
Dist. restrs. and SS energy: 2.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2448.617537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.617537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.209933 (E_RNA)
where:
Base-Base interactions energy: -1679.989
where: short stacking energy: -694.589
Base-Backbone interact. energy: -1.009
local terms energy: -769.212276
where:
bonds (distance) C4'-P energy: -149.675
bonds (distance) P-C4' energy: -144.171
flat angles C4'-P-C4' energy: -174.014
flat angles P-C4'-P energy: -104.110
tors. eta vs tors. theta energy: -197.242
Dist. restrs. and SS energy: 1.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2125.695297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.695297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.448808 (E_RNA)
where:
Base-Base interactions energy: -1410.025
where: short stacking energy: -623.116
Base-Backbone interact. energy: -3.771
local terms energy: -713.652515
where:
bonds (distance) C4'-P energy: -147.398
bonds (distance) P-C4' energy: -136.788
flat angles C4'-P-C4' energy: -151.436
flat angles P-C4'-P energy: -108.981
tors. eta vs tors. theta energy: -169.050
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: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2145.400334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.400334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.171961 (E_RNA)
where:
Base-Base interactions energy: -1420.101
where: short stacking energy: -622.748
Base-Backbone interact. energy: -2.581
local terms energy: -725.490293
where:
bonds (distance) C4'-P energy: -144.411
bonds (distance) P-C4' energy: -147.895
flat angles C4'-P-C4' energy: -164.625
flat angles P-C4'-P energy: -108.768
tors. eta vs tors. theta energy: -159.790
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -2014.489498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.489498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.412224 (E_RNA)
where:
Base-Base interactions energy: -1327.776
where: short stacking energy: -559.087
Base-Backbone interact. energy: -3.237
local terms energy: -686.398989
where:
bonds (distance) C4'-P energy: -140.098
bonds (distance) P-C4' energy: -129.974
flat angles C4'-P-C4' energy: -145.184
flat angles P-C4'-P energy: -125.327
tors. eta vs tors. theta energy: -145.816
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: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1953.321333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.321333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.686691 (E_RNA)
where:
Base-Base interactions energy: -1359.683
where: short stacking energy: -570.860
Base-Backbone interact. energy: -3.497
local terms energy: -592.506772
where:
bonds (distance) C4'-P energy: -132.499
bonds (distance) P-C4' energy: -127.114
flat angles C4'-P-C4' energy: -126.018
flat angles P-C4'-P energy: -60.077
tors. eta vs tors. theta energy: -146.799
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: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1887.685357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.685357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.123933 (E_RNA)
where:
Base-Base interactions energy: -1291.875
where: short stacking energy: -535.204
Base-Backbone interact. energy: -3.021
local terms energy: -596.228095
where:
bonds (distance) C4'-P energy: -135.081
bonds (distance) P-C4' energy: -143.471
flat angles C4'-P-C4' energy: -129.358
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -144.300
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2846.967293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.967293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.525318 (E_RNA)
where:
Base-Base interactions energy: -1962.385
where: short stacking energy: -835.173
Base-Backbone interact. energy: 0.144
local terms energy: -887.283931
where:
bonds (distance) C4'-P energy: -151.059
bonds (distance) P-C4' energy: -167.235
flat angles C4'-P-C4' energy: -200.796
flat angles P-C4'-P energy: -127.333
tors. eta vs tors. theta energy: -240.862
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: 292
Temperature: 0.950000
Total energy: -2785.695363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.695363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.344476 (E_RNA)
where:
Base-Base interactions energy: -1925.864
where: short stacking energy: -804.447
Base-Backbone interact. energy: 1.020
local terms energy: -863.499796
where:
bonds (distance) C4'-P energy: -158.324
bonds (distance) P-C4' energy: -156.165
flat angles C4'-P-C4' energy: -183.725
flat angles P-C4'-P energy: -119.746
tors. eta vs tors. theta energy: -245.539
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: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2659.954774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.954774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.703325 (E_RNA)
where:
Base-Base interactions energy: -1853.521
where: short stacking energy: -789.688
Base-Backbone interact. energy: -0.405
local terms energy: -807.777609
where:
bonds (distance) C4'-P energy: -150.304
bonds (distance) P-C4' energy: -158.186
flat angles C4'-P-C4' energy: -177.555
flat angles P-C4'-P energy: -103.350
tors. eta vs tors. theta energy: -218.383
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: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2416.535407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.535407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.772284 (E_RNA)
where:
Base-Base interactions energy: -1667.027
where: short stacking energy: -736.428
Base-Backbone interact. energy: 0.819
local terms energy: -752.564426
where:
bonds (distance) C4'-P energy: -136.831
bonds (distance) P-C4' energy: -135.998
flat angles C4'-P-C4' energy: -165.178
flat angles P-C4'-P energy: -98.462
tors. eta vs tors. theta energy: -216.095
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2381.596129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.596129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.427961 (E_RNA)
where:
Base-Base interactions energy: -1613.077
where: short stacking energy: -716.985
Base-Backbone interact. energy: -3.095
local terms energy: -767.255886
where:
bonds (distance) C4'-P energy: -134.151
bonds (distance) P-C4' energy: -151.366
flat angles C4'-P-C4' energy: -162.721
flat angles P-C4'-P energy: -111.928
tors. eta vs tors. theta energy: -207.089
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: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2167.948473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.948473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.060911 (E_RNA)
where:
Base-Base interactions energy: -1450.133
where: short stacking energy: -650.574
Base-Backbone interact. energy: -3.658
local terms energy: -716.269476
where:
bonds (distance) C4'-P energy: -150.161
bonds (distance) P-C4' energy: -139.062
flat angles C4'-P-C4' energy: -159.125
flat angles P-C4'-P energy: -95.735
tors. eta vs tors. theta energy: -172.186
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2117.402659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.402659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.866385 (E_RNA)
where:
Base-Base interactions energy: -1437.586
where: short stacking energy: -579.506
Base-Backbone interact. energy: 6.886
local terms energy: -688.166402
where:
bonds (distance) C4'-P energy: -129.432
bonds (distance) P-C4' energy: -140.642
flat angles C4'-P-C4' energy: -172.860
flat angles P-C4'-P energy: -99.999
tors. eta vs tors. theta energy: -145.233
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: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2061.933659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.933659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.867422 (E_RNA)
where:
Base-Base interactions energy: -1401.799
where: short stacking energy: -584.038
Base-Backbone interact. energy: 0.091
local terms energy: -663.158705
where:
bonds (distance) C4'-P energy: -139.481
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -140.163
flat angles P-C4'-P energy: -98.181
tors. eta vs tors. theta energy: -159.830
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: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1971.923691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.923691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.937370 (E_RNA)
where:
Base-Base interactions energy: -1327.074
where: short stacking energy: -567.577
Base-Backbone interact. energy: 4.906
local terms energy: -653.770137
where:
bonds (distance) C4'-P energy: -132.617
bonds (distance) P-C4' energy: -129.704
flat angles C4'-P-C4' energy: -161.340
flat angles P-C4'-P energy: -86.288
tors. eta vs tors. theta energy: -143.821
Dist. restrs. and SS energy: 4.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1824.349434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.349434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.618223 (E_RNA)
where:
Base-Base interactions energy: -1244.202
where: short stacking energy: -521.999
Base-Backbone interact. energy: -0.811
local terms energy: -584.606135
where:
bonds (distance) C4'-P energy: -130.818
bonds (distance) P-C4' energy: -133.611
flat angles C4'-P-C4' energy: -118.533
flat angles P-C4'-P energy: -79.710
tors. eta vs tors. theta energy: -121.934
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: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2858.051054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.051054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.866353 (E_RNA)
where:
Base-Base interactions energy: -1997.440
where: short stacking energy: -848.277
Base-Backbone interact. energy: -4.516
local terms energy: -857.910229
where:
bonds (distance) C4'-P energy: -144.620
bonds (distance) P-C4' energy: -171.517
flat angles C4'-P-C4' energy: -173.560
flat angles P-C4'-P energy: -126.997
tors. eta vs tors. theta energy: -241.216
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: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2780.169676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.169676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.661164 (E_RNA)
where:
Base-Base interactions energy: -1937.983
where: short stacking energy: -816.521
Base-Backbone interact. energy: 3.529
local terms energy: -848.207316
where:
bonds (distance) C4'-P energy: -153.377
bonds (distance) P-C4' energy: -154.378
flat angles C4'-P-C4' energy: -176.900
flat angles P-C4'-P energy: -117.044
tors. eta vs tors. theta energy: -246.508
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: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2678.735669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.735669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.327377 (E_RNA)
where:
Base-Base interactions energy: -1888.597
where: short stacking energy: -779.913
Base-Backbone interact. energy: -1.395
local terms energy: -791.334803
where:
bonds (distance) C4'-P energy: -152.740
bonds (distance) P-C4' energy: -151.325
flat angles C4'-P-C4' energy: -168.545
flat angles P-C4'-P energy: -107.121
tors. eta vs tors. theta energy: -211.603
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: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2456.790673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.790673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.092040 (E_RNA)
where:
Base-Base interactions energy: -1660.248
where: short stacking energy: -722.822
Base-Backbone interact. energy: -2.445
local terms energy: -795.399281
where:
bonds (distance) C4'-P energy: -136.990
bonds (distance) P-C4' energy: -161.945
flat angles C4'-P-C4' energy: -170.178
flat angles P-C4'-P energy: -109.647
tors. eta vs tors. theta energy: -216.640
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2338.808263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.808263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.731808 (E_RNA)
where:
Base-Base interactions energy: -1552.663
where: short stacking energy: -657.246
Base-Backbone interact. energy: -2.268
local terms energy: -786.800772
where:
bonds (distance) C4'-P energy: -151.252
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -172.873
flat angles P-C4'-P energy: -124.473
tors. eta vs tors. theta energy: -195.594
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: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2203.707799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.707799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.850754 (E_RNA)
where:
Base-Base interactions energy: -1493.293
where: short stacking energy: -645.305
Base-Backbone interact. energy: 1.099
local terms energy: -713.657183
where:
bonds (distance) C4'-P energy: -134.728
bonds (distance) P-C4' energy: -146.972
flat angles C4'-P-C4' energy: -151.532
flat angles P-C4'-P energy: -101.021
tors. eta vs tors. theta energy: -179.403
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2066.701429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.701429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.947266 (E_RNA)
where:
Base-Base interactions energy: -1368.732
where: short stacking energy: -585.835
Base-Backbone interact. energy: -3.526
local terms energy: -698.689530
where:
bonds (distance) C4'-P energy: -155.963
bonds (distance) P-C4' energy: -144.057
flat angles C4'-P-C4' energy: -150.546
flat angles P-C4'-P energy: -100.509
tors. eta vs tors. theta energy: -147.615
Dist. restrs. and SS energy: 4.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2022.017967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.017967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.035942 (E_RNA)
where:
Base-Base interactions energy: -1379.375
where: short stacking energy: -575.974
Base-Backbone interact. energy: 1.091
local terms energy: -645.751967
where:
bonds (distance) C4'-P energy: -133.362
bonds (distance) P-C4' energy: -118.341
flat angles C4'-P-C4' energy: -137.984
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -155.093
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1937.601423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.601423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.148589 (E_RNA)
where:
Base-Base interactions energy: -1337.058
where: short stacking energy: -537.539
Base-Backbone interact. energy: -4.531
local terms energy: -598.559625
where:
bonds (distance) C4'-P energy: -131.789
bonds (distance) P-C4' energy: -108.057
flat angles C4'-P-C4' energy: -136.700
flat angles P-C4'-P energy: -92.659
tors. eta vs tors. theta energy: -129.355
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1860.338684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.338684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.197424 (E_RNA)
where:
Base-Base interactions energy: -1266.980
where: short stacking energy: -517.923
Base-Backbone interact. energy: 0.274
local terms energy: -597.490981
where:
bonds (distance) C4'-P energy: -135.614
bonds (distance) P-C4' energy: -132.364
flat angles C4'-P-C4' energy: -124.454
flat angles P-C4'-P energy: -71.771
tors. eta vs tors. theta energy: -133.287
Dist. restrs. and SS energy: 3.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2872.768291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.768291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.429948 (E_RNA)
where:
Base-Base interactions energy: -1984.709
where: short stacking energy: -854.953
Base-Backbone interact. energy: 1.499
local terms energy: -891.219611
where:
bonds (distance) C4'-P energy: -156.161
bonds (distance) P-C4' energy: -170.067
flat angles C4'-P-C4' energy: -188.549
flat angles P-C4'-P energy: -132.479
tors. eta vs tors. theta energy: -243.964
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: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2782.966156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.966156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.306413 (E_RNA)
where:
Base-Base interactions energy: -1934.100
where: short stacking energy: -813.708
Base-Backbone interact. energy: -0.975
local terms energy: -850.231768
where:
bonds (distance) C4'-P energy: -165.474
bonds (distance) P-C4' energy: -144.625
flat angles C4'-P-C4' energy: -177.410
flat angles P-C4'-P energy: -113.746
tors. eta vs tors. theta energy: -248.978
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2704.453444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.453444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.530608 (E_RNA)
where:
Base-Base interactions energy: -1908.860
where: short stacking energy: -799.026
Base-Backbone interact. energy: -0.195
local terms energy: -796.475133
where:
bonds (distance) C4'-P energy: -149.202
bonds (distance) P-C4' energy: -148.402
flat angles C4'-P-C4' energy: -168.452
flat angles P-C4'-P energy: -105.343
tors. eta vs tors. theta energy: -225.076
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2474.054176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.054176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.851369 (E_RNA)
where:
Base-Base interactions energy: -1696.999
where: short stacking energy: -716.590
Base-Backbone interact. energy: -2.661
local terms energy: -776.191156
where:
bonds (distance) C4'-P energy: -145.080
bonds (distance) P-C4' energy: -155.450
flat angles C4'-P-C4' energy: -156.213
flat angles P-C4'-P energy: -105.407
tors. eta vs tors. theta energy: -214.041
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: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2362.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.789590 (E_RNA)
where:
Base-Base interactions energy: -1609.751
where: short stacking energy: -704.025
Base-Backbone interact. energy: -2.818
local terms energy: -751.221003
where:
bonds (distance) C4'-P energy: -134.247
bonds (distance) P-C4' energy: -163.530
flat angles C4'-P-C4' energy: -172.102
flat angles P-C4'-P energy: -83.657
tors. eta vs tors. theta energy: -197.684
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2168.530279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.530279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.861600 (E_RNA)
where:
Base-Base interactions energy: -1432.681
where: short stacking energy: -609.137
Base-Backbone interact. energy: -4.420
local terms energy: -733.759852
where:
bonds (distance) C4'-P energy: -129.072
bonds (distance) P-C4' energy: -147.121
flat angles C4'-P-C4' energy: -163.368
flat angles P-C4'-P energy: -115.456
tors. eta vs tors. theta energy: -178.743
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: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2094.182731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.182731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.596724 (E_RNA)
where:
Base-Base interactions energy: -1370.433
where: short stacking energy: -594.430
Base-Backbone interact. energy: -2.275
local terms energy: -724.889161
where:
bonds (distance) C4'-P energy: -136.321
bonds (distance) P-C4' energy: -143.958
flat angles C4'-P-C4' energy: -164.978
flat angles P-C4'-P energy: -99.467
tors. eta vs tors. theta energy: -180.166
Dist. restrs. and SS energy: 3.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2005.532901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.532901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.364284 (E_RNA)
where:
Base-Base interactions energy: -1362.792
where: short stacking energy: -571.447
Base-Backbone interact. energy: -0.464
local terms energy: -644.108433
where:
bonds (distance) C4'-P energy: -138.493
bonds (distance) P-C4' energy: -126.153
flat angles C4'-P-C4' energy: -136.584
flat angles P-C4'-P energy: -87.941
tors. eta vs tors. theta energy: -154.938
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1984.342261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.342261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.779023 (E_RNA)
where:
Base-Base interactions energy: -1352.961
where: short stacking energy: -571.622
Base-Backbone interact. energy: 2.254
local terms energy: -636.072250
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -125.370
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -97.474
tors. eta vs tors. theta energy: -149.941
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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1853.808717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.808717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.955221 (E_RNA)
where:
Base-Base interactions energy: -1244.929
where: short stacking energy: -512.662
Base-Backbone interact. energy: 0.754
local terms energy: -612.779636
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -125.943
flat angles C4'-P-C4' energy: -140.200
flat angles P-C4'-P energy: -100.372
tors. eta vs tors. theta energy: -118.015
Dist. restrs. and SS energy: 3.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2826.560742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.560742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.735455 (E_RNA)
where:
Base-Base interactions energy: -1941.110
where: short stacking energy: -817.849
Base-Backbone interact. energy: -4.361
local terms energy: -882.263985
where:
bonds (distance) C4'-P energy: -165.955
bonds (distance) P-C4' energy: -172.576
flat angles C4'-P-C4' energy: -172.451
flat angles P-C4'-P energy: -131.173
tors. eta vs tors. theta energy: -240.110
Dist. restrs. and SS energy: 1.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2798.506023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.506023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.112586 (E_RNA)
where:
Base-Base interactions energy: -1910.793
where: short stacking energy: -787.359
Base-Backbone interact. energy: -1.411
local terms energy: -888.908363
where:
bonds (distance) C4'-P energy: -167.588
bonds (distance) P-C4' energy: -169.297
flat angles C4'-P-C4' energy: -194.235
flat angles P-C4'-P energy: -120.868
tors. eta vs tors. theta energy: -236.921
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2699.387980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.387980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.318243 (E_RNA)
where:
Base-Base interactions energy: -1851.697
where: short stacking energy: -772.683
Base-Backbone interact. energy: -2.920
local terms energy: -845.700696
where:
bonds (distance) C4'-P energy: -169.431
bonds (distance) P-C4' energy: -155.356
flat angles C4'-P-C4' energy: -161.169
flat angles P-C4'-P energy: -127.375
tors. eta vs tors. theta energy: -232.370
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: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2463.699438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.699438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.913103 (E_RNA)
where:
Base-Base interactions energy: -1677.099
where: short stacking energy: -686.968
Base-Backbone interact. energy: 1.718
local terms energy: -789.532288
where:
bonds (distance) C4'-P energy: -132.941
bonds (distance) P-C4' energy: -168.388
flat angles C4'-P-C4' energy: -151.339
flat angles P-C4'-P energy: -124.788
tors. eta vs tors. theta energy: -212.076
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2412.260352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.260352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.872390 (E_RNA)
where:
Base-Base interactions energy: -1617.430
where: short stacking energy: -716.881
Base-Backbone interact. energy: 0.339
local terms energy: -796.780960
where:
bonds (distance) C4'-P energy: -134.968
bonds (distance) P-C4' energy: -153.489
flat angles C4'-P-C4' energy: -181.719
flat angles P-C4'-P energy: -124.804
tors. eta vs tors. theta energy: -201.801
Dist. restrs. and SS energy: 1.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2196.398904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.398904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.660191 (E_RNA)
where:
Base-Base interactions energy: -1436.694
where: short stacking energy: -619.383
Base-Backbone interact. energy: 2.135
local terms energy: -763.100668
where:
bonds (distance) C4'-P energy: -155.308
bonds (distance) P-C4' energy: -154.241
flat angles C4'-P-C4' energy: -165.677
flat angles P-C4'-P energy: -108.220
tors. eta vs tors. theta energy: -179.654
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: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2136.847891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.847891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.607272 (E_RNA)
where:
Base-Base interactions energy: -1464.466
where: short stacking energy: -655.905
Base-Backbone interact. energy: -0.462
local terms energy: -673.678994
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -141.323
flat angles C4'-P-C4' energy: -149.963
flat angles P-C4'-P energy: -98.951
tors. eta vs tors. theta energy: -168.670
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1995.581235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.581235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.283922 (E_RNA)
where:
Base-Base interactions energy: -1371.556
where: short stacking energy: -595.929
Base-Backbone interact. energy: -4.266
local terms energy: -622.461318
where:
bonds (distance) C4'-P energy: -102.353
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -146.005
flat angles P-C4'-P energy: -103.607
tors. eta vs tors. theta energy: -153.633
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1921.474555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.474555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.848263 (E_RNA)
where:
Base-Base interactions energy: -1298.509
where: short stacking energy: -563.825
Base-Backbone interact. energy: -0.751
local terms energy: -630.588566
where:
bonds (distance) C4'-P energy: -130.229
bonds (distance) P-C4' energy: -118.437
flat angles C4'-P-C4' energy: -137.789
flat angles P-C4'-P energy: -103.630
tors. eta vs tors. theta energy: -140.503
Dist. restrs. and SS energy: 8.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1826.787791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.787791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.060184 (E_RNA)
where:
Base-Base interactions energy: -1279.724
where: short stacking energy: -528.531
Base-Backbone interact. energy: 6.912
local terms energy: -557.247894
where:
bonds (distance) C4'-P energy: -107.542
bonds (distance) P-C4' energy: -126.606
flat angles C4'-P-C4' energy: -131.971
flat angles P-C4'-P energy: -73.530
tors. eta vs tors. theta energy: -117.599
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2823.672868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.672868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.811863 (E_RNA)
where:
Base-Base interactions energy: -1947.185
where: short stacking energy: -834.973
Base-Backbone interact. energy: -7.632
local terms energy: -870.995254
where:
bonds (distance) C4'-P energy: -157.579
bonds (distance) P-C4' energy: -164.220
flat angles C4'-P-C4' energy: -188.874
flat angles P-C4'-P energy: -119.338
tors. eta vs tors. theta energy: -240.985
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2775.200082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.200082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.588895 (E_RNA)
where:
Base-Base interactions energy: -1914.127
where: short stacking energy: -801.719
Base-Backbone interact. energy: -2.648
local terms energy: -861.812963
where:
bonds (distance) C4'-P energy: -159.593
bonds (distance) P-C4' energy: -163.715
flat angles C4'-P-C4' energy: -186.597
flat angles P-C4'-P energy: -120.771
tors. eta vs tors. theta energy: -231.137
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: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2693.783620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.783620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.774020 (E_RNA)
where:
Base-Base interactions energy: -1880.816
where: short stacking energy: -785.838
Base-Backbone interact. energy: 2.824
local terms energy: -817.782918
where:
bonds (distance) C4'-P energy: -141.362
bonds (distance) P-C4' energy: -150.172
flat angles C4'-P-C4' energy: -174.270
flat angles P-C4'-P energy: -104.547
tors. eta vs tors. theta energy: -247.432
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: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2505.061628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.061628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.605784 (E_RNA)
where:
Base-Base interactions energy: -1728.756
where: short stacking energy: -742.886
Base-Backbone interact. energy: -2.420
local terms energy: -775.429632
where:
bonds (distance) C4'-P energy: -138.604
bonds (distance) P-C4' energy: -146.504
flat angles C4'-P-C4' energy: -176.470
flat angles P-C4'-P energy: -100.365
tors. eta vs tors. theta energy: -213.487
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: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2337.069697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.069697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.523424 (E_RNA)
where:
Base-Base interactions energy: -1567.419
where: short stacking energy: -698.214
Base-Backbone interact. energy: -4.126
local terms energy: -766.978248
where:
bonds (distance) C4'-P energy: -142.002
bonds (distance) P-C4' energy: -140.653
flat angles C4'-P-C4' energy: -173.327
flat angles P-C4'-P energy: -108.531
tors. eta vs tors. theta energy: -202.466
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2178.438071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.438071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.113025 (E_RNA)
where:
Base-Base interactions energy: -1447.425
where: short stacking energy: -624.638
Base-Backbone interact. energy: -3.312
local terms energy: -729.375404
where:
bonds (distance) C4'-P energy: -133.447
bonds (distance) P-C4' energy: -143.806
flat angles C4'-P-C4' energy: -175.007
flat angles P-C4'-P energy: -104.021
tors. eta vs tors. theta energy: -173.094
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: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2087.028806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.028806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.061118 (E_RNA)
where:
Base-Base interactions energy: -1428.221
where: short stacking energy: -607.695
Base-Backbone interact. energy: 0.046
local terms energy: -661.886323
where:
bonds (distance) C4'-P energy: -124.342
bonds (distance) P-C4' energy: -135.034
flat angles C4'-P-C4' energy: -146.244
flat angles P-C4'-P energy: -94.734
tors. eta vs tors. theta energy: -161.531
Dist. restrs. and SS energy: 3.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1981.568228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.568228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.803077 (E_RNA)
where:
Base-Base interactions energy: -1353.572
where: short stacking energy: -570.099
Base-Backbone interact. energy: 4.379
local terms energy: -634.610059
where:
bonds (distance) C4'-P energy: -141.048
bonds (distance) P-C4' energy: -128.957
flat angles C4'-P-C4' energy: -133.752
flat angles P-C4'-P energy: -88.996
tors. eta vs tors. theta energy: -141.857
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1969.077180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.077180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.421130 (E_RNA)
where:
Base-Base interactions energy: -1347.550
where: short stacking energy: -561.685
Base-Backbone interact. energy: 0.826
local terms energy: -626.696521
where:
bonds (distance) C4'-P energy: -113.246
bonds (distance) P-C4' energy: -134.821
flat angles C4'-P-C4' energy: -153.612
flat angles P-C4'-P energy: -88.964
tors. eta vs tors. theta energy: -136.054
Dist. restrs. and SS energy: 4.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1828.188677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.188677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.878983 (E_RNA)
where:
Base-Base interactions energy: -1249.649
where: short stacking energy: -501.736
Base-Backbone interact. energy: -0.405
local terms energy: -581.825142
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -149.018
flat angles P-C4'-P energy: -83.377
tors. eta vs tors. theta energy: -117.708
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2851.205027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.205027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.020373 (E_RNA)
where:
Base-Base interactions energy: -1953.766
where: short stacking energy: -827.264
Base-Backbone interact. energy: -6.052
local terms energy: -893.202794
where:
bonds (distance) C4'-P energy: -154.350
bonds (distance) P-C4' energy: -175.930
flat angles C4'-P-C4' energy: -190.743
flat angles P-C4'-P energy: -128.939
tors. eta vs tors. theta energy: -243.241
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: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2797.172833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.172833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.272755 (E_RNA)
where:
Base-Base interactions energy: -1934.272
where: short stacking energy: -807.838
Base-Backbone interact. energy: -0.537
local terms energy: -864.463636
where:
bonds (distance) C4'-P energy: -165.136
bonds (distance) P-C4' energy: -161.735
flat angles C4'-P-C4' energy: -178.837
flat angles P-C4'-P energy: -126.459
tors. eta vs tors. theta energy: -232.296
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: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2756.825166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.825166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.497628 (E_RNA)
where:
Base-Base interactions energy: -1911.864
where: short stacking energy: -792.252
Base-Backbone interact. energy: 2.481
local terms energy: -849.114135
where:
bonds (distance) C4'-P energy: -154.327
bonds (distance) P-C4' energy: -155.631
flat angles C4'-P-C4' energy: -180.984
flat angles P-C4'-P energy: -115.085
tors. eta vs tors. theta energy: -243.087
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: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2504.770415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.150507 (E_RNA)
where:
Base-Base interactions energy: -1706.081
where: short stacking energy: -733.412
Base-Backbone interact. energy: -0.253
local terms energy: -800.817342
where:
bonds (distance) C4'-P energy: -134.907
bonds (distance) P-C4' energy: -153.557
flat angles C4'-P-C4' energy: -183.022
flat angles P-C4'-P energy: -121.078
tors. eta vs tors. theta energy: -208.254
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2355.535182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.535182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.862112 (E_RNA)
where:
Base-Base interactions energy: -1603.071
where: short stacking energy: -689.285
Base-Backbone interact. energy: -2.917
local terms energy: -751.874062
where:
bonds (distance) C4'-P energy: -142.994
bonds (distance) P-C4' energy: -142.738
flat angles C4'-P-C4' energy: -161.656
flat angles P-C4'-P energy: -108.420
tors. eta vs tors. theta energy: -196.066
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2212.941026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.941026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.174429 (E_RNA)
where:
Base-Base interactions energy: -1476.343
where: short stacking energy: -664.811
Base-Backbone interact. energy: -1.050
local terms energy: -737.781975
where:
bonds (distance) C4'-P energy: -141.390
bonds (distance) P-C4' energy: -141.247
flat angles C4'-P-C4' energy: -172.281
flat angles P-C4'-P energy: -104.144
tors. eta vs tors. theta energy: -178.720
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2081.429570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.429570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.016092 (E_RNA)
where:
Base-Base interactions energy: -1415.179
where: short stacking energy: -617.777
Base-Backbone interact. energy: -0.514
local terms energy: -668.323416
where:
bonds (distance) C4'-P energy: -123.038
bonds (distance) P-C4' energy: -130.176
flat angles C4'-P-C4' energy: -144.511
flat angles P-C4'-P energy: -106.198
tors. eta vs tors. theta energy: -164.401
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: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2074.047635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.047635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.868612 (E_RNA)
where:
Base-Base interactions energy: -1396.414
where: short stacking energy: -593.856
Base-Backbone interact. energy: -1.018
local terms energy: -678.436412
where:
bonds (distance) C4'-P energy: -136.091
bonds (distance) P-C4' energy: -144.244
flat angles C4'-P-C4' energy: -152.519
flat angles P-C4'-P energy: -95.176
tors. eta vs tors. theta energy: -150.407
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1926.423336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.423336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.672061 (E_RNA)
where:
Base-Base interactions energy: -1269.787
where: short stacking energy: -525.265
Base-Backbone interact. energy: 3.589
local terms energy: -664.475025
where:
bonds (distance) C4'-P energy: -140.142
bonds (distance) P-C4' energy: -155.869
flat angles C4'-P-C4' energy: -144.296
flat angles P-C4'-P energy: -89.448
tors. eta vs tors. theta energy: -134.720
Dist. restrs. and SS energy: 4.249 (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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1817.464508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.464508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.718634 (E_RNA)
where:
Base-Base interactions energy: -1235.979
where: short stacking energy: -507.602
Base-Backbone interact. energy: 0.348
local terms energy: -586.086830
where:
bonds (distance) C4'-P energy: -123.445
bonds (distance) P-C4' energy: -128.502
flat angles C4'-P-C4' energy: -131.263
flat angles P-C4'-P energy: -81.066
tors. eta vs tors. theta energy: -121.810
Dist. restrs. and SS energy: 4.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2856.544340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.544340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.906016 (E_RNA)
where:
Base-Base interactions energy: -1981.207
where: short stacking energy: -832.718
Base-Backbone interact. energy: -4.698
local terms energy: -872.000749
where:
bonds (distance) C4'-P energy: -159.589
bonds (distance) P-C4' energy: -158.650
flat angles C4'-P-C4' energy: -186.670
flat angles P-C4'-P energy: -119.975
tors. eta vs tors. theta energy: -247.116
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: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2806.368223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.120980 (E_RNA)
where:
Base-Base interactions energy: -1950.648
where: short stacking energy: -810.154
Base-Backbone interact. energy: -0.345
local terms energy: -858.128219
where:
bonds (distance) C4'-P energy: -150.565
bonds (distance) P-C4' energy: -178.401
flat angles C4'-P-C4' energy: -186.956
flat angles P-C4'-P energy: -111.507
tors. eta vs tors. theta energy: -230.700
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2676.771901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.771901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.312896 (E_RNA)
where:
Base-Base interactions energy: -1833.127
where: short stacking energy: -780.680
Base-Backbone interact. energy: -3.258
local terms energy: -841.928023
where:
bonds (distance) C4'-P energy: -144.203
bonds (distance) P-C4' energy: -157.067
flat angles C4'-P-C4' energy: -178.722
flat angles P-C4'-P energy: -125.390
tors. eta vs tors. theta energy: -236.545
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2496.651586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.651586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.005672 (E_RNA)
where:
Base-Base interactions energy: -1696.245
where: short stacking energy: -719.140
Base-Backbone interact. energy: -2.655
local terms energy: -800.105951
where:
bonds (distance) C4'-P energy: -137.090
bonds (distance) P-C4' energy: -161.918
flat angles C4'-P-C4' energy: -177.670
flat angles P-C4'-P energy: -117.603
tors. eta vs tors. theta energy: -205.824
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: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2357.299916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.299916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.942427 (E_RNA)
where:
Base-Base interactions energy: -1609.166
where: short stacking energy: -689.246
Base-Backbone interact. energy: 4.880
local terms energy: -755.656011
where:
bonds (distance) C4'-P energy: -140.015
bonds (distance) P-C4' energy: -154.427
flat angles C4'-P-C4' energy: -157.315
flat angles P-C4'-P energy: -102.789
tors. eta vs tors. theta energy: -201.111
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2196.071714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.071714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.163314 (E_RNA)
where:
Base-Base interactions energy: -1507.894
where: short stacking energy: -650.609
Base-Backbone interact. energy: 1.841
local terms energy: -692.110110
where:
bonds (distance) C4'-P energy: -136.174
bonds (distance) P-C4' energy: -150.500
flat angles C4'-P-C4' energy: -165.217
flat angles P-C4'-P energy: -68.897
tors. eta vs tors. theta energy: -171.322
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: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2071.347494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.347494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.398351 (E_RNA)
where:
Base-Base interactions energy: -1380.683
where: short stacking energy: -569.243
Base-Backbone interact. energy: -0.706
local terms energy: -694.008960
where:
bonds (distance) C4'-P energy: -136.783
bonds (distance) P-C4' energy: -153.749
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -97.776
tors. eta vs tors. theta energy: -157.454
Dist. restrs. and SS energy: 4.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2101.916988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.916988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.510767 (E_RNA)
where:
Base-Base interactions energy: -1402.602
where: short stacking energy: -580.135
Base-Backbone interact. energy: -4.910
local terms energy: -696.998655
where:
bonds (distance) C4'-P energy: -134.082
bonds (distance) P-C4' energy: -151.160
flat angles C4'-P-C4' energy: -152.692
flat angles P-C4'-P energy: -103.831
tors. eta vs tors. theta energy: -155.234
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: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1934.929954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.929954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.367580 (E_RNA)
where:
Base-Base interactions energy: -1318.502
where: short stacking energy: -568.006
Base-Backbone interact. energy: -0.505
local terms energy: -618.360700
where:
bonds (distance) C4'-P energy: -127.286
bonds (distance) P-C4' energy: -130.844
flat angles C4'-P-C4' energy: -129.314
flat angles P-C4'-P energy: -93.320
tors. eta vs tors. theta energy: -137.597
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: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1887.656761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.656761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.042216 (E_RNA)
where:
Base-Base interactions energy: -1317.348
where: short stacking energy: -544.734
Base-Backbone interact. energy: -5.013
local terms energy: -568.681544
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -134.134
flat angles C4'-P-C4' energy: -143.242
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -115.871
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: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2855.470623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.470623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.783158 (E_RNA)
where:
Base-Base interactions energy: -1956.704
where: short stacking energy: -823.553
Base-Backbone interact. energy: -7.960
local terms energy: -892.119448
where:
bonds (distance) C4'-P energy: -159.738
bonds (distance) P-C4' energy: -178.526
flat angles C4'-P-C4' energy: -176.496
flat angles P-C4'-P energy: -133.252
tors. eta vs tors. theta energy: -244.107
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: 299
Temperature: 0.950000
Total energy: -2792.913125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.913125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.226345 (E_RNA)
where:
Base-Base interactions energy: -1919.405
where: short stacking energy: -805.967
Base-Backbone interact. energy: -1.274
local terms energy: -874.547790
where:
bonds (distance) C4'-P energy: -152.470
bonds (distance) P-C4' energy: -158.595
flat angles C4'-P-C4' energy: -181.031
flat angles P-C4'-P energy: -140.653
tors. eta vs tors. theta energy: -241.799
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2718.341029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.341029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.992331 (E_RNA)
where:
Base-Base interactions energy: -1882.784
where: short stacking energy: -777.753
Base-Backbone interact. energy: -1.089
local terms energy: -837.118977
where:
bonds (distance) C4'-P energy: -158.671
bonds (distance) P-C4' energy: -149.546
flat angles C4'-P-C4' energy: -180.935
flat angles P-C4'-P energy: -121.927
tors. eta vs tors. theta energy: -226.040
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: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2516.589918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.589918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.938334 (E_RNA)
where:
Base-Base interactions energy: -1720.621
where: short stacking energy: -709.623
Base-Backbone interact. energy: -3.578
local terms energy: -793.739700
where:
bonds (distance) C4'-P energy: -145.003
bonds (distance) P-C4' energy: -162.514
flat angles C4'-P-C4' energy: -158.790
flat angles P-C4'-P energy: -106.992
tors. eta vs tors. theta energy: -220.440
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: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2385.498567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.498567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.369145 (E_RNA)
where:
Base-Base interactions energy: -1619.744
where: short stacking energy: -668.365
Base-Backbone interact. energy: -3.661
local terms energy: -763.963598
where:
bonds (distance) C4'-P energy: -125.431
bonds (distance) P-C4' energy: -170.504
flat angles C4'-P-C4' energy: -162.190
flat angles P-C4'-P energy: -116.312
tors. eta vs tors. theta energy: -189.527
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: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2210.005426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.005426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.840570 (E_RNA)
where:
Base-Base interactions energy: -1473.258
where: short stacking energy: -646.942
Base-Backbone interact. energy: 4.239
local terms energy: -742.821474
where:
bonds (distance) C4'-P energy: -141.411
bonds (distance) P-C4' energy: -145.496
flat angles C4'-P-C4' energy: -169.168
flat angles P-C4'-P energy: -93.796
tors. eta vs tors. theta energy: -192.951
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: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2063.023075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.023075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.364337 (E_RNA)
where:
Base-Base interactions energy: -1365.156
where: short stacking energy: -602.077
Base-Backbone interact. energy: -2.883
local terms energy: -698.325197
where:
bonds (distance) C4'-P energy: -124.164
bonds (distance) P-C4' energy: -150.259
flat angles C4'-P-C4' energy: -152.303
flat angles P-C4'-P energy: -101.290
tors. eta vs tors. theta energy: -170.309
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2055.960944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.960944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.232443 (E_RNA)
where:
Base-Base interactions energy: -1420.406
where: short stacking energy: -602.848
Base-Backbone interact. energy: 0.024
local terms energy: -637.850232
where:
bonds (distance) C4'-P energy: -117.480
bonds (distance) P-C4' energy: -135.197
flat angles C4'-P-C4' energy: -148.118
flat angles P-C4'-P energy: -78.490
tors. eta vs tors. theta energy: -158.564
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: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1950.732031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.732031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.738504 (E_RNA)
where:
Base-Base interactions energy: -1300.158
where: short stacking energy: -536.826
Base-Backbone interact. energy: -1.663
local terms energy: -655.917532
where:
bonds (distance) C4'-P energy: -124.683
bonds (distance) P-C4' energy: -148.975
flat angles C4'-P-C4' energy: -147.783
flat angles P-C4'-P energy: -93.094
tors. eta vs tors. theta energy: -141.382
Dist. restrs. and SS energy: 7.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1851.540525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.540525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.174466 (E_RNA)
where:
Base-Base interactions energy: -1264.607
where: short stacking energy: -520.567
Base-Backbone interact. energy: 5.502
local terms energy: -597.069351
where:
bonds (distance) C4'-P energy: -129.752
bonds (distance) P-C4' energy: -128.946
flat angles C4'-P-C4' energy: -122.357
flat angles P-C4'-P energy: -85.669
tors. eta vs tors. theta energy: -130.345
Dist. restrs. and SS energy: 4.634 (S_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: 300
Temperature: 0.900000
Total energy: -2854.762088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.762088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.854752 (E_RNA)
where:
Base-Base interactions energy: -1978.238
where: short stacking energy: -826.930
Base-Backbone interact. energy: -5.563
local terms energy: -872.054080
where:
bonds (distance) C4'-P energy: -146.639
bonds (distance) P-C4' energy: -171.306
flat angles C4'-P-C4' energy: -188.946
flat angles P-C4'-P energy: -113.399
tors. eta vs tors. theta energy: -251.763
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: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2779.456774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.456774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.281538 (E_RNA)
where:
Base-Base interactions energy: -1928.861
where: short stacking energy: -780.069
Base-Backbone interact. energy: -1.101
local terms energy: -851.319394
where:
bonds (distance) C4'-P energy: -168.208
bonds (distance) P-C4' energy: -136.207
flat angles C4'-P-C4' energy: -183.801
flat angles P-C4'-P energy: -125.747
tors. eta vs tors. theta energy: -237.356
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: 3, replica: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2688.415308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.415308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.580700 (E_RNA)
where:
Base-Base interactions energy: -1875.266
where: short stacking energy: -785.803
Base-Backbone interact. energy: 5.597
local terms energy: -820.912523
where:
bonds (distance) C4'-P energy: -164.950
bonds (distance) P-C4' energy: -155.235
flat angles C4'-P-C4' energy: -179.275
flat angles P-C4'-P energy: -106.309
tors. eta vs tors. theta energy: -215.143
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2487.748084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.748084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.246050 (E_RNA)
where:
Base-Base interactions energy: -1705.379
where: short stacking energy: -727.725
Base-Backbone interact. energy: -3.101
local terms energy: -781.765494
where:
bonds (distance) C4'-P energy: -157.348
bonds (distance) P-C4' energy: -148.418
flat angles C4'-P-C4' energy: -152.081
flat angles P-C4'-P energy: -117.124
tors. eta vs tors. theta energy: -206.794
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: 5, replica: 8
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2375.765246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.765246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.128704 (E_RNA)
where:
Base-Base interactions energy: -1614.169
where: short stacking energy: -679.369
Base-Backbone interact. energy: 0.509
local terms energy: -763.469029
where:
bonds (distance) C4'-P energy: -143.055
bonds (distance) P-C4' energy: -155.363
flat angles C4'-P-C4' energy: -162.393
flat angles P-C4'-P energy: -110.170
tors. eta vs tors. theta energy: -192.488
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2147.102590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.102590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.084566 (E_RNA)
where:
Base-Base interactions energy: -1426.972
where: short stacking energy: -634.909
Base-Backbone interact. energy: 1.292
local terms energy: -723.404700
where:
bonds (distance) C4'-P energy: -144.135
bonds (distance) P-C4' energy: -138.018
flat angles C4'-P-C4' energy: -165.011
flat angles P-C4'-P energy: -95.579
tors. eta vs tors. theta energy: -180.662
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: 300
Temperature: 1.200000
Total energy: -2088.838239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.838239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.350329 (E_RNA)
where:
Base-Base interactions energy: -1407.097
where: short stacking energy: -610.394
Base-Backbone interact. energy: -1.035
local terms energy: -682.218582
where:
bonds (distance) C4'-P energy: -135.272
bonds (distance) P-C4' energy: -133.927
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -93.476
tors. eta vs tors. theta energy: -166.340
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: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2096.247795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.247795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.003870 (E_RNA)
where:
Base-Base interactions energy: -1414.497
where: short stacking energy: -596.643
Base-Backbone interact. energy: -4.172
local terms energy: -680.334366
where:
bonds (distance) C4'-P energy: -136.697
bonds (distance) P-C4' energy: -137.759
flat angles C4'-P-C4' energy: -145.997
flat angles P-C4'-P energy: -95.892
tors. eta vs tors. theta energy: -163.989
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1948.181014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.181014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.128492 (E_RNA)
where:
Base-Base interactions energy: -1306.513
where: short stacking energy: -574.041
Base-Backbone interact. energy: 2.124
local terms energy: -646.738832
where:
bonds (distance) C4'-P energy: -103.659
bonds (distance) P-C4' energy: -139.036
flat angles C4'-P-C4' energy: -151.331
flat angles P-C4'-P energy: -99.699
tors. eta vs tors. theta energy: -153.014
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1852.342204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.342204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.035287 (E_RNA)
where:
Base-Base interactions energy: -1239.259
where: short stacking energy: -499.953
Base-Backbone interact. energy: -1.907
local terms energy: -614.869767
where:
bonds (distance) C4'-P energy: -134.564
bonds (distance) P-C4' energy: -135.215
flat angles C4'-P-C4' energy: -146.212
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -110.084
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: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2851.184849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.184849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.187713 (E_RNA)
where:
Base-Base interactions energy: -1984.088
where: short stacking energy: -845.777
Base-Backbone interact. energy: -2.131
local terms energy: -866.969251
where:
bonds (distance) C4'-P energy: -151.076
bonds (distance) P-C4' energy: -154.411
flat angles C4'-P-C4' energy: -189.365
flat angles P-C4'-P energy: -132.634
tors. eta vs tors. theta energy: -239.483
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2778.307391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.307391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.326701 (E_RNA)
where:
Base-Base interactions energy: -1934.329
where: short stacking energy: -808.846
Base-Backbone interact. energy: -2.376
local terms energy: -843.621614
where:
bonds (distance) C4'-P energy: -149.196
bonds (distance) P-C4' energy: -152.467
flat angles C4'-P-C4' energy: -182.989
flat angles P-C4'-P energy: -112.602
tors. eta vs tors. theta energy: -246.368
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: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2681.138283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.138283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.266950 (E_RNA)
where:
Base-Base interactions energy: -1849.383
where: short stacking energy: -767.707
Base-Backbone interact. energy: -4.488
local terms energy: -829.395043
where:
bonds (distance) C4'-P energy: -165.693
bonds (distance) P-C4' energy: -148.948
flat angles C4'-P-C4' energy: -170.137
flat angles P-C4'-P energy: -117.686
tors. eta vs tors. theta energy: -226.931
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: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2540.997138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.997138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.104038 (E_RNA)
where:
Base-Base interactions energy: -1780.560
where: short stacking energy: -718.246
Base-Backbone interact. energy: 2.185
local terms energy: -763.729682
where:
bonds (distance) C4'-P energy: -132.580
bonds (distance) P-C4' energy: -144.216
flat angles C4'-P-C4' energy: -165.649
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -207.300
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2373.486862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.486862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.150048 (E_RNA)
where:
Base-Base interactions energy: -1627.528
where: short stacking energy: -708.177
Base-Backbone interact. energy: -0.322
local terms energy: -747.300218
where:
bonds (distance) C4'-P energy: -133.239
bonds (distance) P-C4' energy: -126.220
flat angles C4'-P-C4' energy: -169.037
flat angles P-C4'-P energy: -114.636
tors. eta vs tors. theta energy: -204.169
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: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2164.662730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.662730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.901219 (E_RNA)
where:
Base-Base interactions energy: -1452.717
where: short stacking energy: -640.837
Base-Backbone interact. energy: -3.003
local terms energy: -711.181360
where:
bonds (distance) C4'-P energy: -139.908
bonds (distance) P-C4' energy: -135.048
flat angles C4'-P-C4' energy: -164.361
flat angles P-C4'-P energy: -103.868
tors. eta vs tors. theta energy: -167.996
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: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2056.212277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.212277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.564511 (E_RNA)
where:
Base-Base interactions energy: -1397.811
where: short stacking energy: -578.809
Base-Backbone interact. energy: -2.305
local terms energy: -658.448155
where:
bonds (distance) C4'-P energy: -133.606
bonds (distance) P-C4' energy: -120.932
flat angles C4'-P-C4' energy: -160.909
flat angles P-C4'-P energy: -98.846
tors. eta vs tors. theta energy: -144.156
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: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2074.873329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.873329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.049514 (E_RNA)
where:
Base-Base interactions energy: -1435.652
where: short stacking energy: -585.159
Base-Backbone interact. energy: -5.554
local terms energy: -635.843370
where:
bonds (distance) C4'-P energy: -137.085
bonds (distance) P-C4' energy: -115.767
flat angles C4'-P-C4' energy: -134.613
flat angles P-C4'-P energy: -103.018
tors. eta vs tors. theta energy: -145.361
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: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1957.906616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.697419 (E_RNA)
where:
Base-Base interactions energy: -1324.594
where: short stacking energy: -569.090
Base-Backbone interact. energy: 3.236
local terms energy: -639.339381
where:
bonds (distance) C4'-P energy: -137.400
bonds (distance) P-C4' energy: -127.690
flat angles C4'-P-C4' energy: -143.127
flat angles P-C4'-P energy: -89.878
tors. eta vs tors. theta energy: -141.244
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1861.324600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.324600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.001228 (E_RNA)
where:
Base-Base interactions energy: -1285.879
where: short stacking energy: -547.815
Base-Backbone interact. energy: 0.802
local terms energy: -580.924037
where:
bonds (distance) C4'-P energy: -114.020
bonds (distance) P-C4' energy: -104.759
flat angles C4'-P-C4' energy: -134.465
flat angles P-C4'-P energy: -90.784
tors. eta vs tors. theta energy: -136.897
Dist. restrs. and SS energy: 4.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2868.778009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.778009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.111233 (E_RNA)
where:
Base-Base interactions energy: -1992.973
where: short stacking energy: -833.549
Base-Backbone interact. energy: -2.806
local terms energy: -874.331863
where:
bonds (distance) C4'-P energy: -152.127
bonds (distance) P-C4' energy: -164.709
flat angles C4'-P-C4' energy: -177.313
flat angles P-C4'-P energy: -142.191
tors. eta vs tors. theta energy: -237.992
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: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2772.594484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.594484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.198156 (E_RNA)
where:
Base-Base interactions energy: -1905.953
where: short stacking energy: -777.361
Base-Backbone interact. energy: -3.925
local terms energy: -864.320758
where:
bonds (distance) C4'-P energy: -156.668
bonds (distance) P-C4' energy: -165.925
flat angles C4'-P-C4' energy: -177.558
flat angles P-C4'-P energy: -124.176
tors. eta vs tors. theta energy: -239.995
Dist. restrs. and SS energy: 1.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2698.907130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.907130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.080863 (E_RNA)
where:
Base-Base interactions energy: -1892.753
where: short stacking energy: -801.063
Base-Backbone interact. energy: -3.626
local terms energy: -803.702383
where:
bonds (distance) C4'-P energy: -122.662
bonds (distance) P-C4' energy: -156.795
flat angles C4'-P-C4' energy: -175.981
flat angles P-C4'-P energy: -123.366
tors. eta vs tors. theta energy: -224.899
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2524.030490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.030490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.072830 (E_RNA)
where:
Base-Base interactions energy: -1732.323
where: short stacking energy: -714.490
Base-Backbone interact. energy: -1.838
local terms energy: -791.912365
where:
bonds (distance) C4'-P energy: -125.399
bonds (distance) P-C4' energy: -164.556
flat angles C4'-P-C4' energy: -157.597
flat angles P-C4'-P energy: -130.699
tors. eta vs tors. theta energy: -213.661
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: 5, replica: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2369.920085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.920085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.906360 (E_RNA)
where:
Base-Base interactions energy: -1617.681
where: short stacking energy: -715.719
Base-Backbone interact. energy: 2.175
local terms energy: -756.400509
where:
bonds (distance) C4'-P energy: -138.991
bonds (distance) P-C4' energy: -139.081
flat angles C4'-P-C4' energy: -171.765
flat angles P-C4'-P energy: -110.067
tors. eta vs tors. theta energy: -196.497
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2166.899158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.899158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.120663 (E_RNA)
where:
Base-Base interactions energy: -1451.808
where: short stacking energy: -658.479
Base-Backbone interact. energy: -3.679
local terms energy: -713.633886
where:
bonds (distance) C4'-P energy: -140.256
bonds (distance) P-C4' energy: -138.632
flat angles C4'-P-C4' energy: -157.481
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -186.829
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: 7, replica: 5
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2106.879740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.879740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.382026 (E_RNA)
where:
Base-Base interactions energy: -1443.340
where: short stacking energy: -638.195
Base-Backbone interact. energy: -2.305
local terms energy: -663.736785
where:
bonds (distance) C4'-P energy: -121.750
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -141.955
flat angles P-C4'-P energy: -108.026
tors. eta vs tors. theta energy: -163.439
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: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2011.644412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.644412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.431620 (E_RNA)
where:
Base-Base interactions energy: -1367.025
where: short stacking energy: -579.148
Base-Backbone interact. energy: -1.608
local terms energy: -644.798923
where:
bonds (distance) C4'-P energy: -138.134
bonds (distance) P-C4' energy: -134.873
flat angles C4'-P-C4' energy: -146.265
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -145.775
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: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1946.629916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.629916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.199108 (E_RNA)
where:
Base-Base interactions energy: -1318.775
where: short stacking energy: -556.364
Base-Backbone interact. energy: -3.386
local terms energy: -628.038602
where:
bonds (distance) C4'-P energy: -134.095
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -141.901
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -143.951
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1849.598925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.598925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.807164 (E_RNA)
where:
Base-Base interactions energy: -1254.192
where: short stacking energy: -515.758
Base-Backbone interact. energy: -0.447
local terms energy: -598.167710
where:
bonds (distance) C4'-P energy: -116.738
bonds (distance) P-C4' energy: -120.641
flat angles C4'-P-C4' energy: -142.194
flat angles P-C4'-P energy: -92.330
tors. eta vs tors. theta energy: -126.265
Dist. restrs. and SS energy: 3.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2852.571200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.571200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.175831 (E_RNA)
where:
Base-Base interactions energy: -2007.847
where: short stacking energy: -837.065
Base-Backbone interact. energy: -1.342
local terms energy: -844.986833
where:
bonds (distance) C4'-P energy: -141.119
bonds (distance) P-C4' energy: -161.444
flat angles C4'-P-C4' energy: -181.504
flat angles P-C4'-P energy: -125.724
tors. eta vs tors. theta energy: -235.197
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: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2787.760298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.760298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.443375 (E_RNA)
where:
Base-Base interactions energy: -1924.310
where: short stacking energy: -805.199
Base-Backbone interact. energy: -3.160
local terms energy: -861.974274
where:
bonds (distance) C4'-P energy: -154.361
bonds (distance) P-C4' energy: -159.536
flat angles C4'-P-C4' energy: -186.896
flat angles P-C4'-P energy: -123.007
tors. eta vs tors. theta energy: -238.175
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: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2724.292138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.292138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.292827 (E_RNA)
where:
Base-Base interactions energy: -1922.664
where: short stacking energy: -799.288
Base-Backbone interact. energy: 2.956
local terms energy: -806.584497
where:
bonds (distance) C4'-P energy: -147.596
bonds (distance) P-C4' energy: -149.731
flat angles C4'-P-C4' energy: -165.376
flat angles P-C4'-P energy: -123.292
tors. eta vs tors. theta energy: -220.590
Dist. restrs. and SS energy: 2.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2499.041212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.041212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.658782 (E_RNA)
where:
Base-Base interactions energy: -1741.464
where: short stacking energy: -718.265
Base-Backbone interact. energy: 0.588
local terms energy: -760.782704
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -147.810
flat angles C4'-P-C4' energy: -162.570
flat angles P-C4'-P energy: -119.114
tors. eta vs tors. theta energy: -193.128
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2361.609194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.609194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.488564 (E_RNA)
where:
Base-Base interactions energy: -1608.221
where: short stacking energy: -697.575
Base-Backbone interact. energy: -1.690
local terms energy: -753.578036
where:
bonds (distance) C4'-P energy: -126.568
bonds (distance) P-C4' energy: -156.791
flat angles C4'-P-C4' energy: -169.269
flat angles P-C4'-P energy: -110.781
tors. eta vs tors. theta energy: -190.169
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2130.839247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.839247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.693645 (E_RNA)
where:
Base-Base interactions energy: -1424.735
where: short stacking energy: -621.523
Base-Backbone interact. energy: -1.851
local terms energy: -706.107191
where:
bonds (distance) C4'-P energy: -144.723
bonds (distance) P-C4' energy: -126.290
flat angles C4'-P-C4' energy: -159.868
flat angles P-C4'-P energy: -95.361
tors. eta vs tors. theta energy: -179.866
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: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2096.014516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.014516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.443590 (E_RNA)
where:
Base-Base interactions energy: -1410.941
where: short stacking energy: -623.118
Base-Backbone interact. energy: -2.921
local terms energy: -684.581562
where:
bonds (distance) C4'-P energy: -122.581
bonds (distance) P-C4' energy: -153.993
flat angles C4'-P-C4' energy: -149.341
flat angles P-C4'-P energy: -85.233
tors. eta vs tors. theta energy: -173.434
Dist. restrs. and SS energy: 2.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2005.591883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.591883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.214822 (E_RNA)
where:
Base-Base interactions energy: -1374.921
where: short stacking energy: -549.604
Base-Backbone interact. energy: 3.739
local terms energy: -637.033214
where:
bonds (distance) C4'-P energy: -127.831
bonds (distance) P-C4' energy: -129.772
flat angles C4'-P-C4' energy: -144.211
flat angles P-C4'-P energy: -92.586
tors. eta vs tors. theta energy: -142.633
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: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1918.152919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.152919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.290145 (E_RNA)
where:
Base-Base interactions energy: -1275.113
where: short stacking energy: -544.753
Base-Backbone interact. energy: -1.934
local terms energy: -646.243219
where:
bonds (distance) C4'-P energy: -123.084
bonds (distance) P-C4' energy: -147.672
flat angles C4'-P-C4' energy: -137.965
flat angles P-C4'-P energy: -91.798
tors. eta vs tors. theta energy: -145.725
Dist. restrs. and SS energy: 5.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1842.748329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.748329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.632141 (E_RNA)
where:
Base-Base interactions energy: -1248.160
where: short stacking energy: -480.825
Base-Backbone interact. energy: -0.333
local terms energy: -595.139258
where:
bonds (distance) C4'-P energy: -112.120
bonds (distance) P-C4' energy: -136.470
flat angles C4'-P-C4' energy: -130.356
flat angles P-C4'-P energy: -95.292
tors. eta vs tors. theta energy: -120.900
Dist. restrs. and SS energy: 0.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2855.795440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.795440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.873235 (E_RNA)
where:
Base-Base interactions energy: -1965.250
where: short stacking energy: -816.774
Base-Backbone interact. energy: -1.597
local terms energy: -890.026232
where:
bonds (distance) C4'-P energy: -159.894
bonds (distance) P-C4' energy: -160.004
flat angles C4'-P-C4' energy: -188.474
flat angles P-C4'-P energy: -135.588
tors. eta vs tors. theta energy: -246.066
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2795.794223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.794223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.861872 (E_RNA)
where:
Base-Base interactions energy: -1913.351
where: short stacking energy: -820.704
Base-Backbone interact. energy: -4.277
local terms energy: -879.233350
where:
bonds (distance) C4'-P energy: -174.749
bonds (distance) P-C4' energy: -142.490
flat angles C4'-P-C4' energy: -184.707
flat angles P-C4'-P energy: -134.114
tors. eta vs tors. theta energy: -243.173
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: 3, replica: 1
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2699.330935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.330935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.942697 (E_RNA)
where:
Base-Base interactions energy: -1885.777
where: short stacking energy: -776.960
Base-Backbone interact. energy: -3.288
local terms energy: -810.877588
where:
bonds (distance) C4'-P energy: -155.292
bonds (distance) P-C4' energy: -140.480
flat angles C4'-P-C4' energy: -178.037
flat angles P-C4'-P energy: -106.312
tors. eta vs tors. theta energy: -230.755
Dist. restrs. and SS energy: 0.612 (S_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: 304
Temperature: 1.050000
Total energy: -2497.377649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.377649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.959584 (E_RNA)
where:
Base-Base interactions energy: -1709.002
where: short stacking energy: -733.994
Base-Backbone interact. energy: -2.899
local terms energy: -788.058868
where:
bonds (distance) C4'-P energy: -146.157
bonds (distance) P-C4' energy: -145.123
flat angles C4'-P-C4' energy: -176.416
flat angles P-C4'-P energy: -115.511
tors. eta vs tors. theta energy: -204.852
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: 5, replica: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2365.092749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.092749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.916976 (E_RNA)
where:
Base-Base interactions energy: -1615.502
where: short stacking energy: -698.196
Base-Backbone interact. energy: -2.200
local terms energy: -749.214659
where:
bonds (distance) C4'-P energy: -150.473
bonds (distance) P-C4' energy: -155.439
flat angles C4'-P-C4' energy: -159.135
flat angles P-C4'-P energy: -85.764
tors. eta vs tors. theta energy: -198.403
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: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2197.296251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.296251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.229516 (E_RNA)
where:
Base-Base interactions energy: -1515.166
where: short stacking energy: -632.968
Base-Backbone interact. energy: -1.301
local terms energy: -682.762758
where:
bonds (distance) C4'-P energy: -112.445
bonds (distance) P-C4' energy: -154.393
flat angles C4'-P-C4' energy: -147.949
flat angles P-C4'-P energy: -95.716
tors. eta vs tors. theta energy: -172.260
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: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2132.560583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.560583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.483033 (E_RNA)
where:
Base-Base interactions energy: -1463.382
where: short stacking energy: -633.111
Base-Backbone interact. energy: 8.905
local terms energy: -681.005982
where:
bonds (distance) C4'-P energy: -136.166
bonds (distance) P-C4' energy: -129.318
flat angles C4'-P-C4' energy: -145.840
flat angles P-C4'-P energy: -82.920
tors. eta vs tors. theta energy: -186.762
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: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2095.652909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.652909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.659299 (E_RNA)
where:
Base-Base interactions energy: -1414.705
where: short stacking energy: -592.560
Base-Backbone interact. energy: -2.100
local terms energy: -680.854655
where:
bonds (distance) C4'-P energy: -123.907
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -150.180
flat angles P-C4'-P energy: -124.965
tors. eta vs tors. theta energy: -153.869
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: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1921.700393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.700393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.383830 (E_RNA)
where:
Base-Base interactions energy: -1309.379
where: short stacking energy: -563.617
Base-Backbone interact. energy: 6.151
local terms energy: -622.156630
where:
bonds (distance) C4'-P energy: -124.710
bonds (distance) P-C4' energy: -136.354
flat angles C4'-P-C4' energy: -129.682
flat angles P-C4'-P energy: -88.573
tors. eta vs tors. theta energy: -142.838
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1854.529226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.529226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.770031 (E_RNA)
where:
Base-Base interactions energy: -1267.552
where: short stacking energy: -513.043
Base-Backbone interact. energy: 0.856
local terms energy: -591.073569
where:
bonds (distance) C4'-P energy: -134.233
bonds (distance) P-C4' energy: -129.075
flat angles C4'-P-C4' energy: -132.217
flat angles P-C4'-P energy: -82.627
tors. eta vs tors. theta energy: -112.922
Dist. restrs. and SS energy: 3.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2876.827898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.827898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.328811 (E_RNA)
where:
Base-Base interactions energy: -1986.926
where: short stacking energy: -829.270
Base-Backbone interact. energy: -0.440
local terms energy: -890.963292
where:
bonds (distance) C4'-P energy: -169.122
bonds (distance) P-C4' energy: -158.356
flat angles C4'-P-C4' energy: -189.942
flat angles P-C4'-P energy: -123.426
tors. eta vs tors. theta energy: -250.118
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2762.297640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.297640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.139238 (E_RNA)
where:
Base-Base interactions energy: -1908.482
where: short stacking energy: -789.373
Base-Backbone interact. energy: 0.579
local terms energy: -856.237017
where:
bonds (distance) C4'-P energy: -149.999
bonds (distance) P-C4' energy: -151.513
flat angles C4'-P-C4' energy: -190.777
flat angles P-C4'-P energy: -118.536
tors. eta vs tors. theta energy: -245.413
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: 3, replica: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2712.210152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.210152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.233497 (E_RNA)
where:
Base-Base interactions energy: -1881.580
where: short stacking energy: -752.511
Base-Backbone interact. energy: -5.765
local terms energy: -825.887656
where:
bonds (distance) C4'-P energy: -152.086
bonds (distance) P-C4' energy: -169.550
flat angles C4'-P-C4' energy: -174.553
flat angles P-C4'-P energy: -121.039
tors. eta vs tors. theta energy: -208.659
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: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2529.699412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.699412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.026504 (E_RNA)
where:
Base-Base interactions energy: -1729.960
where: short stacking energy: -733.392
Base-Backbone interact. energy: 2.864
local terms energy: -804.930991
where:
bonds (distance) C4'-P energy: -134.752
bonds (distance) P-C4' energy: -164.757
flat angles C4'-P-C4' energy: -183.927
flat angles P-C4'-P energy: -111.812
tors. eta vs tors. theta energy: -209.683
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2356.529556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.529556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.655281 (E_RNA)
where:
Base-Base interactions energy: -1598.088
where: short stacking energy: -690.286
Base-Backbone interact. energy: -2.054
local terms energy: -757.513239
where:
bonds (distance) C4'-P energy: -147.251
bonds (distance) P-C4' energy: -135.737
flat angles C4'-P-C4' energy: -168.897
flat angles P-C4'-P energy: -118.840
tors. eta vs tors. theta energy: -186.789
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: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2285.210893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.210893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.731161 (E_RNA)
where:
Base-Base interactions energy: -1544.680
where: short stacking energy: -687.257
Base-Backbone interact. energy: -2.576
local terms energy: -739.475140
where:
bonds (distance) C4'-P energy: -145.283
bonds (distance) P-C4' energy: -138.185
flat angles C4'-P-C4' energy: -157.184
flat angles P-C4'-P energy: -106.813
tors. eta vs tors. theta energy: -192.010
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: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2146.893109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.893109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.337840 (E_RNA)
where:
Base-Base interactions energy: -1441.485
where: short stacking energy: -636.780
Base-Backbone interact. energy: -2.407
local terms energy: -704.446499
where:
bonds (distance) C4'-P energy: -127.917
bonds (distance) P-C4' energy: -139.153
flat angles C4'-P-C4' energy: -155.351
flat angles P-C4'-P energy: -103.190
tors. eta vs tors. theta energy: -178.836
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: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2057.886547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.011722 (E_RNA)
where:
Base-Base interactions energy: -1423.951
where: short stacking energy: -570.753
Base-Backbone interact. energy: 0.701
local terms energy: -636.761344
where:
bonds (distance) C4'-P energy: -123.293
bonds (distance) P-C4' energy: -135.848
flat angles C4'-P-C4' energy: -133.497
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -151.785
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1938.259881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.259881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.527907 (E_RNA)
where:
Base-Base interactions energy: -1341.690
where: short stacking energy: -568.718
Base-Backbone interact. energy: 3.610
local terms energy: -602.446953
where:
bonds (distance) C4'-P energy: -135.138
bonds (distance) P-C4' energy: -127.210
flat angles C4'-P-C4' energy: -131.688
flat angles P-C4'-P energy: -65.426
tors. eta vs tors. theta energy: -142.984
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1853.338548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.338548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.451703 (E_RNA)
where:
Base-Base interactions energy: -1302.560
where: short stacking energy: -525.759
Base-Backbone interact. energy: 6.008
local terms energy: -558.899417
where:
bonds (distance) C4'-P energy: -98.574
bonds (distance) P-C4' energy: -114.884
flat angles C4'-P-C4' energy: -130.655
flat angles P-C4'-P energy: -86.619
tors. eta vs tors. theta energy: -128.166
Dist. restrs. and SS energy: 2.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2897.990574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.990574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.841548 (E_RNA)
where:
Base-Base interactions energy: -2028.596
where: short stacking energy: -842.398
Base-Backbone interact. energy: -0.143
local terms energy: -871.102725
where:
bonds (distance) C4'-P energy: -148.518
bonds (distance) P-C4' energy: -164.904
flat angles C4'-P-C4' energy: -179.715
flat angles P-C4'-P energy: -116.982
tors. eta vs tors. theta energy: -260.984
Dist. restrs. and SS energy: 1.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2759.207418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.207418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.233793 (E_RNA)
where:
Base-Base interactions energy: -1904.619
where: short stacking energy: -812.188
Base-Backbone interact. energy: -4.924
local terms energy: -851.690998
where:
bonds (distance) C4'-P energy: -139.652
bonds (distance) P-C4' energy: -161.326
flat angles C4'-P-C4' energy: -185.802
flat angles P-C4'-P energy: -114.096
tors. eta vs tors. theta energy: -250.814
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: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2678.948605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.948605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.839777 (E_RNA)
where:
Base-Base interactions energy: -1842.936
where: short stacking energy: -744.583
Base-Backbone interact. energy: -3.423
local terms energy: -834.480761
where:
bonds (distance) C4'-P energy: -161.926
bonds (distance) P-C4' energy: -166.993
flat angles C4'-P-C4' energy: -176.761
flat angles P-C4'-P energy: -114.666
tors. eta vs tors. theta energy: -214.135
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: 306
Temperature: 1.050000
Total energy: -2560.125768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.125768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.883954 (E_RNA)
where:
Base-Base interactions energy: -1743.186
where: short stacking energy: -739.780
Base-Backbone interact. energy: -0.150
local terms energy: -819.547500
where:
bonds (distance) C4'-P energy: -143.709
bonds (distance) P-C4' energy: -157.557
flat angles C4'-P-C4' energy: -180.179
flat angles P-C4'-P energy: -107.442
tors. eta vs tors. theta energy: -230.661
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: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2323.678448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.678448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.895875 (E_RNA)
where:
Base-Base interactions energy: -1576.667
where: short stacking energy: -708.857
Base-Backbone interact. energy: -5.273
local terms energy: -743.955930
where:
bonds (distance) C4'-P energy: -139.082
bonds (distance) P-C4' energy: -125.189
flat angles C4'-P-C4' energy: -173.800
flat angles P-C4'-P energy: -114.814
tors. eta vs tors. theta energy: -191.071
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: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2240.951335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.951335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.081232 (E_RNA)
where:
Base-Base interactions energy: -1534.390
where: short stacking energy: -654.116
Base-Backbone interact. energy: -5.177
local terms energy: -702.514755
where:
bonds (distance) C4'-P energy: -128.865
bonds (distance) P-C4' energy: -146.155
flat angles C4'-P-C4' energy: -146.127
flat angles P-C4'-P energy: -98.263
tors. eta vs tors. theta energy: -183.105
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: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2109.954137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.954137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.045657 (E_RNA)
where:
Base-Base interactions energy: -1408.080
where: short stacking energy: -619.180
Base-Backbone interact. energy: 0.545
local terms energy: -706.510571
where:
bonds (distance) C4'-P energy: -149.852
bonds (distance) P-C4' energy: -158.670
flat angles C4'-P-C4' energy: -134.536
flat angles P-C4'-P energy: -93.295
tors. eta vs tors. theta energy: -170.158
Dist. restrs. and SS energy: 4.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2056.396477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.396477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.227407 (E_RNA)
where:
Base-Base interactions energy: -1381.796
where: short stacking energy: -591.301
Base-Backbone interact. energy: -0.349
local terms energy: -677.081697
where:
bonds (distance) C4'-P energy: -135.127
bonds (distance) P-C4' energy: -141.425
flat angles C4'-P-C4' energy: -145.838
flat angles P-C4'-P energy: -104.612
tors. eta vs tors. theta energy: -150.080
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1924.257941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.257941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.129509 (E_RNA)
where:
Base-Base interactions energy: -1296.306
where: short stacking energy: -562.906
Base-Backbone interact. energy: -0.812
local terms energy: -630.012308
where:
bonds (distance) C4'-P energy: -135.091
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -158.003
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -134.683
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1916.757984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.757984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.116398 (E_RNA)
where:
Base-Base interactions energy: -1275.322
where: short stacking energy: -537.017
Base-Backbone interact. energy: -2.587
local terms energy: -641.208090
where:
bonds (distance) C4'-P energy: -142.709
bonds (distance) P-C4' energy: -124.573
flat angles C4'-P-C4' energy: -139.140
flat angles P-C4'-P energy: -88.109
tors. eta vs tors. theta energy: -146.679
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: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2885.189254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.189254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.659026 (E_RNA)
where:
Base-Base interactions energy: -2027.751
where: short stacking energy: -795.639
Base-Backbone interact. energy: 0.245
local terms energy: -859.153019
where:
bonds (distance) C4'-P energy: -156.363
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -180.803
flat angles P-C4'-P energy: -116.570
tors. eta vs tors. theta energy: -248.559
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: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2774.677315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.677315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.154786 (E_RNA)
where:
Base-Base interactions energy: -1934.862
where: short stacking energy: -794.598
Base-Backbone interact. energy: -6.285
local terms energy: -835.008094
where:
bonds (distance) C4'-P energy: -141.399
bonds (distance) P-C4' energy: -166.734
flat angles C4'-P-C4' energy: -170.743
flat angles P-C4'-P energy: -119.582
tors. eta vs tors. theta energy: -236.551
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2692.527221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.527221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.889154 (E_RNA)
where:
Base-Base interactions energy: -1856.280
where: short stacking energy: -792.662
Base-Backbone interact. energy: 3.422
local terms energy: -841.031954
where:
bonds (distance) C4'-P energy: -141.038
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -187.278
flat angles P-C4'-P energy: -114.927
tors. eta vs tors. theta energy: -240.931
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: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2561.957302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.957302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.280376 (E_RNA)
where:
Base-Base interactions energy: -1732.838
where: short stacking energy: -766.770
Base-Backbone interact. energy: -0.931
local terms energy: -830.511205
where:
bonds (distance) C4'-P energy: -155.350
bonds (distance) P-C4' energy: -153.839
flat angles C4'-P-C4' energy: -174.204
flat angles P-C4'-P energy: -118.733
tors. eta vs tors. theta energy: -228.385
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: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2315.051560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.051560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.462949 (E_RNA)
where:
Base-Base interactions energy: -1572.147
where: short stacking energy: -703.831
Base-Backbone interact. energy: -0.513
local terms energy: -744.802606
where:
bonds (distance) C4'-P energy: -145.690
bonds (distance) P-C4' energy: -128.062
flat angles C4'-P-C4' energy: -158.012
flat angles P-C4'-P energy: -114.803
tors. eta vs tors. theta energy: -198.236
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2282.128315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.128315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.551230 (E_RNA)
where:
Base-Base interactions energy: -1551.799
where: short stacking energy: -681.468
Base-Backbone interact. energy: -0.707
local terms energy: -731.044711
where:
bonds (distance) C4'-P energy: -123.962
bonds (distance) P-C4' energy: -153.626
flat angles C4'-P-C4' energy: -167.593
flat angles P-C4'-P energy: -96.079
tors. eta vs tors. theta energy: -189.786
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: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2131.336644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.336644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.744073 (E_RNA)
where:
Base-Base interactions energy: -1415.668
where: short stacking energy: -619.410
Base-Backbone interact. energy: -0.427
local terms energy: -717.649163
where:
bonds (distance) C4'-P energy: -135.071
bonds (distance) P-C4' energy: -148.363
flat angles C4'-P-C4' energy: -150.902
flat angles P-C4'-P energy: -100.284
tors. eta vs tors. theta energy: -183.028
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: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -2068.189521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.189521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.017223 (E_RNA)
where:
Base-Base interactions energy: -1398.622
where: short stacking energy: -575.205
Base-Backbone interact. energy: -2.456
local terms energy: -668.938648
where:
bonds (distance) C4'-P energy: -122.635
bonds (distance) P-C4' energy: -145.442
flat angles C4'-P-C4' energy: -163.999
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -147.581
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1899.709387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.709387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.725204 (E_RNA)
where:
Base-Base interactions energy: -1278.199
where: short stacking energy: -556.904
Base-Backbone interact. energy: -1.337
local terms energy: -623.189475
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -130.413
flat angles C4'-P-C4' energy: -149.919
flat angles P-C4'-P energy: -83.296
tors. eta vs tors. theta energy: -139.213
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1868.155130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.155130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.717206 (E_RNA)
where:
Base-Base interactions energy: -1251.135
where: short stacking energy: -524.679
Base-Backbone interact. energy: 2.960
local terms energy: -622.542741
where:
bonds (distance) C4'-P energy: -123.930
bonds (distance) P-C4' energy: -116.415
flat angles C4'-P-C4' energy: -153.710
flat angles P-C4'-P energy: -84.664
tors. eta vs tors. theta energy: -143.824
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2906.643316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.643316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.345274 (E_RNA)
where:
Base-Base interactions energy: -2018.833
where: short stacking energy: -869.927
Base-Backbone interact. energy: -4.245
local terms energy: -885.267334
where:
bonds (distance) C4'-P energy: -158.486
bonds (distance) P-C4' energy: -154.822
flat angles C4'-P-C4' energy: -183.428
flat angles P-C4'-P energy: -134.249
tors. eta vs tors. theta energy: -254.284
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: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2780.925599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.925599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.532006 (E_RNA)
where:
Base-Base interactions energy: -1932.199
where: short stacking energy: -801.940
Base-Backbone interact. energy: 0.320
local terms energy: -850.652624
where:
bonds (distance) C4'-P energy: -155.391
bonds (distance) P-C4' energy: -157.465
flat angles C4'-P-C4' energy: -186.056
flat angles P-C4'-P energy: -114.966
tors. eta vs tors. theta energy: -236.774
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2726.235418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.235418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.798541 (E_RNA)
where:
Base-Base interactions energy: -1883.922
where: short stacking energy: -806.733
Base-Backbone interact. energy: 0.839
local terms energy: -844.715141
where:
bonds (distance) C4'-P energy: -149.675
bonds (distance) P-C4' energy: -165.194
flat angles C4'-P-C4' energy: -168.137
flat angles P-C4'-P energy: -124.635
tors. eta vs tors. theta energy: -237.075
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: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2540.520549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.520549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.183860 (E_RNA)
where:
Base-Base interactions energy: -1724.216
where: short stacking energy: -737.676
Base-Backbone interact. energy: 8.875
local terms energy: -827.842914
where:
bonds (distance) C4'-P energy: -161.880
bonds (distance) P-C4' energy: -148.233
flat angles C4'-P-C4' energy: -175.614
flat angles P-C4'-P energy: -122.700
tors. eta vs tors. theta energy: -219.416
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2325.273333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.273333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.167380 (E_RNA)
where:
Base-Base interactions energy: -1576.654
where: short stacking energy: -688.208
Base-Backbone interact. energy: -3.419
local terms energy: -747.094305
where:
bonds (distance) C4'-P energy: -141.055
bonds (distance) P-C4' energy: -147.307
flat angles C4'-P-C4' energy: -165.208
flat angles P-C4'-P energy: -104.019
tors. eta vs tors. theta energy: -189.505
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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2195.548453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.548453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.138040 (E_RNA)
where:
Base-Base interactions energy: -1511.712
where: short stacking energy: -658.435
Base-Backbone interact. energy: 1.184
local terms energy: -688.610891
where:
bonds (distance) C4'-P energy: -140.206
bonds (distance) P-C4' energy: -130.940
flat angles C4'-P-C4' energy: -162.974
flat angles P-C4'-P energy: -79.204
tors. eta vs tors. theta energy: -175.287
Dist. restrs. and SS energy: 3.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2112.511028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.215807 (E_RNA)
where:
Base-Base interactions energy: -1410.316
where: short stacking energy: -642.934
Base-Backbone interact. energy: 1.652
local terms energy: -706.552060
where:
bonds (distance) C4'-P energy: -108.904
bonds (distance) P-C4' energy: -143.305
flat angles C4'-P-C4' energy: -165.187
flat angles P-C4'-P energy: -112.589
tors. eta vs tors. theta energy: -176.568
Dist. restrs. and SS energy: 2.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2063.988451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.635551 (E_RNA)
where:
Base-Base interactions energy: -1425.092
where: short stacking energy: -621.667
Base-Backbone interact. energy: 3.737
local terms energy: -644.280877
where:
bonds (distance) C4'-P energy: -140.898
bonds (distance) P-C4' energy: -123.648
flat angles C4'-P-C4' energy: -129.176
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -172.233
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: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1911.552142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.552142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.134700 (E_RNA)
where:
Base-Base interactions energy: -1282.881
where: short stacking energy: -533.577
Base-Backbone interact. energy: -2.599
local terms energy: -627.654180
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -129.673
flat angles C4'-P-C4' energy: -128.023
flat angles P-C4'-P energy: -99.379
tors. eta vs tors. theta energy: -136.459
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: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1853.321656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.321656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.358883 (E_RNA)
where:
Base-Base interactions energy: -1253.011
where: short stacking energy: -542.555
Base-Backbone interact. energy: 1.593
local terms energy: -606.941097
where:
bonds (distance) C4'-P energy: -122.073
bonds (distance) P-C4' energy: -137.387
flat angles C4'-P-C4' energy: -138.467
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -134.765
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2858.715870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.715870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.651742 (E_RNA)
where:
Base-Base interactions energy: -1956.029
where: short stacking energy: -825.500
Base-Backbone interact. energy: -2.808
local terms energy: -901.814521
where:
bonds (distance) C4'-P energy: -167.528
bonds (distance) P-C4' energy: -188.411
flat angles C4'-P-C4' energy: -173.459
flat angles P-C4'-P energy: -121.228
tors. eta vs tors. theta energy: -251.188
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2754.590246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.590246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.359493 (E_RNA)
where:
Base-Base interactions energy: -1945.679
where: short stacking energy: -770.658
Base-Backbone interact. energy: 1.228
local terms energy: -811.908393
where:
bonds (distance) C4'-P energy: -155.836
bonds (distance) P-C4' energy: -149.003
flat angles C4'-P-C4' energy: -175.527
flat angles P-C4'-P energy: -105.940
tors. eta vs tors. theta energy: -225.602
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: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2707.679259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.679259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.765784 (E_RNA)
where:
Base-Base interactions energy: -1883.968
where: short stacking energy: -805.495
Base-Backbone interact. energy: 0.644
local terms energy: -825.441917
where:
bonds (distance) C4'-P energy: -151.717
bonds (distance) P-C4' energy: -135.143
flat angles C4'-P-C4' energy: -179.399
flat angles P-C4'-P energy: -115.821
tors. eta vs tors. theta energy: -243.362
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: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2509.613280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.613280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.150239 (E_RNA)
where:
Base-Base interactions energy: -1729.732
where: short stacking energy: -728.288
Base-Backbone interact. energy: 1.793
local terms energy: -784.211322
where:
bonds (distance) C4'-P energy: -142.175
bonds (distance) P-C4' energy: -147.973
flat angles C4'-P-C4' energy: -183.386
flat angles P-C4'-P energy: -99.913
tors. eta vs tors. theta energy: -210.764
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2361.980961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.980961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.698430 (E_RNA)
where:
Base-Base interactions energy: -1622.761
where: short stacking energy: -702.672
Base-Backbone interact. energy: 2.966
local terms energy: -742.904152
where:
bonds (distance) C4'-P energy: -150.806
bonds (distance) P-C4' energy: -122.399
flat angles C4'-P-C4' energy: -171.381
flat angles P-C4'-P energy: -95.161
tors. eta vs tors. theta energy: -203.158
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2228.396452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.396452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.657954 (E_RNA)
where:
Base-Base interactions energy: -1498.638
where: short stacking energy: -630.944
Base-Backbone interact. energy: 2.287
local terms energy: -734.306753
where:
bonds (distance) C4'-P energy: -149.116
bonds (distance) P-C4' energy: -137.204
flat angles C4'-P-C4' energy: -173.927
flat angles P-C4'-P energy: -92.635
tors. eta vs tors. theta energy: -181.425
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2090.996046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.364140 (E_RNA)
where:
Base-Base interactions energy: -1399.338
where: short stacking energy: -598.093
Base-Backbone interact. energy: -1.261
local terms energy: -692.766009
where:
bonds (distance) C4'-P energy: -129.392
bonds (distance) P-C4' energy: -130.467
flat angles C4'-P-C4' energy: -157.151
flat angles P-C4'-P energy: -102.444
tors. eta vs tors. theta energy: -173.312
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2112.784064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.784064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.630036 (E_RNA)
where:
Base-Base interactions energy: -1450.522
where: short stacking energy: -628.976
Base-Backbone interact. energy: -1.907
local terms energy: -663.200570
where:
bonds (distance) C4'-P energy: -126.630
bonds (distance) P-C4' energy: -141.348
flat angles C4'-P-C4' energy: -127.921
flat angles P-C4'-P energy: -107.014
tors. eta vs tors. theta energy: -160.287
Dist. restrs. and SS energy: 2.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1960.633174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.633174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.221004 (E_RNA)
where:
Base-Base interactions energy: -1299.742
where: short stacking energy: -532.459
Base-Backbone interact. energy: 1.066
local terms energy: -665.544232
where:
bonds (distance) C4'-P energy: -142.045
bonds (distance) P-C4' energy: -141.719
flat angles C4'-P-C4' energy: -150.383
flat angles P-C4'-P energy: -85.954
tors. eta vs tors. theta energy: -145.444
Dist. restrs. and SS energy: 3.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1846.519891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.519891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.367561 (E_RNA)
where:
Base-Base interactions energy: -1254.461
where: short stacking energy: -533.851
Base-Backbone interact. energy: 3.210
local terms energy: -600.116921
where:
bonds (distance) C4'-P energy: -119.647
bonds (distance) P-C4' energy: -129.831
flat angles C4'-P-C4' energy: -147.058
flat angles P-C4'-P energy: -61.569
tors. eta vs tors. theta energy: -142.011
Dist. restrs. and SS energy: 4.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2887.731744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.731744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.501865 (E_RNA)
where:
Base-Base interactions energy: -1988.282
where: short stacking energy: -833.416
Base-Backbone interact. energy: -2.134
local terms energy: -899.086255
where:
bonds (distance) C4'-P energy: -177.717
bonds (distance) P-C4' energy: -167.220
flat angles C4'-P-C4' energy: -184.138
flat angles P-C4'-P energy: -119.538
tors. eta vs tors. theta energy: -250.472
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: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2740.619510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.619510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.051621 (E_RNA)
where:
Base-Base interactions energy: -1896.107
where: short stacking energy: -782.358
Base-Backbone interact. energy: -2.041
local terms energy: -843.903297
where:
bonds (distance) C4'-P energy: -162.229
bonds (distance) P-C4' energy: -165.922
flat angles C4'-P-C4' energy: -178.598
flat angles P-C4'-P energy: -107.272
tors. eta vs tors. theta energy: -229.883
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2666.933905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.933905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.664148 (E_RNA)
where:
Base-Base interactions energy: -1809.538
where: short stacking energy: -795.764
Base-Backbone interact. energy: -5.253
local terms energy: -853.873459
where:
bonds (distance) C4'-P energy: -166.979
bonds (distance) P-C4' energy: -150.022
flat angles C4'-P-C4' energy: -176.093
flat angles P-C4'-P energy: -107.740
tors. eta vs tors. theta energy: -253.040
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: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2501.611654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.611654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.958443 (E_RNA)
where:
Base-Base interactions energy: -1713.507
where: short stacking energy: -720.043
Base-Backbone interact. energy: 1.282
local terms energy: -790.733671
where:
bonds (distance) C4'-P energy: -155.956
bonds (distance) P-C4' energy: -154.939
flat angles C4'-P-C4' energy: -163.073
flat angles P-C4'-P energy: -112.585
tors. eta vs tors. theta energy: -204.181
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: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2381.890251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.890251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.387262 (E_RNA)
where:
Base-Base interactions energy: -1609.172
where: short stacking energy: -668.734
Base-Backbone interact. energy: -3.512
local terms energy: -770.703963
where:
bonds (distance) C4'-P energy: -125.850
bonds (distance) P-C4' energy: -165.834
flat angles C4'-P-C4' energy: -166.502
flat angles P-C4'-P energy: -107.524
tors. eta vs tors. theta energy: -204.994
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: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2232.952936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.952936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.498934 (E_RNA)
where:
Base-Base interactions energy: -1497.734
where: short stacking energy: -634.680
Base-Backbone interact. energy: -0.832
local terms energy: -736.933757
where:
bonds (distance) C4'-P energy: -142.067
bonds (distance) P-C4' energy: -123.551
flat angles C4'-P-C4' energy: -167.012
flat angles P-C4'-P energy: -119.556
tors. eta vs tors. theta energy: -184.748
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2102.247225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.247225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.858063 (E_RNA)
where:
Base-Base interactions energy: -1422.548
where: short stacking energy: -622.654
Base-Backbone interact. energy: -2.177
local terms energy: -680.133725
where:
bonds (distance) C4'-P energy: -133.573
bonds (distance) P-C4' energy: -133.246
flat angles C4'-P-C4' energy: -154.503
flat angles P-C4'-P energy: -99.892
tors. eta vs tors. theta energy: -158.920
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: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2071.230738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.230738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.527382 (E_RNA)
where:
Base-Base interactions energy: -1427.223
where: short stacking energy: -598.338
Base-Backbone interact. energy: 0.032
local terms energy: -646.335695
where:
bonds (distance) C4'-P energy: -127.268
bonds (distance) P-C4' energy: -115.840
flat angles C4'-P-C4' energy: -154.879
flat angles P-C4'-P energy: -89.564
tors. eta vs tors. theta energy: -158.784
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1970.310637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.310637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.482868 (E_RNA)
where:
Base-Base interactions energy: -1354.908
where: short stacking energy: -576.681
Base-Backbone interact. energy: -0.081
local terms energy: -617.493467
where:
bonds (distance) C4'-P energy: -118.202
bonds (distance) P-C4' energy: -140.292
flat angles C4'-P-C4' energy: -138.780
flat angles P-C4'-P energy: -71.607
tors. eta vs tors. theta energy: -148.612
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: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1892.637806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.637806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.210672 (E_RNA)
where:
Base-Base interactions energy: -1267.079
where: short stacking energy: -531.158
Base-Backbone interact. energy: -1.150
local terms energy: -628.981425
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -149.412
flat angles C4'-P-C4' energy: -140.781
flat angles P-C4'-P energy: -87.146
tors. eta vs tors. theta energy: -144.295
Dist. restrs. and SS energy: 4.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2931.299809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.299809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.639402 (E_RNA)
where:
Base-Base interactions energy: -2022.896
where: short stacking energy: -894.326
Base-Backbone interact. energy: 1.442
local terms energy: -911.185090
where:
bonds (distance) C4'-P energy: -157.610
bonds (distance) P-C4' energy: -166.748
flat angles C4'-P-C4' energy: -190.188
flat angles P-C4'-P energy: -122.893
tors. eta vs tors. theta energy: -273.746
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: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2766.692589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.692589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.109330 (E_RNA)
where:
Base-Base interactions energy: -1908.742
where: short stacking energy: -797.064
Base-Backbone interact. energy: -4.618
local terms energy: -854.749774
where:
bonds (distance) C4'-P energy: -154.115
bonds (distance) P-C4' energy: -154.171
flat angles C4'-P-C4' energy: -192.698
flat angles P-C4'-P energy: -122.104
tors. eta vs tors. theta energy: -231.661
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: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2664.472175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.472175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.404454 (E_RNA)
where:
Base-Base interactions energy: -1856.222
where: short stacking energy: -796.460
Base-Backbone interact. energy: -1.052
local terms energy: -809.131178
where:
bonds (distance) C4'-P energy: -153.266
bonds (distance) P-C4' energy: -153.976
flat angles C4'-P-C4' energy: -172.210
flat angles P-C4'-P energy: -102.443
tors. eta vs tors. theta energy: -227.235
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: 311
Temperature: 1.050000
Total energy: -2575.417075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.417075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.576329 (E_RNA)
where:
Base-Base interactions energy: -1780.019
where: short stacking energy: -765.930
Base-Backbone interact. energy: -2.955
local terms energy: -793.602053
where:
bonds (distance) C4'-P energy: -134.856
bonds (distance) P-C4' energy: -132.487
flat angles C4'-P-C4' energy: -172.283
flat angles P-C4'-P energy: -123.948
tors. eta vs tors. theta energy: -230.029
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2374.539364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.539364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.617962 (E_RNA)
where:
Base-Base interactions energy: -1599.225
where: short stacking energy: -696.107
Base-Backbone interact. energy: 1.124
local terms energy: -778.516854
where:
bonds (distance) C4'-P energy: -142.193
bonds (distance) P-C4' energy: -159.546
flat angles C4'-P-C4' energy: -162.496
flat angles P-C4'-P energy: -124.732
tors. eta vs tors. theta energy: -189.549
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: 6, replica: 3
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2252.716553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.716553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.682807 (E_RNA)
where:
Base-Base interactions energy: -1511.686
where: short stacking energy: -672.649
Base-Backbone interact. energy: -2.758
local terms energy: -741.239359
where:
bonds (distance) C4'-P energy: -153.021
bonds (distance) P-C4' energy: -137.949
flat angles C4'-P-C4' energy: -158.014
flat angles P-C4'-P energy: -109.196
tors. eta vs tors. theta energy: -183.060
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: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2089.746576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.746576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.031961 (E_RNA)
where:
Base-Base interactions energy: -1401.165
where: short stacking energy: -602.022
Base-Backbone interact. energy: -4.041
local terms energy: -687.825749
where:
bonds (distance) C4'-P energy: -134.450
bonds (distance) P-C4' energy: -146.150
flat angles C4'-P-C4' energy: -145.310
flat angles P-C4'-P energy: -104.319
tors. eta vs tors. theta energy: -157.597
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: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1990.464050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.464050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.508595 (E_RNA)
where:
Base-Base interactions energy: -1348.889
where: short stacking energy: -578.319
Base-Backbone interact. energy: 1.407
local terms energy: -646.025985
where:
bonds (distance) C4'-P energy: -135.663
bonds (distance) P-C4' energy: -128.990
flat angles C4'-P-C4' energy: -136.986
flat angles P-C4'-P energy: -89.257
tors. eta vs tors. theta energy: -155.131
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: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1955.451176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.451176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.928647 (E_RNA)
where:
Base-Base interactions energy: -1358.821
where: short stacking energy: -570.021
Base-Backbone interact. energy: -1.245
local terms energy: -596.862501
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -117.131
flat angles C4'-P-C4' energy: -139.893
flat angles P-C4'-P energy: -84.274
tors. eta vs tors. theta energy: -135.925
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1872.635754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.635754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.336192 (E_RNA)
where:
Base-Base interactions energy: -1297.965
where: short stacking energy: -540.199
Base-Backbone interact. energy: -1.607
local terms energy: -575.764153
where:
bonds (distance) C4'-P energy: -127.923
bonds (distance) P-C4' energy: -127.017
flat angles C4'-P-C4' energy: -115.300
flat angles P-C4'-P energy: -68.087
tors. eta vs tors. theta energy: -137.438
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: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2895.801109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.801109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.561561 (E_RNA)
where:
Base-Base interactions energy: -1999.735
where: short stacking energy: -858.885
Base-Backbone interact. energy: 1.689
local terms energy: -900.514845
where:
bonds (distance) C4'-P energy: -157.926
bonds (distance) P-C4' energy: -158.048
flat angles C4'-P-C4' energy: -191.283
flat angles P-C4'-P energy: -133.384
tors. eta vs tors. theta energy: -259.874
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: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2840.233328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.233328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.688278 (E_RNA)
where:
Base-Base interactions energy: -1967.121
where: short stacking energy: -809.116
Base-Backbone interact. energy: -2.624
local terms energy: -871.942879
where:
bonds (distance) C4'-P energy: -162.733
bonds (distance) P-C4' energy: -157.955
flat angles C4'-P-C4' energy: -186.015
flat angles P-C4'-P energy: -121.471
tors. eta vs tors. theta energy: -243.770
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: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2671.899502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.899502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.857717 (E_RNA)
where:
Base-Base interactions energy: -1871.616
where: short stacking energy: -768.931
Base-Backbone interact. energy: -3.660
local terms energy: -799.581398
where:
bonds (distance) C4'-P energy: -151.642
bonds (distance) P-C4' energy: -144.856
flat angles C4'-P-C4' energy: -180.534
flat angles P-C4'-P energy: -102.992
tors. eta vs tors. theta energy: -219.556
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2512.359781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.359781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.493709 (E_RNA)
where:
Base-Base interactions energy: -1708.282
where: short stacking energy: -720.297
Base-Backbone interact. energy: -2.264
local terms energy: -802.947285
where:
bonds (distance) C4'-P energy: -155.713
bonds (distance) P-C4' energy: -147.097
flat angles C4'-P-C4' energy: -166.200
flat angles P-C4'-P energy: -119.170
tors. eta vs tors. theta energy: -214.766
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: 5, replica: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2374.052473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.052473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.014429 (E_RNA)
where:
Base-Base interactions energy: -1597.531
where: short stacking energy: -685.231
Base-Backbone interact. energy: -0.592
local terms energy: -777.891208
where:
bonds (distance) C4'-P energy: -156.396
bonds (distance) P-C4' energy: -146.867
flat angles C4'-P-C4' energy: -175.586
flat angles P-C4'-P energy: -112.930
tors. eta vs tors. theta energy: -186.112
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: 6, replica: 3
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2262.199606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.199606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.804939 (E_RNA)
where:
Base-Base interactions energy: -1546.769
where: short stacking energy: -695.068
Base-Backbone interact. energy: -2.411
local terms energy: -715.624084
where:
bonds (distance) C4'-P energy: -131.062
bonds (distance) P-C4' energy: -137.663
flat angles C4'-P-C4' energy: -151.247
flat angles P-C4'-P energy: -91.423
tors. eta vs tors. theta energy: -204.229
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: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2081.450954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.450954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.398964 (E_RNA)
where:
Base-Base interactions energy: -1424.370
where: short stacking energy: -606.599
Base-Backbone interact. energy: 1.746
local terms energy: -661.775000
where:
bonds (distance) C4'-P energy: -119.542
bonds (distance) P-C4' energy: -139.246
flat angles C4'-P-C4' energy: -155.593
flat angles P-C4'-P energy: -90.670
tors. eta vs tors. theta energy: -156.724
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: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2028.629401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.629401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.957305 (E_RNA)
where:
Base-Base interactions energy: -1395.251
where: short stacking energy: -589.186
Base-Backbone interact. energy: -3.250
local terms energy: -631.456574
where:
bonds (distance) C4'-P energy: -128.235
bonds (distance) P-C4' energy: -126.891
flat angles C4'-P-C4' energy: -148.353
flat angles P-C4'-P energy: -85.645
tors. eta vs tors. theta energy: -142.332
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: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1912.687342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.687342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.251773 (E_RNA)
where:
Base-Base interactions energy: -1315.525
where: short stacking energy: -543.293
Base-Backbone interact. energy: 7.258
local terms energy: -606.984049
where:
bonds (distance) C4'-P energy: -127.501
bonds (distance) P-C4' energy: -116.427
flat angles C4'-P-C4' energy: -136.294
flat angles P-C4'-P energy: -98.286
tors. eta vs tors. theta energy: -128.476
Dist. restrs. and SS energy: 2.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1848.489424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.489424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.755554 (E_RNA)
where:
Base-Base interactions energy: -1293.978
where: short stacking energy: -546.795
Base-Backbone interact. energy: -3.525
local terms energy: -553.251613
where:
bonds (distance) C4'-P energy: -122.919
bonds (distance) P-C4' energy: -112.995
flat angles C4'-P-C4' energy: -120.721
flat angles P-C4'-P energy: -62.360
tors. eta vs tors. theta energy: -134.256
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2857.625174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.625174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.133335 (E_RNA)
where:
Base-Base interactions energy: -1985.695
where: short stacking energy: -853.281
Base-Backbone interact. energy: -0.802
local terms energy: -872.636573
where:
bonds (distance) C4'-P energy: -165.208
bonds (distance) P-C4' energy: -158.110
flat angles C4'-P-C4' energy: -181.398
flat angles P-C4'-P energy: -111.730
tors. eta vs tors. theta energy: -256.190
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: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2826.203603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.203603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.341593 (E_RNA)
where:
Base-Base interactions energy: -1954.815
where: short stacking energy: -791.886
Base-Backbone interact. energy: -2.829
local terms energy: -869.697295
where:
bonds (distance) C4'-P energy: -144.890
bonds (distance) P-C4' energy: -163.906
flat angles C4'-P-C4' energy: -195.694
flat angles P-C4'-P energy: -130.040
tors. eta vs tors. theta energy: -235.167
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2701.442975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.442975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.824417 (E_RNA)
where:
Base-Base interactions energy: -1857.109
where: short stacking energy: -793.777
Base-Backbone interact. energy: 0.613
local terms energy: -847.328029
where:
bonds (distance) C4'-P energy: -142.232
bonds (distance) P-C4' energy: -163.724
flat angles C4'-P-C4' energy: -188.849
flat angles P-C4'-P energy: -115.929
tors. eta vs tors. theta energy: -236.594
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2486.605112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.605112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.528778 (E_RNA)
where:
Base-Base interactions energy: -1712.267
where: short stacking energy: -717.697
Base-Backbone interact. energy: -3.028
local terms energy: -773.233716
where:
bonds (distance) C4'-P energy: -135.995
bonds (distance) P-C4' energy: -157.065
flat angles C4'-P-C4' energy: -163.589
flat angles P-C4'-P energy: -110.563
tors. eta vs tors. theta energy: -206.023
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2337.220073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.220073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.130266 (E_RNA)
where:
Base-Base interactions energy: -1614.176
where: short stacking energy: -682.328
Base-Backbone interact. energy: -0.600
local terms energy: -724.354593
where:
bonds (distance) C4'-P energy: -142.721
bonds (distance) P-C4' energy: -136.119
flat angles C4'-P-C4' energy: -169.852
flat angles P-C4'-P energy: -92.287
tors. eta vs tors. theta energy: -183.375
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2261.719295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.719295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.251800 (E_RNA)
where:
Base-Base interactions energy: -1559.062
where: short stacking energy: -661.103
Base-Backbone interact. energy: 1.694
local terms energy: -705.883682
where:
bonds (distance) C4'-P energy: -120.429
bonds (distance) P-C4' energy: -138.269
flat angles C4'-P-C4' energy: -169.720
flat angles P-C4'-P energy: -96.063
tors. eta vs tors. theta energy: -181.403
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: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2075.542979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.542979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.486718 (E_RNA)
where:
Base-Base interactions energy: -1435.837
where: short stacking energy: -625.448
Base-Backbone interact. energy: 6.150
local terms energy: -647.800308
where:
bonds (distance) C4'-P energy: -124.934
bonds (distance) P-C4' energy: -147.073
flat angles C4'-P-C4' energy: -137.896
flat angles P-C4'-P energy: -81.940
tors. eta vs tors. theta energy: -155.957
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: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2050.966082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.966082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.805011 (E_RNA)
where:
Base-Base interactions energy: -1399.753
where: short stacking energy: -575.775
Base-Backbone interact. energy: 5.842
local terms energy: -663.893842
where:
bonds (distance) C4'-P energy: -122.528
bonds (distance) P-C4' energy: -140.347
flat angles C4'-P-C4' energy: -146.600
flat angles P-C4'-P energy: -105.645
tors. eta vs tors. theta energy: -148.775
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1928.024432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.024432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.880327 (E_RNA)
where:
Base-Base interactions energy: -1329.160
where: short stacking energy: -558.121
Base-Backbone interact. energy: 0.586
local terms energy: -601.306341
where:
bonds (distance) C4'-P energy: -120.956
bonds (distance) P-C4' energy: -117.566
flat angles C4'-P-C4' energy: -138.602
flat angles P-C4'-P energy: -76.873
tors. eta vs tors. theta energy: -147.310
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: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1869.615314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.615314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.078612 (E_RNA)
where:
Base-Base interactions energy: -1300.522
where: short stacking energy: -540.577
Base-Backbone interact. energy: 3.070
local terms energy: -575.627142
where:
bonds (distance) C4'-P energy: -129.368
bonds (distance) P-C4' energy: -107.079
flat angles C4'-P-C4' energy: -129.614
flat angles P-C4'-P energy: -78.772
tors. eta vs tors. theta energy: -130.794
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2867.685417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.685417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.108491 (E_RNA)
where:
Base-Base interactions energy: -1971.636
where: short stacking energy: -810.237
Base-Backbone interact. energy: -3.251
local terms energy: -894.220715
where:
bonds (distance) C4'-P energy: -159.981
bonds (distance) P-C4' energy: -174.183
flat angles C4'-P-C4' energy: -183.160
flat angles P-C4'-P energy: -130.322
tors. eta vs tors. theta energy: -246.575
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: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2820.487806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.487806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.567641 (E_RNA)
where:
Base-Base interactions energy: -1977.249
where: short stacking energy: -835.948
Base-Backbone interact. energy: -2.406
local terms energy: -841.913057
where:
bonds (distance) C4'-P energy: -139.811
bonds (distance) P-C4' energy: -160.064
flat angles C4'-P-C4' energy: -180.018
flat angles P-C4'-P energy: -128.024
tors. eta vs tors. theta energy: -233.995
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: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2651.429609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.429609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.970008 (E_RNA)
where:
Base-Base interactions energy: -1836.288
where: short stacking energy: -787.830
Base-Backbone interact. energy: -4.627
local terms energy: -812.055221
where:
bonds (distance) C4'-P energy: -144.831
bonds (distance) P-C4' energy: -146.962
flat angles C4'-P-C4' energy: -176.116
flat angles P-C4'-P energy: -117.723
tors. eta vs tors. theta energy: -226.424
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: 314
Temperature: 1.050000
Total energy: -2540.378315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.378315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.951270 (E_RNA)
where:
Base-Base interactions energy: -1739.155
where: short stacking energy: -738.743
Base-Backbone interact. energy: -0.963
local terms energy: -801.833026
where:
bonds (distance) C4'-P energy: -155.532
bonds (distance) P-C4' energy: -175.262
flat angles C4'-P-C4' energy: -160.636
flat angles P-C4'-P energy: -107.171
tors. eta vs tors. theta energy: -203.232
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2346.291908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.291908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.776064 (E_RNA)
where:
Base-Base interactions energy: -1581.993
where: short stacking energy: -673.051
Base-Backbone interact. energy: 1.785
local terms energy: -768.568194
where:
bonds (distance) C4'-P energy: -147.482
bonds (distance) P-C4' energy: -164.095
flat angles C4'-P-C4' energy: -164.763
flat angles P-C4'-P energy: -112.940
tors. eta vs tors. theta energy: -179.287
Dist. restrs. and SS energy: 2.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2235.745590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.745590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.756368 (E_RNA)
where:
Base-Base interactions energy: -1508.187
where: short stacking energy: -637.837
Base-Backbone interact. energy: 5.155
local terms energy: -733.723622
where:
bonds (distance) C4'-P energy: -132.117
bonds (distance) P-C4' energy: -151.899
flat angles C4'-P-C4' energy: -155.831
flat angles P-C4'-P energy: -102.889
tors. eta vs tors. theta energy: -190.988
Dist. restrs. and SS energy: 1.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2124.186405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.186405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.875357 (E_RNA)
where:
Base-Base interactions energy: -1460.367
where: short stacking energy: -617.820
Base-Backbone interact. energy: 1.179
local terms energy: -667.686607
where:
bonds (distance) C4'-P energy: -129.577
bonds (distance) P-C4' energy: -126.040
flat angles C4'-P-C4' energy: -148.252
flat angles P-C4'-P energy: -98.503
tors. eta vs tors. theta energy: -165.315
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1997.437366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.977405 (E_RNA)
where:
Base-Base interactions energy: -1358.991
where: short stacking energy: -558.088
Base-Backbone interact. energy: 4.288
local terms energy: -645.274203
where:
bonds (distance) C4'-P energy: -116.769
bonds (distance) P-C4' energy: -126.398
flat angles C4'-P-C4' energy: -142.848
flat angles P-C4'-P energy: -108.669
tors. eta vs tors. theta energy: -150.590
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1906.873985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.873985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.465553 (E_RNA)
where:
Base-Base interactions energy: -1275.341
where: short stacking energy: -548.059
Base-Backbone interact. energy: 1.701
local terms energy: -641.825974
where:
bonds (distance) C4'-P energy: -142.567
bonds (distance) P-C4' energy: -123.565
flat angles C4'-P-C4' energy: -142.999
flat angles P-C4'-P energy: -100.002
tors. eta vs tors. theta energy: -132.694
Dist. restrs. and SS energy: 8.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1915.927882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.927882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.499626 (E_RNA)
where:
Base-Base interactions energy: -1298.241
where: short stacking energy: -544.683
Base-Backbone interact. energy: 4.343
local terms energy: -624.601404
where:
bonds (distance) C4'-P energy: -121.050
bonds (distance) P-C4' energy: -145.138
flat angles C4'-P-C4' energy: -136.965
flat angles P-C4'-P energy: -86.289
tors. eta vs tors. theta energy: -135.160
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: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2857.735011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.735011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.779209 (E_RNA)
where:
Base-Base interactions energy: -1988.505
where: short stacking energy: -820.721
Base-Backbone interact. energy: -2.088
local terms energy: -868.186425
where:
bonds (distance) C4'-P energy: -153.116
bonds (distance) P-C4' energy: -141.742
flat angles C4'-P-C4' energy: -188.013
flat angles P-C4'-P energy: -135.755
tors. eta vs tors. theta energy: -249.560
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: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2805.282563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.282563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.534152 (E_RNA)
where:
Base-Base interactions energy: -1932.690
where: short stacking energy: -809.345
Base-Backbone interact. energy: -0.352
local terms energy: -873.492573
where:
bonds (distance) C4'-P energy: -150.902
bonds (distance) P-C4' energy: -167.578
flat angles C4'-P-C4' energy: -192.603
flat angles P-C4'-P energy: -124.517
tors. eta vs tors. theta energy: -237.893
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: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2648.759546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.759546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.716871 (E_RNA)
where:
Base-Base interactions energy: -1836.385
where: short stacking energy: -763.200
Base-Backbone interact. energy: -3.909
local terms energy: -810.422359
where:
bonds (distance) C4'-P energy: -135.103
bonds (distance) P-C4' energy: -159.921
flat angles C4'-P-C4' energy: -168.746
flat angles P-C4'-P energy: -121.286
tors. eta vs tors. theta energy: -225.367
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: 4, replica: 9
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2558.549116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.549116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.756283 (E_RNA)
where:
Base-Base interactions energy: -1774.363
where: short stacking energy: -738.202
Base-Backbone interact. energy: 0.013
local terms energy: -785.406721
where:
bonds (distance) C4'-P energy: -142.045
bonds (distance) P-C4' energy: -144.359
flat angles C4'-P-C4' energy: -172.424
flat angles P-C4'-P energy: -114.975
tors. eta vs tors. theta energy: -211.603
Dist. restrs. and SS energy: 1.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2382.144453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.144453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.392276 (E_RNA)
where:
Base-Base interactions energy: -1623.925
where: short stacking energy: -710.286
Base-Backbone interact. energy: 0.883
local terms energy: -761.350159
where:
bonds (distance) C4'-P energy: -161.416
bonds (distance) P-C4' energy: -159.635
flat angles C4'-P-C4' energy: -144.821
flat angles P-C4'-P energy: -100.117
tors. eta vs tors. theta energy: -195.360
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2196.532974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.532974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.368167 (E_RNA)
where:
Base-Base interactions energy: -1489.436
where: short stacking energy: -666.366
Base-Backbone interact. energy: -3.103
local terms energy: -705.829290
where:
bonds (distance) C4'-P energy: -145.225
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -153.961
flat angles P-C4'-P energy: -92.333
tors. eta vs tors. theta energy: -173.962
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: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2126.812538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.812538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.108590 (E_RNA)
where:
Base-Base interactions energy: -1467.440
where: short stacking energy: -609.040
Base-Backbone interact. energy: 4.918
local terms energy: -665.586583
where:
bonds (distance) C4'-P energy: -131.410
bonds (distance) P-C4' energy: -138.409
flat angles C4'-P-C4' energy: -149.260
flat angles P-C4'-P energy: -80.075
tors. eta vs tors. theta energy: -166.434
Dist. restrs. and SS energy: 1.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2001.785912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.785912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.658839 (E_RNA)
where:
Base-Base interactions energy: -1361.994
where: short stacking energy: -574.140
Base-Backbone interact. energy: 1.658
local terms energy: -643.322547
where:
bonds (distance) C4'-P energy: -106.406
bonds (distance) P-C4' energy: -132.202
flat angles C4'-P-C4' energy: -155.734
flat angles P-C4'-P energy: -95.652
tors. eta vs tors. theta energy: -153.329
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1944.445580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.445580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.490925 (E_RNA)
where:
Base-Base interactions energy: -1330.058
where: short stacking energy: -536.380
Base-Backbone interact. energy: -0.983
local terms energy: -617.450410
where:
bonds (distance) C4'-P energy: -119.368
bonds (distance) P-C4' energy: -123.743
flat angles C4'-P-C4' energy: -137.657
flat angles P-C4'-P energy: -97.298
tors. eta vs tors. theta energy: -139.385
Dist. restrs. and SS energy: 4.045 (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: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1809.322649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.322649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.730533 (E_RNA)
where:
Base-Base interactions energy: -1220.490
where: short stacking energy: -499.698
Base-Backbone interact. energy: -1.629
local terms energy: -592.611406
where:
bonds (distance) C4'-P energy: -116.269
bonds (distance) P-C4' energy: -143.845
flat angles C4'-P-C4' energy: -139.074
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -120.660
Dist. restrs. and SS energy: 5.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2884.924629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.924629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.203335 (E_RNA)
where:
Base-Base interactions energy: -1996.042
where: short stacking energy: -843.755
Base-Backbone interact. energy: -1.341
local terms energy: -888.820301
where:
bonds (distance) C4'-P energy: -160.472
bonds (distance) P-C4' energy: -160.303
flat angles C4'-P-C4' energy: -196.088
flat angles P-C4'-P energy: -125.586
tors. eta vs tors. theta energy: -246.371
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2778.440904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.440904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.799777 (E_RNA)
where:
Base-Base interactions energy: -1942.297
where: short stacking energy: -786.243
Base-Backbone interact. energy: -3.527
local terms energy: -834.975626
where:
bonds (distance) C4'-P energy: -159.979
bonds (distance) P-C4' energy: -146.734
flat angles C4'-P-C4' energy: -176.363
flat angles P-C4'-P energy: -115.016
tors. eta vs tors. theta energy: -236.884
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: 3, replica: 4
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2669.316200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.316200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.879907 (E_RNA)
where:
Base-Base interactions energy: -1834.498
where: short stacking energy: -768.290
Base-Backbone interact. energy: -6.083
local terms energy: -830.299323
where:
bonds (distance) C4'-P energy: -169.650
bonds (distance) P-C4' energy: -166.025
flat angles C4'-P-C4' energy: -165.588
flat angles P-C4'-P energy: -119.092
tors. eta vs tors. theta energy: -209.944
Dist. restrs. and SS energy: 1.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2567.420990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.579262 (E_RNA)
where:
Base-Base interactions energy: -1763.007
where: short stacking energy: -737.510
Base-Backbone interact. energy: 0.712
local terms energy: -807.284281
where:
bonds (distance) C4'-P energy: -140.676
bonds (distance) P-C4' energy: -152.304
flat angles C4'-P-C4' energy: -177.652
flat angles P-C4'-P energy: -118.458
tors. eta vs tors. theta energy: -218.193
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: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2359.239793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.239793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.702545 (E_RNA)
where:
Base-Base interactions energy: -1587.622
where: short stacking energy: -700.428
Base-Backbone interact. energy: -2.163
local terms energy: -770.917558
where:
bonds (distance) C4'-P energy: -143.059
bonds (distance) P-C4' energy: -152.748
flat angles C4'-P-C4' energy: -176.273
flat angles P-C4'-P energy: -96.816
tors. eta vs tors. theta energy: -202.021
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: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2197.674414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.674414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.227091 (E_RNA)
where:
Base-Base interactions energy: -1469.143
where: short stacking energy: -669.127
Base-Backbone interact. energy: -1.637
local terms energy: -729.446683
where:
bonds (distance) C4'-P energy: -147.500
bonds (distance) P-C4' energy: -138.583
flat angles C4'-P-C4' energy: -164.091
flat angles P-C4'-P energy: -93.079
tors. eta vs tors. theta energy: -186.194
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: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2095.777806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.777806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.041369 (E_RNA)
where:
Base-Base interactions energy: -1407.664
where: short stacking energy: -596.715
Base-Backbone interact. energy: 1.745
local terms energy: -694.122620
where:
bonds (distance) C4'-P energy: -139.225
bonds (distance) P-C4' energy: -131.387
flat angles C4'-P-C4' energy: -161.379
flat angles P-C4'-P energy: -105.584
tors. eta vs tors. theta energy: -156.548
Dist. restrs. and SS energy: 4.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2018.748346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.748346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.605881 (E_RNA)
where:
Base-Base interactions energy: -1366.332
where: short stacking energy: -614.994
Base-Backbone interact. energy: -1.147
local terms energy: -654.126737
where:
bonds (distance) C4'-P energy: -111.547
bonds (distance) P-C4' energy: -138.400
flat angles C4'-P-C4' energy: -148.479
flat angles P-C4'-P energy: -85.994
tors. eta vs tors. theta energy: -169.707
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1943.914197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.914197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.961183 (E_RNA)
where:
Base-Base interactions energy: -1347.606
where: short stacking energy: -567.185
Base-Backbone interact. energy: 4.225
local terms energy: -604.580002
where:
bonds (distance) C4'-P energy: -101.319
bonds (distance) P-C4' energy: -127.457
flat angles C4'-P-C4' energy: -137.049
flat angles P-C4'-P energy: -86.354
tors. eta vs tors. theta energy: -152.402
Dist. restrs. and SS energy: 4.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1850.438489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.438489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.845712 (E_RNA)
where:
Base-Base interactions energy: -1243.337
where: short stacking energy: -516.440
Base-Backbone interact. energy: 0.271
local terms energy: -611.779707
where:
bonds (distance) C4'-P energy: -124.961
bonds (distance) P-C4' energy: -131.068
flat angles C4'-P-C4' energy: -131.008
flat angles P-C4'-P energy: -90.668
tors. eta vs tors. theta energy: -134.074
Dist. restrs. and SS energy: 4.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2883.569976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.569976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.766445 (E_RNA)
where:
Base-Base interactions energy: -1976.872
where: short stacking energy: -815.418
Base-Backbone interact. energy: -1.047
local terms energy: -907.846839
where:
bonds (distance) C4'-P energy: -171.359
bonds (distance) P-C4' energy: -168.721
flat angles C4'-P-C4' energy: -184.368
flat angles P-C4'-P energy: -131.950
tors. eta vs tors. theta energy: -251.449
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: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2759.112114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.112114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.209992 (E_RNA)
where:
Base-Base interactions energy: -1885.349
where: short stacking energy: -781.612
Base-Backbone interact. energy: -0.963
local terms energy: -873.897574
where:
bonds (distance) C4'-P energy: -159.059
bonds (distance) P-C4' energy: -165.147
flat angles C4'-P-C4' energy: -188.236
flat angles P-C4'-P energy: -125.628
tors. eta vs tors. theta energy: -235.827
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: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2692.143994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.143994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.437392 (E_RNA)
where:
Base-Base interactions energy: -1823.992
where: short stacking energy: -774.362
Base-Backbone interact. energy: -0.570
local terms energy: -869.874974
where:
bonds (distance) C4'-P energy: -154.900
bonds (distance) P-C4' energy: -167.715
flat angles C4'-P-C4' energy: -185.978
flat angles P-C4'-P energy: -120.863
tors. eta vs tors. theta energy: -240.418
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: 4, replica: 9
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2538.807789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.807789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.757670 (E_RNA)
where:
Base-Base interactions energy: -1777.421
where: short stacking energy: -748.230
Base-Backbone interact. energy: -4.281
local terms energy: -759.056076
where:
bonds (distance) C4'-P energy: -133.240
bonds (distance) P-C4' energy: -143.662
flat angles C4'-P-C4' energy: -159.868
flat angles P-C4'-P energy: -115.094
tors. eta vs tors. theta energy: -207.193
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: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2324.800907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.800907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.177430 (E_RNA)
where:
Base-Base interactions energy: -1535.857
where: short stacking energy: -661.644
Base-Backbone interact. energy: -1.136
local terms energy: -790.183758
where:
bonds (distance) C4'-P energy: -150.208
bonds (distance) P-C4' energy: -162.641
flat angles C4'-P-C4' energy: -162.947
flat angles P-C4'-P energy: -122.237
tors. eta vs tors. theta energy: -192.151
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: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2201.262225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.262225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.185390 (E_RNA)
where:
Base-Base interactions energy: -1462.893
where: short stacking energy: -615.961
Base-Backbone interact. energy: -1.819
local terms energy: -737.473959
where:
bonds (distance) C4'-P energy: -148.695
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -145.903
flat angles P-C4'-P energy: -108.315
tors. eta vs tors. theta energy: -184.098
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2071.987961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.987961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.708036 (E_RNA)
where:
Base-Base interactions energy: -1418.113
where: short stacking energy: -593.401
Base-Backbone interact. energy: -4.242
local terms energy: -651.352966
where:
bonds (distance) C4'-P energy: -125.785
bonds (distance) P-C4' energy: -144.254
flat angles C4'-P-C4' energy: -146.334
flat angles P-C4'-P energy: -86.387
tors. eta vs tors. theta energy: -148.594
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2029.525612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.525612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.685318 (E_RNA)
where:
Base-Base interactions energy: -1369.321
where: short stacking energy: -596.359
Base-Backbone interact. energy: -2.279
local terms energy: -660.085329
where:
bonds (distance) C4'-P energy: -131.285
bonds (distance) P-C4' energy: -128.025
flat angles C4'-P-C4' energy: -156.771
flat angles P-C4'-P energy: -84.876
tors. eta vs tors. theta energy: -159.129
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: 9, replica: 5
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1917.621733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.621733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.055518 (E_RNA)
where:
Base-Base interactions energy: -1297.025
where: short stacking energy: -549.797
Base-Backbone interact. energy: -1.202
local terms energy: -622.828472
where:
bonds (distance) C4'-P energy: -121.394
bonds (distance) P-C4' energy: -139.546
flat angles C4'-P-C4' energy: -151.189
flat angles P-C4'-P energy: -73.966
tors. eta vs tors. theta energy: -136.734
Dist. restrs. and SS energy: 3.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1874.135277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.135277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.420809 (E_RNA)
where:
Base-Base interactions energy: -1294.041
where: short stacking energy: -537.240
Base-Backbone interact. energy: -2.302
local terms energy: -582.077639
where:
bonds (distance) C4'-P energy: -121.129
bonds (distance) P-C4' energy: -114.455
flat angles C4'-P-C4' energy: -136.021
flat angles P-C4'-P energy: -75.056
tors. eta vs tors. theta energy: -135.418
Dist. restrs. and SS energy: 4.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2870.692765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.692765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.326722 (E_RNA)
where:
Base-Base interactions energy: -1996.705
where: short stacking energy: -839.872
Base-Backbone interact. energy: 2.982
local terms energy: -878.602967
where:
bonds (distance) C4'-P energy: -158.396
bonds (distance) P-C4' energy: -152.215
flat angles C4'-P-C4' energy: -192.379
flat angles P-C4'-P energy: -134.837
tors. eta vs tors. theta energy: -240.777
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: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2811.732367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.732367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.986915 (E_RNA)
where:
Base-Base interactions energy: -1965.526
where: short stacking energy: -795.457
Base-Backbone interact. energy: -1.352
local terms energy: -846.109173
where:
bonds (distance) C4'-P energy: -160.455
bonds (distance) P-C4' energy: -141.454
flat angles C4'-P-C4' energy: -181.654
flat angles P-C4'-P energy: -132.338
tors. eta vs tors. theta energy: -230.209
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: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2687.259170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.259170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.247467 (E_RNA)
where:
Base-Base interactions energy: -1877.902
where: short stacking energy: -792.452
Base-Backbone interact. energy: -1.310
local terms energy: -810.035972
where:
bonds (distance) C4'-P energy: -139.862
bonds (distance) P-C4' energy: -136.525
flat angles C4'-P-C4' energy: -171.157
flat angles P-C4'-P energy: -119.460
tors. eta vs tors. theta energy: -243.033
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2539.153251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.153251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.746601 (E_RNA)
where:
Base-Base interactions energy: -1755.968
where: short stacking energy: -741.244
Base-Backbone interact. energy: -0.991
local terms energy: -783.788028
where:
bonds (distance) C4'-P energy: -138.822
bonds (distance) P-C4' energy: -163.310
flat angles C4'-P-C4' energy: -167.025
flat angles P-C4'-P energy: -111.197
tors. eta vs tors. theta energy: -203.434
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2305.277007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.277007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.165728 (E_RNA)
where:
Base-Base interactions energy: -1568.531
where: short stacking energy: -647.067
Base-Backbone interact. energy: -1.939
local terms energy: -736.695614
where:
bonds (distance) C4'-P energy: -138.053
bonds (distance) P-C4' energy: -131.982
flat angles C4'-P-C4' energy: -172.435
flat angles P-C4'-P energy: -115.030
tors. eta vs tors. theta energy: -179.195
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2182.975080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.216110 (E_RNA)
where:
Base-Base interactions energy: -1482.478
where: short stacking energy: -617.843
Base-Backbone interact. energy: 0.645
local terms energy: -703.383489
where:
bonds (distance) C4'-P energy: -130.344
bonds (distance) P-C4' energy: -143.592
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -96.090
tors. eta vs tors. theta energy: -174.431
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2098.584765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.584765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.279175 (E_RNA)
where:
Base-Base interactions energy: -1404.051
where: short stacking energy: -580.332
Base-Backbone interact. energy: 4.158
local terms energy: -700.386175
where:
bonds (distance) C4'-P energy: -129.954
bonds (distance) P-C4' energy: -155.845
flat angles C4'-P-C4' energy: -142.717
flat angles P-C4'-P energy: -118.384
tors. eta vs tors. theta energy: -153.486
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2018.747603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.747603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.928987 (E_RNA)
where:
Base-Base interactions energy: -1383.844
where: short stacking energy: -594.646
Base-Backbone interact. energy: -2.936
local terms energy: -635.148979
where:
bonds (distance) C4'-P energy: -126.715
bonds (distance) P-C4' energy: -128.776
flat angles C4'-P-C4' energy: -138.433
flat angles P-C4'-P energy: -86.287
tors. eta vs tors. theta energy: -154.938
Dist. restrs. and SS energy: 3.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1920.789662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.789662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.832715 (E_RNA)
where:
Base-Base interactions energy: -1299.325
where: short stacking energy: -555.834
Base-Backbone interact. energy: -0.698
local terms energy: -628.810117
where:
bonds (distance) C4'-P energy: -142.571
bonds (distance) P-C4' energy: -117.560
flat angles C4'-P-C4' energy: -143.043
flat angles P-C4'-P energy: -81.907
tors. eta vs tors. theta energy: -143.729
Dist. restrs. and SS energy: 8.043 (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: 318
Temperature: 1.350000
Total energy: -1920.520566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.520566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.505833 (E_RNA)
where:
Base-Base interactions energy: -1325.950
where: short stacking energy: -559.244
Base-Backbone interact. energy: -1.243
local terms energy: -596.312409
where:
bonds (distance) C4'-P energy: -138.982
bonds (distance) P-C4' energy: -93.118
flat angles C4'-P-C4' energy: -144.347
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -140.908
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2854.539904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.539904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.900773 (E_RNA)
where:
Base-Base interactions energy: -1982.957
where: short stacking energy: -820.563
Base-Backbone interact. energy: 7.565
local terms energy: -880.508386
where:
bonds (distance) C4'-P energy: -165.468
bonds (distance) P-C4' energy: -172.328
flat angles C4'-P-C4' energy: -174.829
flat angles P-C4'-P energy: -122.734
tors. eta vs tors. theta energy: -245.149
Dist. restrs. and SS energy: 1.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2782.774334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.774334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.815107 (E_RNA)
where:
Base-Base interactions energy: -1947.062
where: short stacking energy: -802.618
Base-Backbone interact. energy: -1.815
local terms energy: -835.938523
where:
bonds (distance) C4'-P energy: -164.506
bonds (distance) P-C4' energy: -159.827
flat angles C4'-P-C4' energy: -179.084
flat angles P-C4'-P energy: -109.470
tors. eta vs tors. theta energy: -223.051
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2670.025764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.025764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.969737 (E_RNA)
where:
Base-Base interactions energy: -1873.246
where: short stacking energy: -793.577
Base-Backbone interact. energy: -4.011
local terms energy: -794.713651
where:
bonds (distance) C4'-P energy: -138.373
bonds (distance) P-C4' energy: -135.405
flat angles C4'-P-C4' energy: -174.039
flat angles P-C4'-P energy: -118.216
tors. eta vs tors. theta energy: -228.680
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2542.805290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.805290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.732412 (E_RNA)
where:
Base-Base interactions energy: -1766.104
where: short stacking energy: -747.904
Base-Backbone interact. energy: -1.154
local terms energy: -777.474477
where:
bonds (distance) C4'-P energy: -139.502
bonds (distance) P-C4' energy: -142.039
flat angles C4'-P-C4' energy: -169.636
flat angles P-C4'-P energy: -112.642
tors. eta vs tors. theta energy: -213.656
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2270.733416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.733416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.164454 (E_RNA)
where:
Base-Base interactions energy: -1532.775
where: short stacking energy: -644.236
Base-Backbone interact. energy: -1.498
local terms energy: -738.890921
where:
bonds (distance) C4'-P energy: -147.918
bonds (distance) P-C4' energy: -166.043
flat angles C4'-P-C4' energy: -154.446
flat angles P-C4'-P energy: -93.146
tors. eta vs tors. theta energy: -177.338
Dist. restrs. and SS energy: 2.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2151.491833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.491833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.049809 (E_RNA)
where:
Base-Base interactions energy: -1457.672
where: short stacking energy: -665.976
Base-Backbone interact. energy: 3.456
local terms energy: -698.833137
where:
bonds (distance) C4'-P energy: -127.986
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -164.196
flat angles P-C4'-P energy: -93.865
tors. eta vs tors. theta energy: -174.335
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2076.689604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.689604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.289048 (E_RNA)
where:
Base-Base interactions energy: -1371.596
where: short stacking energy: -624.247
Base-Backbone interact. energy: -2.563
local terms energy: -706.130127
where:
bonds (distance) C4'-P energy: -143.325
bonds (distance) P-C4' energy: -151.304
flat angles C4'-P-C4' energy: -155.727
flat angles P-C4'-P energy: -96.096
tors. eta vs tors. theta energy: -159.679
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: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2016.988287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.988287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.091821 (E_RNA)
where:
Base-Base interactions energy: -1359.411
where: short stacking energy: -576.361
Base-Backbone interact. energy: 1.891
local terms energy: -662.572382
where:
bonds (distance) C4'-P energy: -130.276
bonds (distance) P-C4' energy: -144.217
flat angles C4'-P-C4' energy: -156.497
flat angles P-C4'-P energy: -89.486
tors. eta vs tors. theta energy: -142.096
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: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1921.271966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.271966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.229008 (E_RNA)
where:
Base-Base interactions energy: -1294.030
where: short stacking energy: -555.779
Base-Backbone interact. energy: 8.818
local terms energy: -638.017160
where:
bonds (distance) C4'-P energy: -110.974
bonds (distance) P-C4' energy: -139.517
flat angles C4'-P-C4' energy: -145.639
flat angles P-C4'-P energy: -91.165
tors. eta vs tors. theta energy: -150.722
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: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1854.119300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.119300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.172469 (E_RNA)
where:
Base-Base interactions energy: -1293.886
where: short stacking energy: -564.816
Base-Backbone interact. energy: -1.303
local terms energy: -563.982792
where:
bonds (distance) C4'-P energy: -118.377
bonds (distance) P-C4' energy: -117.705
flat angles C4'-P-C4' energy: -126.503
flat angles P-C4'-P energy: -70.126
tors. eta vs tors. theta energy: -131.272
Dist. restrs. and SS energy: 5.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2926.153416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.153416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.267519 (E_RNA)
where:
Base-Base interactions energy: -2032.318
where: short stacking energy: -854.944
Base-Backbone interact. energy: -1.220
local terms energy: -894.729422
where:
bonds (distance) C4'-P energy: -165.226
bonds (distance) P-C4' energy: -155.920
flat angles C4'-P-C4' energy: -179.273
flat angles P-C4'-P energy: -135.291
tors. eta vs tors. theta energy: -259.020
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: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2808.442178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.442178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.812776 (E_RNA)
where:
Base-Base interactions energy: -1943.010
where: short stacking energy: -809.651
Base-Backbone interact. energy: 0.802
local terms energy: -867.605038
where:
bonds (distance) C4'-P energy: -162.543
bonds (distance) P-C4' energy: -162.309
flat angles C4'-P-C4' energy: -187.317
flat angles P-C4'-P energy: -118.792
tors. eta vs tors. theta energy: -236.644
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2694.654565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.654565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.111953 (E_RNA)
where:
Base-Base interactions energy: -1855.085
where: short stacking energy: -789.092
Base-Backbone interact. energy: -1.962
local terms energy: -839.065754
where:
bonds (distance) C4'-P energy: -154.542
bonds (distance) P-C4' energy: -163.251
flat angles C4'-P-C4' energy: -175.810
flat angles P-C4'-P energy: -113.155
tors. eta vs tors. theta energy: -232.307
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: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2596.646639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.646639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.103488 (E_RNA)
where:
Base-Base interactions energy: -1796.378
where: short stacking energy: -766.960
Base-Backbone interact. energy: -1.594
local terms energy: -800.131648
where:
bonds (distance) C4'-P energy: -134.960
bonds (distance) P-C4' energy: -150.461
flat angles C4'-P-C4' energy: -174.870
flat angles P-C4'-P energy: -113.775
tors. eta vs tors. theta energy: -226.065
Dist. restrs. and SS energy: 1.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2327.000156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.000156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.740226 (E_RNA)
where:
Base-Base interactions energy: -1579.053
where: short stacking energy: -664.612
Base-Backbone interact. energy: -1.246
local terms energy: -748.441155
where:
bonds (distance) C4'-P energy: -130.898
bonds (distance) P-C4' energy: -163.528
flat angles C4'-P-C4' energy: -164.242
flat angles P-C4'-P energy: -111.174
tors. eta vs tors. theta energy: -178.599
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: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2191.488458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.488458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.953977 (E_RNA)
where:
Base-Base interactions energy: -1487.958
where: short stacking energy: -643.695
Base-Backbone interact. energy: -1.896
local terms energy: -706.099596
where:
bonds (distance) C4'-P energy: -127.863
bonds (distance) P-C4' energy: -135.059
flat angles C4'-P-C4' energy: -169.351
flat angles P-C4'-P energy: -107.818
tors. eta vs tors. theta energy: -166.008
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: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2100.283418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.283418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.790654 (E_RNA)
where:
Base-Base interactions energy: -1417.368
where: short stacking energy: -599.027
Base-Backbone interact. energy: 6.243
local terms energy: -690.665158
where:
bonds (distance) C4'-P energy: -133.958
bonds (distance) P-C4' energy: -128.380
flat angles C4'-P-C4' energy: -151.319
flat angles P-C4'-P energy: -109.490
tors. eta vs tors. theta energy: -167.519
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: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2039.799969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.799969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.141857 (E_RNA)
where:
Base-Base interactions energy: -1395.211
where: short stacking energy: -597.232
Base-Backbone interact. energy: 0.210
local terms energy: -648.140346
where:
bonds (distance) C4'-P energy: -124.057
bonds (distance) P-C4' energy: -136.448
flat angles C4'-P-C4' energy: -137.551
flat angles P-C4'-P energy: -100.642
tors. eta vs tors. theta energy: -149.443
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1975.014162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.014162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.888682 (E_RNA)
where:
Base-Base interactions energy: -1344.677
where: short stacking energy: -553.832
Base-Backbone interact. energy: -3.240
local terms energy: -629.971118
where:
bonds (distance) C4'-P energy: -133.189
bonds (distance) P-C4' energy: -136.377
flat angles C4'-P-C4' energy: -129.923
flat angles P-C4'-P energy: -79.265
tors. eta vs tors. theta energy: -151.218
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: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1879.550190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.550190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.449514 (E_RNA)
where:
Base-Base interactions energy: -1301.142
where: short stacking energy: -561.241
Base-Backbone interact. energy: 1.731
local terms energy: -583.038274
where:
bonds (distance) C4'-P energy: -109.096
bonds (distance) P-C4' energy: -108.372
flat angles C4'-P-C4' energy: -131.928
flat angles P-C4'-P energy: -80.001
tors. eta vs tors. theta energy: -153.642
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: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2914.931245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.931245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.807934 (E_RNA)
where:
Base-Base interactions energy: -2004.290
where: short stacking energy: -848.458
Base-Backbone interact. energy: -1.349
local terms energy: -911.169166
where:
bonds (distance) C4'-P energy: -155.405
bonds (distance) P-C4' energy: -162.496
flat angles C4'-P-C4' energy: -194.423
flat angles P-C4'-P energy: -134.835
tors. eta vs tors. theta energy: -264.010
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: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2788.436619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.436619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.041039 (E_RNA)
where:
Base-Base interactions energy: -1911.077
where: short stacking energy: -799.080
Base-Backbone interact. energy: -6.280
local terms energy: -872.684316
where:
bonds (distance) C4'-P energy: -164.599
bonds (distance) P-C4' energy: -161.320
flat angles C4'-P-C4' energy: -173.680
flat angles P-C4'-P energy: -129.270
tors. eta vs tors. theta energy: -243.815
Dist. restrs. and SS energy: 1.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2709.515426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.515426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.999930 (E_RNA)
where:
Base-Base interactions energy: -1880.135
where: short stacking energy: -806.406
Base-Backbone interact. energy: -3.690
local terms energy: -829.174308
where:
bonds (distance) C4'-P energy: -138.731
bonds (distance) P-C4' energy: -145.177
flat angles C4'-P-C4' energy: -186.903
flat angles P-C4'-P energy: -122.082
tors. eta vs tors. theta energy: -236.281
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: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2568.941507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.941507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.591497 (E_RNA)
where:
Base-Base interactions energy: -1797.731
where: short stacking energy: -764.389
Base-Backbone interact. energy: -1.774
local terms energy: -771.086814
where:
bonds (distance) C4'-P energy: -147.410
bonds (distance) P-C4' energy: -150.716
flat angles C4'-P-C4' energy: -164.250
flat angles P-C4'-P energy: -101.019
tors. eta vs tors. theta energy: -207.692
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2331.130818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.130818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.409321 (E_RNA)
where:
Base-Base interactions energy: -1579.437
where: short stacking energy: -691.792
Base-Backbone interact. energy: -4.938
local terms energy: -749.034215
where:
bonds (distance) C4'-P energy: -143.352
bonds (distance) P-C4' energy: -137.016
flat angles C4'-P-C4' energy: -170.536
flat angles P-C4'-P energy: -111.930
tors. eta vs tors. theta energy: -186.199
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: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2159.607716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.607716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.076115 (E_RNA)
where:
Base-Base interactions energy: -1464.975
where: short stacking energy: -640.542
Base-Backbone interact. energy: -1.366
local terms energy: -695.734739
where:
bonds (distance) C4'-P energy: -138.179
bonds (distance) P-C4' energy: -145.114
flat angles C4'-P-C4' energy: -147.026
flat angles P-C4'-P energy: -94.141
tors. eta vs tors. theta energy: -171.276
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2119.646057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.646057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.522647 (E_RNA)
where:
Base-Base interactions energy: -1444.642
where: short stacking energy: -620.980
Base-Backbone interact. energy: -0.366
local terms energy: -676.514464
where:
bonds (distance) C4'-P energy: -113.912
bonds (distance) P-C4' energy: -139.853
flat angles C4'-P-C4' energy: -169.404
flat angles P-C4'-P energy: -85.040
tors. eta vs tors. theta energy: -168.306
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: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2004.676819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.676819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.292386 (E_RNA)
where:
Base-Base interactions energy: -1397.079
where: short stacking energy: -577.792
Base-Backbone interact. energy: 0.909
local terms energy: -611.123068
where:
bonds (distance) C4'-P energy: -109.213
bonds (distance) P-C4' energy: -119.695
flat angles C4'-P-C4' energy: -146.064
flat angles P-C4'-P energy: -88.986
tors. eta vs tors. theta energy: -147.164
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1917.404440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.404440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.400113 (E_RNA)
where:
Base-Base interactions energy: -1323.398
where: short stacking energy: -553.737
Base-Backbone interact. energy: -1.698
local terms energy: -595.304090
where:
bonds (distance) C4'-P energy: -110.469
bonds (distance) P-C4' energy: -128.607
flat angles C4'-P-C4' energy: -128.251
flat angles P-C4'-P energy: -75.379
tors. eta vs tors. theta energy: -152.598
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: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1854.967907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.967907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.148775 (E_RNA)
where:
Base-Base interactions energy: -1278.524
where: short stacking energy: -521.464
Base-Backbone interact. energy: 0.587
local terms energy: -579.211265
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -119.716
flat angles C4'-P-C4' energy: -145.322
flat angles P-C4'-P energy: -88.865
tors. eta vs tors. theta energy: -109.998
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: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2899.010187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.010187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.129036 (E_RNA)
where:
Base-Base interactions energy: -2002.757
where: short stacking energy: -851.161
Base-Backbone interact. energy: -2.139
local terms energy: -895.233282
where:
bonds (distance) C4'-P energy: -171.064
bonds (distance) P-C4' energy: -155.968
flat angles C4'-P-C4' energy: -188.025
flat angles P-C4'-P energy: -129.045
tors. eta vs tors. theta energy: -251.132
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: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2814.729102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.729102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.486865 (E_RNA)
where:
Base-Base interactions energy: -1941.414
where: short stacking energy: -825.477
Base-Backbone interact. energy: -0.357
local terms energy: -874.715628
where:
bonds (distance) C4'-P energy: -156.436
bonds (distance) P-C4' energy: -167.406
flat angles C4'-P-C4' energy: -179.318
flat angles P-C4'-P energy: -126.958
tors. eta vs tors. theta energy: -244.597
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: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2700.719954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.719954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.621355 (E_RNA)
where:
Base-Base interactions energy: -1861.412
where: short stacking energy: -751.962
Base-Backbone interact. energy: -3.129
local terms energy: -839.079940
where:
bonds (distance) C4'-P energy: -162.162
bonds (distance) P-C4' energy: -154.288
flat angles C4'-P-C4' energy: -178.072
flat angles P-C4'-P energy: -128.607
tors. eta vs tors. theta energy: -215.951
Dist. restrs. and SS energy: 2.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2590.700746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.700746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.566337 (E_RNA)
where:
Base-Base interactions energy: -1803.370
where: short stacking energy: -746.786
Base-Backbone interact. energy: -1.618
local terms energy: -788.578376
where:
bonds (distance) C4'-P energy: -152.268
bonds (distance) P-C4' energy: -154.308
flat angles C4'-P-C4' energy: -167.497
flat angles P-C4'-P energy: -111.891
tors. eta vs tors. theta energy: -202.615
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2338.266007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.266007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.631734 (E_RNA)
where:
Base-Base interactions energy: -1580.624
where: short stacking energy: -694.398
Base-Backbone interact. energy: 2.771
local terms energy: -761.779334
where:
bonds (distance) C4'-P energy: -136.554
bonds (distance) P-C4' energy: -147.802
flat angles C4'-P-C4' energy: -182.151
flat angles P-C4'-P energy: -107.043
tors. eta vs tors. theta energy: -188.229
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2157.490865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.490865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.817921 (E_RNA)
where:
Base-Base interactions energy: -1419.835
where: short stacking energy: -616.084
Base-Backbone interact. energy: -1.916
local terms energy: -738.067430
where:
bonds (distance) C4'-P energy: -149.934
bonds (distance) P-C4' energy: -142.984
flat angles C4'-P-C4' energy: -152.933
flat angles P-C4'-P energy: -102.360
tors. eta vs tors. theta energy: -189.856
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2076.216424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.216424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.520870 (E_RNA)
where:
Base-Base interactions energy: -1409.778
where: short stacking energy: -608.373
Base-Backbone interact. energy: 0.560
local terms energy: -669.303848
where:
bonds (distance) C4'-P energy: -137.695
bonds (distance) P-C4' energy: -123.562
flat angles C4'-P-C4' energy: -156.381
flat angles P-C4'-P energy: -91.775
tors. eta vs tors. theta energy: -159.890
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: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2036.244297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.244297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.331207 (E_RNA)
where:
Base-Base interactions energy: -1396.878
where: short stacking energy: -592.339
Base-Backbone interact. energy: 3.113
local terms energy: -644.566571
where:
bonds (distance) C4'-P energy: -109.449
bonds (distance) P-C4' energy: -143.300
flat angles C4'-P-C4' energy: -134.965
flat angles P-C4'-P energy: -103.766
tors. eta vs tors. theta energy: -153.086
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1952.336299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.336299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.006624 (E_RNA)
where:
Base-Base interactions energy: -1335.992
where: short stacking energy: -567.763
Base-Backbone interact. energy: -2.485
local terms energy: -615.529467
where:
bonds (distance) C4'-P energy: -112.649
bonds (distance) P-C4' energy: -132.267
flat angles C4'-P-C4' energy: -148.055
flat angles P-C4'-P energy: -70.820
tors. eta vs tors. theta energy: -151.739
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: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1875.395222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.395222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.063826 (E_RNA)
where:
Base-Base interactions energy: -1297.202
where: short stacking energy: -539.065
Base-Backbone interact. energy: 0.696
local terms energy: -581.557742
where:
bonds (distance) C4'-P energy: -122.752
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -76.215
tors. eta vs tors. theta energy: -121.125
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2897.984893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.984893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.692240 (E_RNA)
where:
Base-Base interactions energy: -2026.092
where: short stacking energy: -872.090
Base-Backbone interact. energy: 2.850
local terms energy: -876.450288
where:
bonds (distance) C4'-P energy: -139.895
bonds (distance) P-C4' energy: -161.126
flat angles C4'-P-C4' energy: -190.150
flat angles P-C4'-P energy: -129.169
tors. eta vs tors. theta energy: -256.111
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2772.242198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.242198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.718993 (E_RNA)
where:
Base-Base interactions energy: -1910.031
where: short stacking energy: -791.165
Base-Backbone interact. energy: -3.919
local terms energy: -860.769453
where:
bonds (distance) C4'-P energy: -165.939
bonds (distance) P-C4' energy: -150.711
flat angles C4'-P-C4' energy: -186.238
flat angles P-C4'-P energy: -125.566
tors. eta vs tors. theta energy: -232.316
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: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2652.835790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.835790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.656967 (E_RNA)
where:
Base-Base interactions energy: -1825.128
where: short stacking energy: -749.441
Base-Backbone interact. energy: 1.421
local terms energy: -829.949092
where:
bonds (distance) C4'-P energy: -156.674
bonds (distance) P-C4' energy: -140.961
flat angles C4'-P-C4' energy: -190.244
flat angles P-C4'-P energy: -120.426
tors. eta vs tors. theta energy: -221.645
Dist. restrs. and SS energy: 0.821 (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: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2577.829016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.829016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.302310 (E_RNA)
where:
Base-Base interactions energy: -1781.140
where: short stacking energy: -756.267
Base-Backbone interact. energy: -2.514
local terms energy: -796.648475
where:
bonds (distance) C4'-P energy: -139.439
bonds (distance) P-C4' energy: -150.065
flat angles C4'-P-C4' energy: -169.867
flat angles P-C4'-P energy: -121.795
tors. eta vs tors. theta energy: -215.483
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: 323
Temperature: 1.100000
Total energy: -2394.052408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.052408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.880159 (E_RNA)
where:
Base-Base interactions energy: -1638.587
where: short stacking energy: -709.328
Base-Backbone interact. energy: -1.795
local terms energy: -755.497964
where:
bonds (distance) C4'-P energy: -137.851
bonds (distance) P-C4' energy: -135.369
flat angles C4'-P-C4' energy: -176.629
flat angles P-C4'-P energy: -106.524
tors. eta vs tors. theta energy: -199.125
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2141.049493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.049493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.837772 (E_RNA)
where:
Base-Base interactions energy: -1446.606
where: short stacking energy: -634.088
Base-Backbone interact. energy: -2.073
local terms energy: -695.157979
where:
bonds (distance) C4'-P energy: -128.289
bonds (distance) P-C4' energy: -136.875
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -103.081
tors. eta vs tors. theta energy: -169.728
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2124.562878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.562878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.662960 (E_RNA)
where:
Base-Base interactions energy: -1424.457
where: short stacking energy: -619.010
Base-Backbone interact. energy: -2.305
local terms energy: -699.901744
where:
bonds (distance) C4'-P energy: -160.167
bonds (distance) P-C4' energy: -121.927
flat angles C4'-P-C4' energy: -148.472
flat angles P-C4'-P energy: -96.029
tors. eta vs tors. theta energy: -173.308
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: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2018.398467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.398467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.765090 (E_RNA)
where:
Base-Base interactions energy: -1355.010
where: short stacking energy: -561.538
Base-Backbone interact. energy: 3.200
local terms energy: -669.955546
where:
bonds (distance) C4'-P energy: -148.221
bonds (distance) P-C4' energy: -148.806
flat angles C4'-P-C4' energy: -141.495
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -153.291
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: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1945.534226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.534226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.612159 (E_RNA)
where:
Base-Base interactions energy: -1317.587
where: short stacking energy: -553.608
Base-Backbone interact. energy: 4.014
local terms energy: -636.038605
where:
bonds (distance) C4'-P energy: -144.067
bonds (distance) P-C4' energy: -120.998
flat angles C4'-P-C4' energy: -139.316
flat angles P-C4'-P energy: -96.292
tors. eta vs tors. theta energy: -135.365
Dist. restrs. and SS energy: 4.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1832.294517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.814587 (E_RNA)
where:
Base-Base interactions energy: -1243.297
where: short stacking energy: -524.454
Base-Backbone interact. energy: 3.948
local terms energy: -597.465839
where:
bonds (distance) C4'-P energy: -83.683
bonds (distance) P-C4' energy: -154.322
flat angles C4'-P-C4' energy: -151.525
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -120.744
Dist. restrs. and SS energy: 4.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2889.755394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.755394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.945380 (E_RNA)
where:
Base-Base interactions energy: -2019.543
where: short stacking energy: -860.293
Base-Backbone interact. energy: 2.798
local terms energy: -876.199775
where:
bonds (distance) C4'-P energy: -146.961
bonds (distance) P-C4' energy: -173.528
flat angles C4'-P-C4' energy: -186.151
flat angles P-C4'-P energy: -118.099
tors. eta vs tors. theta energy: -251.461
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: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2824.917912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.917912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.326016 (E_RNA)
where:
Base-Base interactions energy: -1956.929
where: short stacking energy: -815.747
Base-Backbone interact. energy: -3.427
local terms energy: -867.970568
where:
bonds (distance) C4'-P energy: -149.998
bonds (distance) P-C4' energy: -165.777
flat angles C4'-P-C4' energy: -186.170
flat angles P-C4'-P energy: -124.096
tors. eta vs tors. theta energy: -241.929
Dist. restrs. and SS energy: 3.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2650.276007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.276007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.543175 (E_RNA)
where:
Base-Base interactions energy: -1839.686
where: short stacking energy: -760.800
Base-Backbone interact. energy: -1.727
local terms energy: -810.129731
where:
bonds (distance) C4'-P energy: -137.496
bonds (distance) P-C4' energy: -168.177
flat angles C4'-P-C4' energy: -171.756
flat angles P-C4'-P energy: -107.515
tors. eta vs tors. theta energy: -225.186
Dist. restrs. and SS energy: 1.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2584.233017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.233017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.424566 (E_RNA)
where:
Base-Base interactions energy: -1794.749
where: short stacking energy: -755.838
Base-Backbone interact. energy: -2.910
local terms energy: -788.764911
where:
bonds (distance) C4'-P energy: -144.658
bonds (distance) P-C4' energy: -143.028
flat angles C4'-P-C4' energy: -167.423
flat angles P-C4'-P energy: -120.681
tors. eta vs tors. theta energy: -212.976
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2316.301317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.301317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.421875 (E_RNA)
where:
Base-Base interactions energy: -1553.096
where: short stacking energy: -668.994
Base-Backbone interact. energy: 1.593
local terms energy: -766.918880
where:
bonds (distance) C4'-P energy: -139.422
bonds (distance) P-C4' energy: -143.318
flat angles C4'-P-C4' energy: -174.303
flat angles P-C4'-P energy: -110.376
tors. eta vs tors. theta energy: -199.499
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: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2160.144990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.144990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.695357 (E_RNA)
where:
Base-Base interactions energy: -1466.021
where: short stacking energy: -642.930
Base-Backbone interact. energy: -5.837
local terms energy: -691.837055
where:
bonds (distance) C4'-P energy: -133.545
bonds (distance) P-C4' energy: -151.180
flat angles C4'-P-C4' energy: -164.700
flat angles P-C4'-P energy: -91.173
tors. eta vs tors. theta energy: -151.239
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2088.601138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.601138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.491113 (E_RNA)
where:
Base-Base interactions energy: -1427.735
where: short stacking energy: -596.366
Base-Backbone interact. energy: 1.354
local terms energy: -665.110150
where:
bonds (distance) C4'-P energy: -133.933
bonds (distance) P-C4' energy: -148.450
flat angles C4'-P-C4' energy: -133.987
flat angles P-C4'-P energy: -101.804
tors. eta vs tors. theta energy: -146.936
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2016.098069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.098069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.581276 (E_RNA)
where:
Base-Base interactions energy: -1395.583
where: short stacking energy: -577.646
Base-Backbone interact. energy: 0.164
local terms energy: -623.162099
where:
bonds (distance) C4'-P energy: -116.413
bonds (distance) P-C4' energy: -120.943
flat angles C4'-P-C4' energy: -152.437
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -149.345
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1951.640978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.640978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.104631 (E_RNA)
where:
Base-Base interactions energy: -1337.882
where: short stacking energy: -565.811
Base-Backbone interact. energy: -3.249
local terms energy: -612.973657
where:
bonds (distance) C4'-P energy: -104.894
bonds (distance) P-C4' energy: -140.436
flat angles C4'-P-C4' energy: -132.577
flat angles P-C4'-P energy: -101.440
tors. eta vs tors. theta energy: -133.626
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1882.957921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.957921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.586344 (E_RNA)
where:
Base-Base interactions energy: -1283.053
where: short stacking energy: -537.775
Base-Backbone interact. energy: -4.893
local terms energy: -599.640571
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -144.270
flat angles C4'-P-C4' energy: -133.675
flat angles P-C4'-P energy: -80.162
tors. eta vs tors. theta energy: -127.099
Dist. restrs. and SS energy: 4.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2904.252595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.252595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.783409 (E_RNA)
where:
Base-Base interactions energy: -2023.160
where: short stacking energy: -854.445
Base-Backbone interact. energy: 2.618
local terms energy: -886.242080
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -149.238
flat angles C4'-P-C4' energy: -196.398
flat angles P-C4'-P energy: -136.977
tors. eta vs tors. theta energy: -256.338
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: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2808.013729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.013729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.060978 (E_RNA)
where:
Base-Base interactions energy: -1950.794
where: short stacking energy: -822.706
Base-Backbone interact. energy: -3.163
local terms energy: -857.103298
where:
bonds (distance) C4'-P energy: -159.060
bonds (distance) P-C4' energy: -166.019
flat angles C4'-P-C4' energy: -189.090
flat angles P-C4'-P energy: -118.416
tors. eta vs tors. theta energy: -224.518
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: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2633.584052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.584052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.766128 (E_RNA)
where:
Base-Base interactions energy: -1821.352
where: short stacking energy: -776.660
Base-Backbone interact. energy: -7.191
local terms energy: -807.223457
where:
bonds (distance) C4'-P energy: -148.784
bonds (distance) P-C4' energy: -157.034
flat angles C4'-P-C4' energy: -172.989
flat angles P-C4'-P energy: -110.195
tors. eta vs tors. theta energy: -218.221
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: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2604.585394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.585394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.534550 (E_RNA)
where:
Base-Base interactions energy: -1798.921
where: short stacking energy: -741.918
Base-Backbone interact. energy: -2.720
local terms energy: -805.894237
where:
bonds (distance) C4'-P energy: -148.756
bonds (distance) P-C4' energy: -153.542
flat angles C4'-P-C4' energy: -177.559
flat angles P-C4'-P energy: -113.269
tors. eta vs tors. theta energy: -212.768
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2348.521338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.521338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.063292 (E_RNA)
where:
Base-Base interactions energy: -1589.348
where: short stacking energy: -699.811
Base-Backbone interact. energy: 0.283
local terms energy: -761.999223
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -170.218
flat angles P-C4'-P energy: -110.925
tors. eta vs tors. theta energy: -205.741
Dist. restrs. and SS energy: 2.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2172.685152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.685152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.978317 (E_RNA)
where:
Base-Base interactions energy: -1495.219
where: short stacking energy: -649.350
Base-Backbone interact. energy: -3.012
local terms energy: -677.747504
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -128.582
flat angles C4'-P-C4' energy: -155.006
flat angles P-C4'-P energy: -103.799
tors. eta vs tors. theta energy: -175.825
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: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2118.333543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.333543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.571250 (E_RNA)
where:
Base-Base interactions energy: -1483.491
where: short stacking energy: -607.343
Base-Backbone interact. energy: 6.189
local terms energy: -643.269758
where:
bonds (distance) C4'-P energy: -133.836
bonds (distance) P-C4' energy: -114.434
flat angles C4'-P-C4' energy: -148.361
flat angles P-C4'-P energy: -93.992
tors. eta vs tors. theta energy: -152.647
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: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2017.527478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.527478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.191188 (E_RNA)
where:
Base-Base interactions energy: -1374.693
where: short stacking energy: -577.554
Base-Backbone interact. energy: 4.267
local terms energy: -648.765237
where:
bonds (distance) C4'-P energy: -130.690
bonds (distance) P-C4' energy: -127.182
flat angles C4'-P-C4' energy: -148.906
flat angles P-C4'-P energy: -86.885
tors. eta vs tors. theta energy: -155.103
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: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1909.732001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.732001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.054612 (E_RNA)
where:
Base-Base interactions energy: -1312.185
where: short stacking energy: -514.840
Base-Backbone interact. energy: -1.738
local terms energy: -598.131261
where:
bonds (distance) C4'-P energy: -121.952
bonds (distance) P-C4' energy: -111.337
flat angles C4'-P-C4' energy: -138.999
flat angles P-C4'-P energy: -79.659
tors. eta vs tors. theta energy: -146.184
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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1864.687190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.687190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.621722 (E_RNA)
where:
Base-Base interactions energy: -1279.470
where: short stacking energy: -519.812
Base-Backbone interact. energy: 4.356
local terms energy: -591.507385
where:
bonds (distance) C4'-P energy: -132.997
bonds (distance) P-C4' energy: -118.130
flat angles C4'-P-C4' energy: -134.254
flat angles P-C4'-P energy: -84.531
tors. eta vs tors. theta energy: -121.594
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: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2896.199655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.199655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.332340 (E_RNA)
where:
Base-Base interactions energy: -2000.782
where: short stacking energy: -874.156
Base-Backbone interact. energy: -0.516
local terms energy: -898.033883
where:
bonds (distance) C4'-P energy: -174.722
bonds (distance) P-C4' energy: -156.610
flat angles C4'-P-C4' energy: -188.899
flat angles P-C4'-P energy: -124.249
tors. eta vs tors. theta energy: -253.555
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2766.183155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.183155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.272243 (E_RNA)
where:
Base-Base interactions energy: -1915.574
where: short stacking energy: -796.221
Base-Backbone interact. energy: 0.749
local terms energy: -854.446408
where:
bonds (distance) C4'-P energy: -162.914
bonds (distance) P-C4' energy: -154.327
flat angles C4'-P-C4' energy: -186.488
flat angles P-C4'-P energy: -122.103
tors. eta vs tors. theta energy: -228.614
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: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2709.394697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.394697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.255694 (E_RNA)
where:
Base-Base interactions energy: -1863.413
where: short stacking energy: -767.905
Base-Backbone interact. energy: -2.045
local terms energy: -846.798131
where:
bonds (distance) C4'-P energy: -154.503
bonds (distance) P-C4' energy: -165.398
flat angles C4'-P-C4' energy: -187.433
flat angles P-C4'-P energy: -116.906
tors. eta vs tors. theta energy: -222.558
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2643.878821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.878821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.795865 (E_RNA)
where:
Base-Base interactions energy: -1841.698
where: short stacking energy: -768.496
Base-Backbone interact. energy: -1.637
local terms energy: -802.461072
where:
bonds (distance) C4'-P energy: -148.439
bonds (distance) P-C4' energy: -147.445
flat angles C4'-P-C4' energy: -173.060
flat angles P-C4'-P energy: -106.087
tors. eta vs tors. theta energy: -227.430
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: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2311.175528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.175528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.776082 (E_RNA)
where:
Base-Base interactions energy: -1571.663
where: short stacking energy: -682.156
Base-Backbone interact. energy: -1.538
local terms energy: -739.574290
where:
bonds (distance) C4'-P energy: -142.409
bonds (distance) P-C4' energy: -149.086
flat angles C4'-P-C4' energy: -165.467
flat angles P-C4'-P energy: -97.091
tors. eta vs tors. theta energy: -185.521
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: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2178.551380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.551380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.324710 (E_RNA)
where:
Base-Base interactions energy: -1487.447
where: short stacking energy: -637.603
Base-Backbone interact. energy: 3.267
local terms energy: -698.144880
where:
bonds (distance) C4'-P energy: -137.623
bonds (distance) P-C4' energy: -148.046
flat angles C4'-P-C4' energy: -159.447
flat angles P-C4'-P energy: -75.765
tors. eta vs tors. theta energy: -177.265
Dist. restrs. and SS energy: 3.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2151.823768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.823768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.969868 (E_RNA)
where:
Base-Base interactions energy: -1466.963
where: short stacking energy: -624.263
Base-Backbone interact. energy: -0.708
local terms energy: -686.298682
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -140.652
flat angles C4'-P-C4' energy: -152.151
flat angles P-C4'-P energy: -106.609
tors. eta vs tors. theta energy: -157.518
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: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2037.567728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.567728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.029357 (E_RNA)
where:
Base-Base interactions energy: -1373.851
where: short stacking energy: -570.390
Base-Backbone interact. energy: -1.204
local terms energy: -664.973537
where:
bonds (distance) C4'-P energy: -146.943
bonds (distance) P-C4' energy: -130.281
flat angles C4'-P-C4' energy: -141.316
flat angles P-C4'-P energy: -93.664
tors. eta vs tors. theta energy: -152.770
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: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1947.323425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.323425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.104243 (E_RNA)
where:
Base-Base interactions energy: -1336.107
where: short stacking energy: -549.130
Base-Backbone interact. energy: 0.644
local terms energy: -614.641051
where:
bonds (distance) C4'-P energy: -124.480
bonds (distance) P-C4' energy: -134.563
flat angles C4'-P-C4' energy: -144.611
flat angles P-C4'-P energy: -75.426
tors. eta vs tors. theta energy: -135.560
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1845.834127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.834127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.016168 (E_RNA)
where:
Base-Base interactions energy: -1253.739
where: short stacking energy: -519.856
Base-Backbone interact. energy: 3.224
local terms energy: -598.500649
where:
bonds (distance) C4'-P energy: -113.919
bonds (distance) P-C4' energy: -125.400
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -98.269
tors. eta vs tors. theta energy: -115.301
Dist. restrs. and SS energy: 3.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2888.888942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.888942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.899186 (E_RNA)
where:
Base-Base interactions energy: -1990.159
where: short stacking energy: -826.216
Base-Backbone interact. energy: -2.340
local terms energy: -899.399779
where:
bonds (distance) C4'-P energy: -171.412
bonds (distance) P-C4' energy: -144.298
flat angles C4'-P-C4' energy: -184.870
flat angles P-C4'-P energy: -143.835
tors. eta vs tors. theta energy: -254.985
Dist. restrs. and SS energy: 3.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2759.535197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.535197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.840087 (E_RNA)
where:
Base-Base interactions energy: -1918.972
where: short stacking energy: -802.092
Base-Backbone interact. energy: -4.732
local terms energy: -838.136367
where:
bonds (distance) C4'-P energy: -157.768
bonds (distance) P-C4' energy: -153.595
flat angles C4'-P-C4' energy: -172.479
flat angles P-C4'-P energy: -122.652
tors. eta vs tors. theta energy: -231.643
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: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2754.139448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.139448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.126111 (E_RNA)
where:
Base-Base interactions energy: -1916.736
where: short stacking energy: -807.948
Base-Backbone interact. energy: -1.919
local terms energy: -838.471704
where:
bonds (distance) C4'-P energy: -145.538
bonds (distance) P-C4' energy: -151.925
flat angles C4'-P-C4' energy: -184.947
flat angles P-C4'-P energy: -119.743
tors. eta vs tors. theta energy: -236.319
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: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2624.447239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.447239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.238302 (E_RNA)
where:
Base-Base interactions energy: -1849.859
where: short stacking energy: -748.292
Base-Backbone interact. energy: -1.369
local terms energy: -775.009821
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -138.692
flat angles C4'-P-C4' energy: -164.996
flat angles P-C4'-P energy: -112.647
tors. eta vs tors. theta energy: -212.440
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2334.379316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.379316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.876164 (E_RNA)
where:
Base-Base interactions energy: -1567.247
where: short stacking energy: -681.881
Base-Backbone interact. energy: -1.656
local terms energy: -767.973558
where:
bonds (distance) C4'-P energy: -131.300
bonds (distance) P-C4' energy: -155.482
flat angles C4'-P-C4' energy: -168.627
flat angles P-C4'-P energy: -102.546
tors. eta vs tors. theta energy: -210.019
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2171.258946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.258946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.971970 (E_RNA)
where:
Base-Base interactions energy: -1461.674
where: short stacking energy: -651.459
Base-Backbone interact. energy: -3.489
local terms energy: -707.809869
where:
bonds (distance) C4'-P energy: -131.439
bonds (distance) P-C4' energy: -119.357
flat angles C4'-P-C4' energy: -167.909
flat angles P-C4'-P energy: -109.319
tors. eta vs tors. theta energy: -179.786
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: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2129.775817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.775817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.208601 (E_RNA)
where:
Base-Base interactions energy: -1420.181
where: short stacking energy: -584.811
Base-Backbone interact. energy: -3.409
local terms energy: -708.619235
where:
bonds (distance) C4'-P energy: -139.693
bonds (distance) P-C4' energy: -142.881
flat angles C4'-P-C4' energy: -152.599
flat angles P-C4'-P energy: -103.956
tors. eta vs tors. theta energy: -169.490
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: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2066.198369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.198369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.707804 (E_RNA)
where:
Base-Base interactions energy: -1427.232
where: short stacking energy: -593.416
Base-Backbone interact. energy: 2.067
local terms energy: -643.542670
where:
bonds (distance) C4'-P energy: -120.051
bonds (distance) P-C4' energy: -142.506
flat angles C4'-P-C4' energy: -136.493
flat angles P-C4'-P energy: -86.709
tors. eta vs tors. theta energy: -157.783
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1916.124168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.124168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.378943 (E_RNA)
where:
Base-Base interactions energy: -1306.669
where: short stacking energy: -559.327
Base-Backbone interact. energy: 2.571
local terms energy: -618.280228
where:
bonds (distance) C4'-P energy: -127.228
bonds (distance) P-C4' energy: -117.057
flat angles C4'-P-C4' energy: -143.134
flat angles P-C4'-P energy: -83.786
tors. eta vs tors. theta energy: -147.075
Dist. restrs. and SS energy: 6.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1824.646593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.646593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.144113 (E_RNA)
where:
Base-Base interactions energy: -1245.527
where: short stacking energy: -525.579
Base-Backbone interact. energy: -1.918
local terms energy: -580.699633
where:
bonds (distance) C4'-P energy: -114.010
bonds (distance) P-C4' energy: -130.140
flat angles C4'-P-C4' energy: -134.572
flat angles P-C4'-P energy: -79.403
tors. eta vs tors. theta energy: -122.574
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: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2886.987004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.987004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.334978 (E_RNA)
where:
Base-Base interactions energy: -1991.048
where: short stacking energy: -856.464
Base-Backbone interact. energy: -2.832
local terms energy: -895.455777
where:
bonds (distance) C4'-P energy: -171.852
bonds (distance) P-C4' energy: -148.797
flat angles C4'-P-C4' energy: -193.493
flat angles P-C4'-P energy: -130.978
tors. eta vs tors. theta energy: -250.336
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2800.498812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.498812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.408005 (E_RNA)
where:
Base-Base interactions energy: -1945.848
where: short stacking energy: -806.665
Base-Backbone interact. energy: -2.777
local terms energy: -854.782943
where:
bonds (distance) C4'-P energy: -151.989
bonds (distance) P-C4' energy: -160.468
flat angles C4'-P-C4' energy: -177.319
flat angles P-C4'-P energy: -126.670
tors. eta vs tors. theta energy: -238.337
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: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2733.874687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.874687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.584948 (E_RNA)
where:
Base-Base interactions energy: -1925.656
where: short stacking energy: -778.395
Base-Backbone interact. energy: -3.428
local terms energy: -807.501494
where:
bonds (distance) C4'-P energy: -134.618
bonds (distance) P-C4' energy: -156.596
flat angles C4'-P-C4' energy: -181.018
flat angles P-C4'-P energy: -117.220
tors. eta vs tors. theta energy: -218.050
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: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2661.321943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.321943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.627875 (E_RNA)
where:
Base-Base interactions energy: -1873.006
where: short stacking energy: -754.951
Base-Backbone interact. energy: 0.958
local terms energy: -790.579242
where:
bonds (distance) C4'-P energy: -138.206
bonds (distance) P-C4' energy: -142.531
flat angles C4'-P-C4' energy: -164.661
flat angles P-C4'-P energy: -120.037
tors. eta vs tors. theta energy: -225.144
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2339.274489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.274489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.914451 (E_RNA)
where:
Base-Base interactions energy: -1570.177
where: short stacking energy: -675.543
Base-Backbone interact. energy: -2.725
local terms energy: -768.011831
where:
bonds (distance) C4'-P energy: -135.315
bonds (distance) P-C4' energy: -150.703
flat angles C4'-P-C4' energy: -177.934
flat angles P-C4'-P energy: -112.175
tors. eta vs tors. theta energy: -191.884
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: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2200.066605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.066605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.846478 (E_RNA)
where:
Base-Base interactions energy: -1480.707
where: short stacking energy: -663.654
Base-Backbone interact. energy: 1.506
local terms energy: -722.645689
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -138.606
flat angles C4'-P-C4' energy: -164.105
flat angles P-C4'-P energy: -107.049
tors. eta vs tors. theta energy: -184.992
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2144.351340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.351340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.481785 (E_RNA)
where:
Base-Base interactions energy: -1419.704
where: short stacking energy: -611.190
Base-Backbone interact. energy: -4.600
local terms energy: -723.177868
where:
bonds (distance) C4'-P energy: -133.585
bonds (distance) P-C4' energy: -155.536
flat angles C4'-P-C4' energy: -173.026
flat angles P-C4'-P energy: -93.527
tors. eta vs tors. theta energy: -167.503
Dist. restrs. and SS energy: 3.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2112.241004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.241004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.627863 (E_RNA)
where:
Base-Base interactions energy: -1416.970
where: short stacking energy: -615.482
Base-Backbone interact. energy: -0.895
local terms energy: -696.763211
where:
bonds (distance) C4'-P energy: -136.483
bonds (distance) P-C4' energy: -131.952
flat angles C4'-P-C4' energy: -157.023
flat angles P-C4'-P energy: -95.395
tors. eta vs tors. theta energy: -175.910
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: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1910.130731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.130731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.993334 (E_RNA)
where:
Base-Base interactions energy: -1299.330
where: short stacking energy: -519.664
Base-Backbone interact. energy: -1.738
local terms energy: -611.925803
where:
bonds (distance) C4'-P energy: -141.581
bonds (distance) P-C4' energy: -120.409
flat angles C4'-P-C4' energy: -132.054
flat angles P-C4'-P energy: -86.114
tors. eta vs tors. theta energy: -131.768
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: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1941.224499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.224499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.004486 (E_RNA)
where:
Base-Base interactions energy: -1301.117
where: short stacking energy: -549.342
Base-Backbone interact. energy: 3.832
local terms energy: -648.719575
where:
bonds (distance) C4'-P energy: -140.018
bonds (distance) P-C4' energy: -128.521
flat angles C4'-P-C4' energy: -145.234
flat angles P-C4'-P energy: -86.720
tors. eta vs tors. theta energy: -148.225
Dist. restrs. and SS energy: 4.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2867.415668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.415668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.689704 (E_RNA)
where:
Base-Base interactions energy: -1995.462
where: short stacking energy: -836.609
Base-Backbone interact. energy: -1.766
local terms energy: -871.461285
where:
bonds (distance) C4'-P energy: -172.254
bonds (distance) P-C4' energy: -164.054
flat angles C4'-P-C4' energy: -174.397
flat angles P-C4'-P energy: -103.493
tors. eta vs tors. theta energy: -257.263
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2795.300244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.300244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.086531 (E_RNA)
where:
Base-Base interactions energy: -1935.985
where: short stacking energy: -797.778
Base-Backbone interact. energy: -4.771
local terms energy: -858.330443
where:
bonds (distance) C4'-P energy: -164.587
bonds (distance) P-C4' energy: -154.782
flat angles C4'-P-C4' energy: -188.488
flat angles P-C4'-P energy: -120.360
tors. eta vs tors. theta energy: -230.113
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: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2700.410991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.410991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.210321 (E_RNA)
where:
Base-Base interactions energy: -1862.037
where: short stacking energy: -788.353
Base-Backbone interact. energy: -2.533
local terms energy: -838.639854
where:
bonds (distance) C4'-P energy: -152.854
bonds (distance) P-C4' energy: -158.964
flat angles C4'-P-C4' energy: -175.129
flat angles P-C4'-P energy: -117.381
tors. eta vs tors. theta energy: -234.311
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2628.223534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.223534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.014266 (E_RNA)
where:
Base-Base interactions energy: -1857.437
where: short stacking energy: -752.424
Base-Backbone interact. energy: 0.481
local terms energy: -773.057900
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -142.888
flat angles C4'-P-C4' energy: -177.926
flat angles P-C4'-P energy: -100.088
tors. eta vs tors. theta energy: -218.602
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2338.691177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.691177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.844618 (E_RNA)
where:
Base-Base interactions energy: -1570.369
where: short stacking energy: -665.329
Base-Backbone interact. energy: -2.611
local terms energy: -767.864494
where:
bonds (distance) C4'-P energy: -148.411
bonds (distance) P-C4' energy: -149.981
flat angles C4'-P-C4' energy: -153.418
flat angles P-C4'-P energy: -127.065
tors. eta vs tors. theta energy: -188.989
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2213.284938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.284938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.262892 (E_RNA)
where:
Base-Base interactions energy: -1489.365
where: short stacking energy: -646.359
Base-Backbone interact. energy: 3.272
local terms energy: -729.170220
where:
bonds (distance) C4'-P energy: -138.525
bonds (distance) P-C4' energy: -148.352
flat angles C4'-P-C4' energy: -165.564
flat angles P-C4'-P energy: -98.645
tors. eta vs tors. theta energy: -178.084
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2089.941233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.941233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.446208 (E_RNA)
where:
Base-Base interactions energy: -1413.247
where: short stacking energy: -612.833
Base-Backbone interact. energy: -2.445
local terms energy: -677.754909
where:
bonds (distance) C4'-P energy: -132.152
bonds (distance) P-C4' energy: -139.060
flat angles C4'-P-C4' energy: -144.436
flat angles P-C4'-P energy: -91.244
tors. eta vs tors. theta energy: -170.863
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: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1994.759652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.759652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.633313 (E_RNA)
where:
Base-Base interactions energy: -1340.606
where: short stacking energy: -534.932
Base-Backbone interact. energy: -4.232
local terms energy: -652.794872
where:
bonds (distance) C4'-P energy: -136.936
bonds (distance) P-C4' energy: -134.304
flat angles C4'-P-C4' energy: -156.622
flat angles P-C4'-P energy: -93.292
tors. eta vs tors. theta energy: -131.641
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: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1993.516334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.516334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.067779 (E_RNA)
where:
Base-Base interactions energy: -1342.898
where: short stacking energy: -569.059
Base-Backbone interact. energy: 2.990
local terms energy: -660.160267
where:
bonds (distance) C4'-P energy: -150.542
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -157.246
flat angles P-C4'-P energy: -90.531
tors. eta vs tors. theta energy: -143.881
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: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1858.040223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.040223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.344492 (E_RNA)
where:
Base-Base interactions energy: -1252.119
where: short stacking energy: -527.583
Base-Backbone interact. energy: 4.368
local terms energy: -615.592926
where:
bonds (distance) C4'-P energy: -107.770
bonds (distance) P-C4' energy: -142.358
flat angles C4'-P-C4' energy: -149.738
flat angles P-C4'-P energy: -87.886
tors. eta vs tors. theta energy: -127.840
Dist. restrs. and SS energy: 5.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2887.480056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.480056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.544237 (E_RNA)
where:
Base-Base interactions energy: -1964.279
where: short stacking energy: -813.470
Base-Backbone interact. energy: -6.811
local terms energy: -918.454254
where:
bonds (distance) C4'-P energy: -176.577
bonds (distance) P-C4' energy: -159.875
flat angles C4'-P-C4' energy: -195.248
flat angles P-C4'-P energy: -130.268
tors. eta vs tors. theta energy: -256.486
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: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2826.481978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.481978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.495073 (E_RNA)
where:
Base-Base interactions energy: -1958.148
where: short stacking energy: -845.279
Base-Backbone interact. energy: -1.847
local terms energy: -868.499765
where:
bonds (distance) C4'-P energy: -143.290
bonds (distance) P-C4' energy: -155.770
flat angles C4'-P-C4' energy: -196.492
flat angles P-C4'-P energy: -126.042
tors. eta vs tors. theta energy: -246.906
Dist. restrs. and SS energy: 2.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2685.970825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.970825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.085308 (E_RNA)
where:
Base-Base interactions energy: -1881.727
where: short stacking energy: -778.609
Base-Backbone interact. energy: 1.725
local terms energy: -808.083844
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -160.182
flat angles C4'-P-C4' energy: -169.055
flat angles P-C4'-P energy: -115.539
tors. eta vs tors. theta energy: -228.884
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2624.046492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.046492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.164232 (E_RNA)
where:
Base-Base interactions energy: -1832.944
where: short stacking energy: -762.148
Base-Backbone interact. energy: -1.114
local terms energy: -791.106066
where:
bonds (distance) C4'-P energy: -128.899
bonds (distance) P-C4' energy: -145.985
flat angles C4'-P-C4' energy: -175.602
flat angles P-C4'-P energy: -116.942
tors. eta vs tors. theta energy: -223.678
Dist. restrs. and SS energy: 1.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2330.711799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.711799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.075448 (E_RNA)
where:
Base-Base interactions energy: -1568.892
where: short stacking energy: -686.914
Base-Backbone interact. energy: 0.214
local terms energy: -763.396818
where:
bonds (distance) C4'-P energy: -137.959
bonds (distance) P-C4' energy: -162.078
flat angles C4'-P-C4' energy: -163.491
flat angles P-C4'-P energy: -116.523
tors. eta vs tors. theta energy: -183.346
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: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2187.644414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.644414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.626138 (E_RNA)
where:
Base-Base interactions energy: -1487.421
where: short stacking energy: -663.215
Base-Backbone interact. energy: -1.515
local terms energy: -699.689503
where:
bonds (distance) C4'-P energy: -137.066
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -148.702
flat angles P-C4'-P energy: -98.024
tors. eta vs tors. theta energy: -187.823
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2113.089705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.089705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.892134 (E_RNA)
where:
Base-Base interactions energy: -1422.136
where: short stacking energy: -593.159
Base-Backbone interact. energy: 2.849
local terms energy: -696.605549
where:
bonds (distance) C4'-P energy: -126.202
bonds (distance) P-C4' energy: -142.092
flat angles C4'-P-C4' energy: -153.014
flat angles P-C4'-P energy: -108.455
tors. eta vs tors. theta energy: -166.843
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: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2033.705991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.705991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.575184 (E_RNA)
where:
Base-Base interactions energy: -1364.633
where: short stacking energy: -587.149
Base-Backbone interact. energy: 3.132
local terms energy: -674.074387
where:
bonds (distance) C4'-P energy: -150.664
bonds (distance) P-C4' energy: -134.845
flat angles C4'-P-C4' energy: -157.011
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -156.395
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: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1945.762345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.762345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.375986 (E_RNA)
where:
Base-Base interactions energy: -1314.236
where: short stacking energy: -535.841
Base-Backbone interact. energy: -1.983
local terms energy: -632.157717
where:
bonds (distance) C4'-P energy: -117.303
bonds (distance) P-C4' energy: -130.517
flat angles C4'-P-C4' energy: -150.209
flat angles P-C4'-P energy: -98.933
tors. eta vs tors. theta energy: -135.196
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1832.819631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.819631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.631880 (E_RNA)
where:
Base-Base interactions energy: -1240.212
where: short stacking energy: -527.627
Base-Backbone interact. energy: 4.504
local terms energy: -603.923245
where:
bonds (distance) C4'-P energy: -114.123
bonds (distance) P-C4' energy: -123.317
flat angles C4'-P-C4' energy: -154.583
flat angles P-C4'-P energy: -80.305
tors. eta vs tors. theta energy: -131.595
Dist. restrs. and SS energy: 6.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2883.745924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.745924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.423128 (E_RNA)
where:
Base-Base interactions energy: -1992.013
where: short stacking energy: -835.410
Base-Backbone interact. energy: -0.713
local terms energy: -892.697073
where:
bonds (distance) C4'-P energy: -165.314
bonds (distance) P-C4' energy: -152.677
flat angles C4'-P-C4' energy: -192.185
flat angles P-C4'-P energy: -133.599
tors. eta vs tors. theta energy: -248.922
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2779.975667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.975667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.366842 (E_RNA)
where:
Base-Base interactions energy: -1897.521
where: short stacking energy: -799.288
Base-Backbone interact. energy: 3.761
local terms energy: -887.607339
where:
bonds (distance) C4'-P energy: -162.826
bonds (distance) P-C4' energy: -174.801
flat angles C4'-P-C4' energy: -181.092
flat angles P-C4'-P energy: -121.254
tors. eta vs tors. theta energy: -247.635
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: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2659.385614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.385614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.021662 (E_RNA)
where:
Base-Base interactions energy: -1827.662
where: short stacking energy: -767.922
Base-Backbone interact. energy: -4.372
local terms energy: -831.987182
where:
bonds (distance) C4'-P energy: -150.237
bonds (distance) P-C4' energy: -160.626
flat angles C4'-P-C4' energy: -177.278
flat angles P-C4'-P energy: -120.309
tors. eta vs tors. theta energy: -223.537
Dist. restrs. and SS energy: 4.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2590.596063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.596063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.289620 (E_RNA)
where:
Base-Base interactions energy: -1801.999
where: short stacking energy: -747.135
Base-Backbone interact. energy: -0.098
local terms energy: -790.192243
where:
bonds (distance) C4'-P energy: -145.689
bonds (distance) P-C4' energy: -151.193
flat angles C4'-P-C4' energy: -176.938
flat angles P-C4'-P energy: -107.391
tors. eta vs tors. theta energy: -208.981
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: 5, replica: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2328.885316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.885316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.602744 (E_RNA)
where:
Base-Base interactions energy: -1562.876
where: short stacking energy: -677.715
Base-Backbone interact. energy: -0.941
local terms energy: -766.785145
where:
bonds (distance) C4'-P energy: -153.440
bonds (distance) P-C4' energy: -145.458
flat angles C4'-P-C4' energy: -172.482
flat angles P-C4'-P energy: -105.064
tors. eta vs tors. theta energy: -190.341
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2141.158351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.158351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.660558 (E_RNA)
where:
Base-Base interactions energy: -1425.641
where: short stacking energy: -612.691
Base-Backbone interact. energy: -4.101
local terms energy: -713.918158
where:
bonds (distance) C4'-P energy: -143.329
bonds (distance) P-C4' energy: -145.802
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -97.103
tors. eta vs tors. theta energy: -164.229
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: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2092.319474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.319474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.520696 (E_RNA)
where:
Base-Base interactions energy: -1380.377
where: short stacking energy: -577.119
Base-Backbone interact. energy: 1.723
local terms energy: -717.866772
where:
bonds (distance) C4'-P energy: -141.312
bonds (distance) P-C4' energy: -165.450
flat angles C4'-P-C4' energy: -147.421
flat angles P-C4'-P energy: -103.745
tors. eta vs tors. theta energy: -159.939
Dist. restrs. and SS energy: 4.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2050.831127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.831127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.215829 (E_RNA)
where:
Base-Base interactions energy: -1379.541
where: short stacking energy: -599.012
Base-Backbone interact. energy: 7.364
local terms energy: -680.039072
where:
bonds (distance) C4'-P energy: -125.696
bonds (distance) P-C4' energy: -143.765
flat angles C4'-P-C4' energy: -150.425
flat angles P-C4'-P energy: -88.946
tors. eta vs tors. theta energy: -171.208
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: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1926.637140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.637140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.108107 (E_RNA)
where:
Base-Base interactions energy: -1315.398
where: short stacking energy: -541.865
Base-Backbone interact. energy: 8.251
local terms energy: -621.961458
where:
bonds (distance) C4'-P energy: -120.782
bonds (distance) P-C4' energy: -141.414
flat angles C4'-P-C4' energy: -140.529
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -127.244
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: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1951.855584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.855584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.943279 (E_RNA)
where:
Base-Base interactions energy: -1322.788
where: short stacking energy: -557.542
Base-Backbone interact. energy: -3.941
local terms energy: -629.214999
where:
bonds (distance) C4'-P energy: -125.701
bonds (distance) P-C4' energy: -117.395
flat angles C4'-P-C4' energy: -144.103
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -148.352
Dist. restrs. and SS energy: 4.088 (S_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: 332
Temperature: 0.900000
Total energy: -2872.047358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.047358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.290637 (E_RNA)
where:
Base-Base interactions energy: -2022.035
where: short stacking energy: -836.839
Base-Backbone interact. energy: -1.081
local terms energy: -850.174800
where:
bonds (distance) C4'-P energy: -157.754
bonds (distance) P-C4' energy: -159.054
flat angles C4'-P-C4' energy: -182.984
flat angles P-C4'-P energy: -112.333
tors. eta vs tors. theta energy: -238.050
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2820.810222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.810222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.490401 (E_RNA)
where:
Base-Base interactions energy: -1957.103
where: short stacking energy: -827.131
Base-Backbone interact. energy: 2.989
local terms energy: -869.376169
where:
bonds (distance) C4'-P energy: -149.752
bonds (distance) P-C4' energy: -167.098
flat angles C4'-P-C4' energy: -174.884
flat angles P-C4'-P energy: -124.372
tors. eta vs tors. theta energy: -253.270
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2676.603586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.603586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.394452 (E_RNA)
where:
Base-Base interactions energy: -1851.788
where: short stacking energy: -752.653
Base-Backbone interact. energy: -4.764
local terms energy: -821.841870
where:
bonds (distance) C4'-P energy: -164.956
bonds (distance) P-C4' energy: -144.202
flat angles C4'-P-C4' energy: -174.514
flat angles P-C4'-P energy: -118.756
tors. eta vs tors. theta energy: -219.415
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: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2610.679126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.679126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.273868 (E_RNA)
where:
Base-Base interactions energy: -1839.223
where: short stacking energy: -751.801
Base-Backbone interact. energy: -4.436
local terms energy: -769.614715
where:
bonds (distance) C4'-P energy: -135.839
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -171.990
flat angles P-C4'-P energy: -116.080
tors. eta vs tors. theta energy: -216.096
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: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2373.041018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.041018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.059746 (E_RNA)
where:
Base-Base interactions energy: -1622.007
where: short stacking energy: -686.224
Base-Backbone interact. energy: -1.103
local terms energy: -751.949817
where:
bonds (distance) C4'-P energy: -143.721
bonds (distance) P-C4' energy: -144.724
flat angles C4'-P-C4' energy: -161.201
flat angles P-C4'-P energy: -107.495
tors. eta vs tors. theta energy: -194.809
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: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2192.965239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.965239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.703639 (E_RNA)
where:
Base-Base interactions energy: -1517.120
where: short stacking energy: -650.974
Base-Backbone interact. energy: 0.930
local terms energy: -678.513381
where:
bonds (distance) C4'-P energy: -120.892
bonds (distance) P-C4' energy: -126.676
flat angles C4'-P-C4' energy: -146.376
flat angles P-C4'-P energy: -113.609
tors. eta vs tors. theta energy: -170.960
Dist. restrs. and SS energy: 1.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2115.183771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.183771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.777315 (E_RNA)
where:
Base-Base interactions energy: -1396.893
where: short stacking energy: -613.096
Base-Backbone interact. energy: -1.145
local terms energy: -718.739026
where:
bonds (distance) C4'-P energy: -128.675
bonds (distance) P-C4' energy: -154.647
flat angles C4'-P-C4' energy: -157.059
flat angles P-C4'-P energy: -91.893
tors. eta vs tors. theta energy: -186.464
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: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2064.999448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.999448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.508776 (E_RNA)
where:
Base-Base interactions energy: -1425.261
where: short stacking energy: -596.661
Base-Backbone interact. energy: 1.844
local terms energy: -644.091782
where:
bonds (distance) C4'-P energy: -113.828
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -160.781
flat angles P-C4'-P energy: -97.816
tors. eta vs tors. theta energy: -155.177
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1932.550882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.550882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.413943 (E_RNA)
where:
Base-Base interactions energy: -1311.947
where: short stacking energy: -540.338
Base-Backbone interact. energy: -2.221
local terms energy: -621.246259
where:
bonds (distance) C4'-P energy: -121.457
bonds (distance) P-C4' energy: -132.654
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -80.461
tors. eta vs tors. theta energy: -150.912
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: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1864.379685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.379685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.756751 (E_RNA)
where:
Base-Base interactions energy: -1263.045
where: short stacking energy: -509.031
Base-Backbone interact. energy: 0.223
local terms energy: -604.935337
where:
bonds (distance) C4'-P energy: -131.776
bonds (distance) P-C4' energy: -107.654
flat angles C4'-P-C4' energy: -145.821
flat angles P-C4'-P energy: -81.592
tors. eta vs tors. theta energy: -138.093
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: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2896.211571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.211571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.034338 (E_RNA)
where:
Base-Base interactions energy: -2011.547
where: short stacking energy: -842.689
Base-Backbone interact. energy: -3.836
local terms energy: -882.651581
where:
bonds (distance) C4'-P energy: -150.841
bonds (distance) P-C4' energy: -171.443
flat angles C4'-P-C4' energy: -189.411
flat angles P-C4'-P energy: -131.420
tors. eta vs tors. theta energy: -239.536
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: 333
Temperature: 0.950000
Total energy: -2814.215663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.215663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.026650 (E_RNA)
where:
Base-Base interactions energy: -1959.841
where: short stacking energy: -854.851
Base-Backbone interact. energy: 3.200
local terms energy: -859.386034
where:
bonds (distance) C4'-P energy: -152.958
bonds (distance) P-C4' energy: -147.944
flat angles C4'-P-C4' energy: -193.664
flat angles P-C4'-P energy: -108.386
tors. eta vs tors. theta energy: -256.435
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2749.315374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.315374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.216604 (E_RNA)
where:
Base-Base interactions energy: -1909.952
where: short stacking energy: -767.731
Base-Backbone interact. energy: -3.451
local terms energy: -837.813304
where:
bonds (distance) C4'-P energy: -152.460
bonds (distance) P-C4' energy: -159.078
flat angles C4'-P-C4' energy: -186.503
flat angles P-C4'-P energy: -115.803
tors. eta vs tors. theta energy: -223.969
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2564.519435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.519435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.931704 (E_RNA)
where:
Base-Base interactions energy: -1772.366
where: short stacking energy: -756.876
Base-Backbone interact. energy: 4.274
local terms energy: -798.840173
where:
bonds (distance) C4'-P energy: -137.930
bonds (distance) P-C4' energy: -151.955
flat angles C4'-P-C4' energy: -176.505
flat angles P-C4'-P energy: -104.868
tors. eta vs tors. theta energy: -227.582
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: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2332.808546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.808546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.567020 (E_RNA)
where:
Base-Base interactions energy: -1567.963
where: short stacking energy: -665.055
Base-Backbone interact. energy: 0.146
local terms energy: -766.750047
where:
bonds (distance) C4'-P energy: -149.096
bonds (distance) P-C4' energy: -160.017
flat angles C4'-P-C4' energy: -160.994
flat angles P-C4'-P energy: -113.196
tors. eta vs tors. theta energy: -183.446
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: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2176.147564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.147564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.815389 (E_RNA)
where:
Base-Base interactions energy: -1449.520
where: short stacking energy: -604.996
Base-Backbone interact. energy: 1.422
local terms energy: -729.716618
where:
bonds (distance) C4'-P energy: -142.058
bonds (distance) P-C4' energy: -142.955
flat angles C4'-P-C4' energy: -158.302
flat angles P-C4'-P energy: -116.981
tors. eta vs tors. theta energy: -169.420
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2122.109632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.109632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.224237 (E_RNA)
where:
Base-Base interactions energy: -1427.016
where: short stacking energy: -645.782
Base-Backbone interact. energy: 2.790
local terms energy: -700.998733
where:
bonds (distance) C4'-P energy: -137.271
bonds (distance) P-C4' energy: -142.999
flat angles C4'-P-C4' energy: -174.618
flat angles P-C4'-P energy: -75.609
tors. eta vs tors. theta energy: -170.502
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: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2077.812440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.812440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.811518 (E_RNA)
where:
Base-Base interactions energy: -1409.652
where: short stacking energy: -601.289
Base-Backbone interact. energy: 1.781
local terms energy: -671.939691
where:
bonds (distance) C4'-P energy: -127.988
bonds (distance) P-C4' energy: -121.012
flat angles C4'-P-C4' energy: -154.245
flat angles P-C4'-P energy: -94.542
tors. eta vs tors. theta energy: -174.153
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: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1919.907344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.907344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.206373 (E_RNA)
where:
Base-Base interactions energy: -1327.260
where: short stacking energy: -547.298
Base-Backbone interact. energy: 8.099
local terms energy: -602.044978
where:
bonds (distance) C4'-P energy: -106.088
bonds (distance) P-C4' energy: -141.737
flat angles C4'-P-C4' energy: -139.075
flat angles P-C4'-P energy: -84.853
tors. eta vs tors. theta energy: -130.292
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1856.970401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.970401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.855301 (E_RNA)
where:
Base-Base interactions energy: -1290.283
where: short stacking energy: -499.470
Base-Backbone interact. energy: -2.672
local terms energy: -573.899890
where:
bonds (distance) C4'-P energy: -113.417
bonds (distance) P-C4' energy: -128.156
flat angles C4'-P-C4' energy: -123.696
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -122.473
Dist. restrs. and SS energy: 9.885 (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: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2904.346946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.346946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.675475 (E_RNA)
where:
Base-Base interactions energy: -2008.262
where: short stacking energy: -843.054
Base-Backbone interact. energy: 0.588
local terms energy: -898.001278
where:
bonds (distance) C4'-P energy: -156.258
bonds (distance) P-C4' energy: -172.271
flat angles C4'-P-C4' energy: -194.551
flat angles P-C4'-P energy: -137.147
tors. eta vs tors. theta energy: -237.775
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2790.379175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.379175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.781892 (E_RNA)
where:
Base-Base interactions energy: -1929.377
where: short stacking energy: -812.282
Base-Backbone interact. energy: -4.420
local terms energy: -858.984974
where:
bonds (distance) C4'-P energy: -150.585
bonds (distance) P-C4' energy: -166.102
flat angles C4'-P-C4' energy: -185.915
flat angles P-C4'-P energy: -111.578
tors. eta vs tors. theta energy: -244.804
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2722.507335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.507335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.506809 (E_RNA)
where:
Base-Base interactions energy: -1901.959
where: short stacking energy: -781.534
Base-Backbone interact. energy: 2.020
local terms energy: -824.567700
where:
bonds (distance) C4'-P energy: -151.696
bonds (distance) P-C4' energy: -150.924
flat angles C4'-P-C4' energy: -175.390
flat angles P-C4'-P energy: -118.462
tors. eta vs tors. theta energy: -228.096
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2503.136806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.136806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.254115 (E_RNA)
where:
Base-Base interactions energy: -1729.866
where: short stacking energy: -725.465
Base-Backbone interact. energy: -0.453
local terms energy: -774.934763
where:
bonds (distance) C4'-P energy: -137.133
bonds (distance) P-C4' energy: -146.721
flat angles C4'-P-C4' energy: -167.602
flat angles P-C4'-P energy: -120.462
tors. eta vs tors. theta energy: -203.017
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: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2379.059425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.059425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.353809 (E_RNA)
where:
Base-Base interactions energy: -1596.682
where: short stacking energy: -704.504
Base-Backbone interact. energy: 0.155
local terms energy: -783.826924
where:
bonds (distance) C4'-P energy: -159.061
bonds (distance) P-C4' energy: -163.749
flat angles C4'-P-C4' energy: -160.781
flat angles P-C4'-P energy: -101.477
tors. eta vs tors. theta energy: -198.758
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2180.055581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.055581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.707073 (E_RNA)
where:
Base-Base interactions energy: -1460.240
where: short stacking energy: -664.302
Base-Backbone interact. energy: 1.786
local terms energy: -724.253001
where:
bonds (distance) C4'-P energy: -139.956
bonds (distance) P-C4' energy: -152.468
flat angles C4'-P-C4' energy: -151.798
flat angles P-C4'-P energy: -103.620
tors. eta vs tors. theta energy: -176.412
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2097.986843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.986843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.775063 (E_RNA)
where:
Base-Base interactions energy: -1445.506
where: short stacking energy: -632.515
Base-Backbone interact. energy: -0.910
local terms energy: -655.358690
where:
bonds (distance) C4'-P energy: -113.363
bonds (distance) P-C4' energy: -104.610
flat angles C4'-P-C4' energy: -157.353
flat angles P-C4'-P energy: -106.113
tors. eta vs tors. theta energy: -173.919
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2015.720566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.720566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.259791 (E_RNA)
where:
Base-Base interactions energy: -1351.897
where: short stacking energy: -587.232
Base-Backbone interact. energy: 1.515
local terms energy: -673.877886
where:
bonds (distance) C4'-P energy: -135.614
bonds (distance) P-C4' energy: -136.208
flat angles C4'-P-C4' energy: -145.875
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -161.584
Dist. restrs. and SS energy: 8.539 (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: 334
Temperature: 1.300000
Total energy: -1901.911997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.911997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.213923 (E_RNA)
where:
Base-Base interactions energy: -1272.250
where: short stacking energy: -506.763
Base-Backbone interact. energy: 0.628
local terms energy: -632.591351
where:
bonds (distance) C4'-P energy: -119.959
bonds (distance) P-C4' energy: -136.065
flat angles C4'-P-C4' energy: -162.873
flat angles P-C4'-P energy: -94.923
tors. eta vs tors. theta energy: -118.771
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: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1850.594505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.594505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.887443 (E_RNA)
where:
Base-Base interactions energy: -1261.796
where: short stacking energy: -526.660
Base-Backbone interact. energy: -3.608
local terms energy: -588.483575
where:
bonds (distance) C4'-P energy: -123.591
bonds (distance) P-C4' energy: -131.844
flat angles C4'-P-C4' energy: -130.210
flat angles P-C4'-P energy: -74.247
tors. eta vs tors. theta energy: -128.591
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2914.307107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.307107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.105044 (E_RNA)
where:
Base-Base interactions energy: -2030.122
where: short stacking energy: -852.417
Base-Backbone interact. energy: -0.105
local terms energy: -884.878218
where:
bonds (distance) C4'-P energy: -158.224
bonds (distance) P-C4' energy: -172.350
flat angles C4'-P-C4' energy: -178.937
flat angles P-C4'-P energy: -122.086
tors. eta vs tors. theta energy: -253.282
Dist. restrs. and SS energy: 0.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2793.783128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.783128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.287132 (E_RNA)
where:
Base-Base interactions energy: -1926.885
where: short stacking energy: -837.457
Base-Backbone interact. energy: 2.384
local terms energy: -871.785881
where:
bonds (distance) C4'-P energy: -154.263
bonds (distance) P-C4' energy: -168.575
flat angles C4'-P-C4' energy: -185.718
flat angles P-C4'-P energy: -112.172
tors. eta vs tors. theta energy: -251.058
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: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2737.830912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.830912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.995220 (E_RNA)
where:
Base-Base interactions energy: -1858.830
where: short stacking energy: -768.367
Base-Backbone interact. energy: -3.218
local terms energy: -877.947075
where:
bonds (distance) C4'-P energy: -154.865
bonds (distance) P-C4' energy: -179.015
flat angles C4'-P-C4' energy: -197.442
flat angles P-C4'-P energy: -120.568
tors. eta vs tors. theta energy: -226.056
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: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2505.108490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.108490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.788875 (E_RNA)
where:
Base-Base interactions energy: -1723.597
where: short stacking energy: -724.372
Base-Backbone interact. energy: -1.761
local terms energy: -782.430201
where:
bonds (distance) C4'-P energy: -144.188
bonds (distance) P-C4' energy: -159.972
flat angles C4'-P-C4' energy: -169.355
flat angles P-C4'-P energy: -107.142
tors. eta vs tors. theta energy: -201.774
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2368.035457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.035457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.247368 (E_RNA)
where:
Base-Base interactions energy: -1606.652
where: short stacking energy: -691.864
Base-Backbone interact. energy: -1.510
local terms energy: -762.085496
where:
bonds (distance) C4'-P energy: -151.296
bonds (distance) P-C4' energy: -137.490
flat angles C4'-P-C4' energy: -166.442
flat angles P-C4'-P energy: -103.463
tors. eta vs tors. theta energy: -203.394
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: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2155.813965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.813965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.858398 (E_RNA)
where:
Base-Base interactions energy: -1468.103
where: short stacking energy: -639.163
Base-Backbone interact. energy: -1.163
local terms energy: -689.592148
where:
bonds (distance) C4'-P energy: -115.582
bonds (distance) P-C4' energy: -137.851
flat angles C4'-P-C4' energy: -152.904
flat angles P-C4'-P energy: -100.316
tors. eta vs tors. theta energy: -182.940
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2142.446025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.446025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.173427 (E_RNA)
where:
Base-Base interactions energy: -1444.327
where: short stacking energy: -603.608
Base-Backbone interact. energy: 3.101
local terms energy: -702.947610
where:
bonds (distance) C4'-P energy: -134.608
bonds (distance) P-C4' energy: -144.529
flat angles C4'-P-C4' energy: -154.955
flat angles P-C4'-P energy: -101.751
tors. eta vs tors. theta energy: -167.105
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1996.995657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.995657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.925865 (E_RNA)
where:
Base-Base interactions energy: -1359.146
where: short stacking energy: -595.469
Base-Backbone interact. energy: -1.072
local terms energy: -639.707923
where:
bonds (distance) C4'-P energy: -124.973
bonds (distance) P-C4' energy: -129.423
flat angles C4'-P-C4' energy: -143.075
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -150.629
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1959.490364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.490364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.212268 (E_RNA)
where:
Base-Base interactions energy: -1315.429
where: short stacking energy: -558.535
Base-Backbone interact. energy: 3.548
local terms energy: -649.332092
where:
bonds (distance) C4'-P energy: -109.691
bonds (distance) P-C4' energy: -138.306
flat angles C4'-P-C4' energy: -171.210
flat angles P-C4'-P energy: -84.819
tors. eta vs tors. theta energy: -145.307
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1881.358367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.358367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.737790 (E_RNA)
where:
Base-Base interactions energy: -1288.770
where: short stacking energy: -534.927
Base-Backbone interact. energy: 1.781
local terms energy: -596.748678
where:
bonds (distance) C4'-P energy: -121.217
bonds (distance) P-C4' energy: -110.293
flat angles C4'-P-C4' energy: -128.979
flat angles P-C4'-P energy: -91.009
tors. eta vs tors. theta energy: -145.251
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: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2890.300344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.300344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.485639 (E_RNA)
where:
Base-Base interactions energy: -1999.609
where: short stacking energy: -846.853
Base-Backbone interact. energy: -3.437
local terms energy: -889.439216
where:
bonds (distance) C4'-P energy: -164.628
bonds (distance) P-C4' energy: -163.106
flat angles C4'-P-C4' energy: -180.922
flat angles P-C4'-P energy: -124.218
tors. eta vs tors. theta energy: -256.565
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2771.632716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.632716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.758547 (E_RNA)
where:
Base-Base interactions energy: -1920.337
where: short stacking energy: -802.379
Base-Backbone interact. energy: 1.389
local terms energy: -854.810646
where:
bonds (distance) C4'-P energy: -146.904
bonds (distance) P-C4' energy: -157.050
flat angles C4'-P-C4' energy: -187.604
flat angles P-C4'-P energy: -117.607
tors. eta vs tors. theta energy: -245.645
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2728.667873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.667873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.121966 (E_RNA)
where:
Base-Base interactions energy: -1895.438
where: short stacking energy: -774.778
Base-Backbone interact. energy: -2.156
local terms energy: -832.527176
where:
bonds (distance) C4'-P energy: -146.610
bonds (distance) P-C4' energy: -160.792
flat angles C4'-P-C4' energy: -173.239
flat angles P-C4'-P energy: -131.534
tors. eta vs tors. theta energy: -220.353
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2529.105044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.105044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.618124 (E_RNA)
where:
Base-Base interactions energy: -1738.458
where: short stacking energy: -722.190
Base-Backbone interact. energy: -0.313
local terms energy: -791.847276
where:
bonds (distance) C4'-P energy: -165.384
bonds (distance) P-C4' energy: -152.786
flat angles C4'-P-C4' energy: -170.657
flat angles P-C4'-P energy: -105.107
tors. eta vs tors. theta energy: -197.914
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: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2336.363173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.363173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.711234 (E_RNA)
where:
Base-Base interactions energy: -1590.913
where: short stacking energy: -678.869
Base-Backbone interact. energy: -2.845
local terms energy: -743.953635
where:
bonds (distance) C4'-P energy: -143.594
bonds (distance) P-C4' energy: -142.849
flat angles C4'-P-C4' energy: -154.432
flat angles P-C4'-P energy: -107.016
tors. eta vs tors. theta energy: -196.063
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: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2193.788776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.788776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.248321 (E_RNA)
where:
Base-Base interactions energy: -1522.246
where: short stacking energy: -659.534
Base-Backbone interact. energy: -0.237
local terms energy: -673.765408
where:
bonds (distance) C4'-P energy: -137.262
bonds (distance) P-C4' energy: -128.277
flat angles C4'-P-C4' energy: -146.255
flat angles P-C4'-P energy: -84.932
tors. eta vs tors. theta energy: -177.040
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2112.608344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.608344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.100419 (E_RNA)
where:
Base-Base interactions energy: -1401.450
where: short stacking energy: -616.151
Base-Backbone interact. energy: -1.972
local terms energy: -711.678675
where:
bonds (distance) C4'-P energy: -149.138
bonds (distance) P-C4' energy: -150.896
flat angles C4'-P-C4' energy: -146.776
flat angles P-C4'-P energy: -101.088
tors. eta vs tors. theta energy: -163.781
Dist. restrs. and SS energy: 2.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2059.869645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.869645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.984492 (E_RNA)
where:
Base-Base interactions energy: -1400.901
where: short stacking energy: -587.077
Base-Backbone interact. energy: 1.755
local terms energy: -663.838507
where:
bonds (distance) C4'-P energy: -131.029
bonds (distance) P-C4' energy: -135.347
flat angles C4'-P-C4' energy: -146.275
flat angles P-C4'-P energy: -90.683
tors. eta vs tors. theta energy: -160.505
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1983.756658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.756658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.947683 (E_RNA)
where:
Base-Base interactions energy: -1330.631
where: short stacking energy: -562.186
Base-Backbone interact. energy: 0.606
local terms energy: -656.922777
where:
bonds (distance) C4'-P energy: -148.544
bonds (distance) P-C4' energy: -123.083
flat angles C4'-P-C4' energy: -155.471
flat angles P-C4'-P energy: -79.979
tors. eta vs tors. theta energy: -149.846
Dist. restrs. and SS energy: 3.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1858.111210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.111210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.317599 (E_RNA)
where:
Base-Base interactions energy: -1294.449
where: short stacking energy: -553.885
Base-Backbone interact. energy: -2.393
local terms energy: -563.475977
where:
bonds (distance) C4'-P energy: -82.187
bonds (distance) P-C4' energy: -114.470
flat angles C4'-P-C4' energy: -137.110
flat angles P-C4'-P energy: -86.734
tors. eta vs tors. theta energy: -142.974
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: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2901.454538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.454538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.340296 (E_RNA)
where:
Base-Base interactions energy: -2038.793
where: short stacking energy: -858.820
Base-Backbone interact. energy: -2.115
local terms energy: -861.432703
where:
bonds (distance) C4'-P energy: -152.622
bonds (distance) P-C4' energy: -156.181
flat angles C4'-P-C4' energy: -184.787
flat angles P-C4'-P energy: -121.280
tors. eta vs tors. theta energy: -246.563
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2805.060742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.060742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.445548 (E_RNA)
where:
Base-Base interactions energy: -1953.208
where: short stacking energy: -831.168
Base-Backbone interact. energy: 2.563
local terms energy: -855.800984
where:
bonds (distance) C4'-P energy: -167.075
bonds (distance) P-C4' energy: -141.226
flat angles C4'-P-C4' energy: -178.221
flat angles P-C4'-P energy: -107.700
tors. eta vs tors. theta energy: -261.579
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: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2646.760473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.760473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.464103 (E_RNA)
where:
Base-Base interactions energy: -1861.238
where: short stacking energy: -770.430
Base-Backbone interact. energy: 1.046
local terms energy: -788.271968
where:
bonds (distance) C4'-P energy: -125.800
bonds (distance) P-C4' energy: -154.341
flat angles C4'-P-C4' energy: -181.285
flat angles P-C4'-P energy: -120.507
tors. eta vs tors. theta energy: -206.340
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: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2516.306356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.306356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.500505 (E_RNA)
where:
Base-Base interactions energy: -1726.351
where: short stacking energy: -729.969
Base-Backbone interact. energy: 2.555
local terms energy: -794.704804
where:
bonds (distance) C4'-P energy: -159.796
bonds (distance) P-C4' energy: -138.156
flat angles C4'-P-C4' energy: -176.321
flat angles P-C4'-P energy: -109.443
tors. eta vs tors. theta energy: -210.989
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: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2350.669662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.669662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.634107 (E_RNA)
where:
Base-Base interactions energy: -1568.056
where: short stacking energy: -675.898
Base-Backbone interact. energy: -1.726
local terms energy: -783.852075
where:
bonds (distance) C4'-P energy: -139.321
bonds (distance) P-C4' energy: -151.710
flat angles C4'-P-C4' energy: -178.381
flat angles P-C4'-P energy: -114.413
tors. eta vs tors. theta energy: -200.027
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: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2199.528666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.528666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.548485 (E_RNA)
where:
Base-Base interactions energy: -1465.999
where: short stacking energy: -640.303
Base-Backbone interact. energy: 6.074
local terms energy: -742.623309
where:
bonds (distance) C4'-P energy: -154.679
bonds (distance) P-C4' energy: -144.626
flat angles C4'-P-C4' energy: -160.107
flat angles P-C4'-P energy: -105.712
tors. eta vs tors. theta energy: -177.500
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: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2093.786648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.786648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.254708 (E_RNA)
where:
Base-Base interactions energy: -1382.014
where: short stacking energy: -610.105
Base-Backbone interact. energy: -0.196
local terms energy: -714.044637
where:
bonds (distance) C4'-P energy: -136.876
bonds (distance) P-C4' energy: -151.478
flat angles C4'-P-C4' energy: -152.929
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -170.364
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2007.390355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.390355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.035150 (E_RNA)
where:
Base-Base interactions energy: -1407.423
where: short stacking energy: -604.267
Base-Backbone interact. energy: 5.205
local terms energy: -606.816471
where:
bonds (distance) C4'-P energy: -121.694
bonds (distance) P-C4' energy: -111.108
flat angles C4'-P-C4' energy: -138.706
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -150.182
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: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1948.759213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.759213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.950768 (E_RNA)
where:
Base-Base interactions energy: -1332.289
where: short stacking energy: -544.669
Base-Backbone interact. energy: -3.887
local terms energy: -615.774826
where:
bonds (distance) C4'-P energy: -130.879
bonds (distance) P-C4' energy: -113.154
flat angles C4'-P-C4' energy: -153.531
flat angles P-C4'-P energy: -91.532
tors. eta vs tors. theta energy: -126.679
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: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1827.329751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.329751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.517208 (E_RNA)
where:
Base-Base interactions energy: -1242.962
where: short stacking energy: -520.983
Base-Backbone interact. energy: -1.467
local terms energy: -588.088487
where:
bonds (distance) C4'-P energy: -121.004
bonds (distance) P-C4' energy: -138.719
flat angles C4'-P-C4' energy: -131.976
flat angles P-C4'-P energy: -67.434
tors. eta vs tors. theta energy: -128.955
Dist. restrs. and SS energy: 5.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2897.927568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.927568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.905877 (E_RNA)
where:
Base-Base interactions energy: -2011.017
where: short stacking energy: -856.402
Base-Backbone interact. energy: -5.755
local terms energy: -882.133324
where:
bonds (distance) C4'-P energy: -165.503
bonds (distance) P-C4' energy: -161.547
flat angles C4'-P-C4' energy: -194.505
flat angles P-C4'-P energy: -113.891
tors. eta vs tors. theta energy: -246.686
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: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2811.632964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.288675 (E_RNA)
where:
Base-Base interactions energy: -1950.454
where: short stacking energy: -809.498
Base-Backbone interact. energy: 5.426
local terms energy: -868.260684
where:
bonds (distance) C4'-P energy: -158.936
bonds (distance) P-C4' energy: -163.888
flat angles C4'-P-C4' energy: -173.125
flat angles P-C4'-P energy: -126.537
tors. eta vs tors. theta energy: -245.774
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: 3, replica: 9
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2713.772684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.772684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.095699 (E_RNA)
where:
Base-Base interactions energy: -1895.092
where: short stacking energy: -772.142
Base-Backbone interact. energy: 3.306
local terms energy: -823.309876
where:
bonds (distance) C4'-P energy: -143.123
bonds (distance) P-C4' energy: -161.351
flat angles C4'-P-C4' energy: -174.280
flat angles P-C4'-P energy: -128.335
tors. eta vs tors. theta energy: -216.221
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: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2548.198620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.198620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.094799 (E_RNA)
where:
Base-Base interactions energy: -1756.997
where: short stacking energy: -737.721
Base-Backbone interact. energy: -0.771
local terms energy: -793.326835
where:
bonds (distance) C4'-P energy: -131.912
bonds (distance) P-C4' energy: -160.245
flat angles C4'-P-C4' energy: -161.324
flat angles P-C4'-P energy: -120.242
tors. eta vs tors. theta energy: -219.605
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: 5, replica: 8
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2358.368120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.368120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.611283 (E_RNA)
where:
Base-Base interactions energy: -1621.202
where: short stacking energy: -685.730
Base-Backbone interact. energy: -3.237
local terms energy: -736.171648
where:
bonds (distance) C4'-P energy: -148.166
bonds (distance) P-C4' energy: -142.319
flat angles C4'-P-C4' energy: -158.068
flat angles P-C4'-P energy: -96.220
tors. eta vs tors. theta energy: -191.398
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2187.674739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.674739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.239625 (E_RNA)
where:
Base-Base interactions energy: -1459.279
where: short stacking energy: -636.927
Base-Backbone interact. energy: -1.127
local terms energy: -728.833507
where:
bonds (distance) C4'-P energy: -159.834
bonds (distance) P-C4' energy: -149.233
flat angles C4'-P-C4' energy: -159.905
flat angles P-C4'-P energy: -88.429
tors. eta vs tors. theta energy: -171.432
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2092.147908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.147908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.587687 (E_RNA)
where:
Base-Base interactions energy: -1374.641
where: short stacking energy: -605.132
Base-Backbone interact. energy: -2.086
local terms energy: -717.860669
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -137.971
flat angles C4'-P-C4' energy: -173.374
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -176.185
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: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2011.536901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.536901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.381829 (E_RNA)
where:
Base-Base interactions energy: -1340.645
where: short stacking energy: -592.285
Base-Backbone interact. energy: -2.249
local terms energy: -670.487647
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -145.125
flat angles P-C4'-P energy: -95.563
tors. eta vs tors. theta energy: -169.701
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: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1953.385656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.385656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.172871 (E_RNA)
where:
Base-Base interactions energy: -1324.533
where: short stacking energy: -571.586
Base-Backbone interact. energy: 0.419
local terms energy: -631.058896
where:
bonds (distance) C4'-P energy: -100.741
bonds (distance) P-C4' energy: -144.214
flat angles C4'-P-C4' energy: -160.122
flat angles P-C4'-P energy: -83.928
tors. eta vs tors. theta energy: -142.054
Dist. restrs. and SS energy: 1.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1829.123756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.123756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.558424 (E_RNA)
where:
Base-Base interactions energy: -1241.327
where: short stacking energy: -513.203
Base-Backbone interact. energy: 0.277
local terms energy: -593.508616
where:
bonds (distance) C4'-P energy: -122.485
bonds (distance) P-C4' energy: -127.701
flat angles C4'-P-C4' energy: -130.109
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -136.680
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2895.924574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.924574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.217157 (E_RNA)
where:
Base-Base interactions energy: -2017.738
where: short stacking energy: -832.506
Base-Backbone interact. energy: -1.858
local terms energy: -877.621024
where:
bonds (distance) C4'-P energy: -159.256
bonds (distance) P-C4' energy: -163.915
flat angles C4'-P-C4' energy: -190.779
flat angles P-C4'-P energy: -120.446
tors. eta vs tors. theta energy: -243.225
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: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2813.310412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.310412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.416229 (E_RNA)
where:
Base-Base interactions energy: -1982.555
where: short stacking energy: -810.295
Base-Backbone interact. energy: 0.088
local terms energy: -831.948585
where:
bonds (distance) C4'-P energy: -164.051
bonds (distance) P-C4' energy: -137.277
flat angles C4'-P-C4' energy: -164.202
flat angles P-C4'-P energy: -126.099
tors. eta vs tors. theta energy: -240.319
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: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2675.490689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.490689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.435681 (E_RNA)
where:
Base-Base interactions energy: -1860.400
where: short stacking energy: -765.221
Base-Backbone interact. energy: 3.776
local terms energy: -820.811299
where:
bonds (distance) C4'-P energy: -157.269
bonds (distance) P-C4' energy: -160.148
flat angles C4'-P-C4' energy: -178.858
flat angles P-C4'-P energy: -103.202
tors. eta vs tors. theta energy: -221.334
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2599.182237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.182237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.501235 (E_RNA)
where:
Base-Base interactions energy: -1810.987
where: short stacking energy: -770.769
Base-Backbone interact. energy: -1.974
local terms energy: -788.540629
where:
bonds (distance) C4'-P energy: -135.670
bonds (distance) P-C4' energy: -143.816
flat angles C4'-P-C4' energy: -185.061
flat angles P-C4'-P energy: -105.556
tors. eta vs tors. theta energy: -218.438
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: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2350.499769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.499769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.314269 (E_RNA)
where:
Base-Base interactions energy: -1608.654
where: short stacking energy: -716.404
Base-Backbone interact. energy: -4.928
local terms energy: -738.731679
where:
bonds (distance) C4'-P energy: -143.222
bonds (distance) P-C4' energy: -140.963
flat angles C4'-P-C4' energy: -152.201
flat angles P-C4'-P energy: -104.585
tors. eta vs tors. theta energy: -197.761
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: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2191.462564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.462564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.468810 (E_RNA)
where:
Base-Base interactions energy: -1481.886
where: short stacking energy: -641.043
Base-Backbone interact. energy: 6.810
local terms energy: -717.393227
where:
bonds (distance) C4'-P energy: -147.955
bonds (distance) P-C4' energy: -132.147
flat angles C4'-P-C4' energy: -150.664
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -184.325
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2041.784378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.784378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.463193 (E_RNA)
where:
Base-Base interactions energy: -1391.874
where: short stacking energy: -588.481
Base-Backbone interact. energy: -5.553
local terms energy: -647.035423
where:
bonds (distance) C4'-P energy: -119.861
bonds (distance) P-C4' energy: -152.580
flat angles C4'-P-C4' energy: -151.895
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -147.369
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2036.896093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.896093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.512005 (E_RNA)
where:
Base-Base interactions energy: -1402.445
where: short stacking energy: -603.793
Base-Backbone interact. energy: 2.401
local terms energy: -639.467839
where:
bonds (distance) C4'-P energy: -126.163
bonds (distance) P-C4' energy: -134.226
flat angles C4'-P-C4' energy: -142.790
flat angles P-C4'-P energy: -89.984
tors. eta vs tors. theta energy: -146.306
Dist. restrs. and SS energy: 2.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1950.553347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.553347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.125348 (E_RNA)
where:
Base-Base interactions energy: -1337.064
where: short stacking energy: -572.485
Base-Backbone interact. energy: 8.399
local terms energy: -624.460660
where:
bonds (distance) C4'-P energy: -121.868
bonds (distance) P-C4' energy: -152.484
flat angles C4'-P-C4' energy: -133.278
flat angles P-C4'-P energy: -72.439
tors. eta vs tors. theta energy: -144.392
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: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1816.576513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.576513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.581796 (E_RNA)
where:
Base-Base interactions energy: -1203.010
where: short stacking energy: -505.433
Base-Backbone interact. energy: -2.278
local terms energy: -618.293560
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -135.606
flat angles C4'-P-C4' energy: -139.695
flat angles P-C4'-P energy: -90.576
tors. eta vs tors. theta energy: -130.003
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2890.458190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.458190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.120036 (E_RNA)
where:
Base-Base interactions energy: -2026.649
where: short stacking energy: -859.979
Base-Backbone interact. energy: -1.128
local terms energy: -864.343301
where:
bonds (distance) C4'-P energy: -133.357
bonds (distance) P-C4' energy: -154.607
flat angles C4'-P-C4' energy: -186.797
flat angles P-C4'-P energy: -130.875
tors. eta vs tors. theta energy: -258.707
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2778.101497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.101497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.444234 (E_RNA)
where:
Base-Base interactions energy: -1902.712
where: short stacking energy: -782.452
Base-Backbone interact. energy: 1.068
local terms energy: -878.800077
where:
bonds (distance) C4'-P energy: -157.103
bonds (distance) P-C4' energy: -164.260
flat angles C4'-P-C4' energy: -187.191
flat angles P-C4'-P energy: -129.159
tors. eta vs tors. theta energy: -241.087
Dist. restrs. and SS energy: 2.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2682.245475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.245475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.466286 (E_RNA)
where:
Base-Base interactions energy: -1867.396
where: short stacking energy: -769.948
Base-Backbone interact. energy: -2.896
local terms energy: -813.174006
where:
bonds (distance) C4'-P energy: -137.887
bonds (distance) P-C4' energy: -168.370
flat angles C4'-P-C4' energy: -177.660
flat angles P-C4'-P energy: -111.113
tors. eta vs tors. theta energy: -218.143
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2631.450180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.450180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.762450 (E_RNA)
where:
Base-Base interactions energy: -1842.884
where: short stacking energy: -741.389
Base-Backbone interact. energy: -0.024
local terms energy: -789.853932
where:
bonds (distance) C4'-P energy: -162.421
bonds (distance) P-C4' energy: -149.083
flat angles C4'-P-C4' energy: -156.629
flat angles P-C4'-P energy: -96.429
tors. eta vs tors. theta energy: -225.293
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: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2365.293639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.293639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.816928 (E_RNA)
where:
Base-Base interactions energy: -1601.184
where: short stacking energy: -686.886
Base-Backbone interact. energy: -0.604
local terms energy: -766.029021
where:
bonds (distance) C4'-P energy: -140.775
bonds (distance) P-C4' energy: -149.548
flat angles C4'-P-C4' energy: -164.803
flat angles P-C4'-P energy: -115.206
tors. eta vs tors. theta energy: -195.697
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: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2203.933848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.933848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.197920 (E_RNA)
where:
Base-Base interactions energy: -1494.323
where: short stacking energy: -647.804
Base-Backbone interact. energy: -2.119
local terms energy: -710.755170
where:
bonds (distance) C4'-P energy: -127.129
bonds (distance) P-C4' energy: -147.568
flat angles C4'-P-C4' energy: -163.306
flat angles P-C4'-P energy: -106.450
tors. eta vs tors. theta energy: -166.302
Dist. restrs. and SS energy: 3.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2077.440498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.440498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.787444 (E_RNA)
where:
Base-Base interactions energy: -1389.092
where: short stacking energy: -623.000
Base-Backbone interact. energy: -1.887
local terms energy: -688.809176
where:
bonds (distance) C4'-P energy: -131.358
bonds (distance) P-C4' energy: -141.844
flat angles C4'-P-C4' energy: -149.055
flat angles P-C4'-P energy: -105.837
tors. eta vs tors. theta energy: -160.716
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2012.411596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.223625 (E_RNA)
where:
Base-Base interactions energy: -1380.696
where: short stacking energy: -594.203
Base-Backbone interact. energy: 0.000
local terms energy: -633.527850
where:
bonds (distance) C4'-P energy: -120.108
bonds (distance) P-C4' energy: -137.469
flat angles C4'-P-C4' energy: -127.861
flat angles P-C4'-P energy: -94.242
tors. eta vs tors. theta energy: -153.847
Dist. restrs. and SS energy: 1.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1958.751697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.751697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.150380 (E_RNA)
where:
Base-Base interactions energy: -1350.264
where: short stacking energy: -568.017
Base-Backbone interact. energy: 0.354
local terms energy: -611.241116
where:
bonds (distance) C4'-P energy: -121.000
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -136.218
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -150.972
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: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1816.097081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.097081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.968858 (E_RNA)
where:
Base-Base interactions energy: -1242.950
where: short stacking energy: -522.753
Base-Backbone interact. energy: -1.830
local terms energy: -575.189440
where:
bonds (distance) C4'-P energy: -114.502
bonds (distance) P-C4' energy: -143.347
flat angles C4'-P-C4' energy: -106.788
flat angles P-C4'-P energy: -85.590
tors. eta vs tors. theta energy: -124.963
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: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2902.112537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.112537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.331575 (E_RNA)
where:
Base-Base interactions energy: -2002.967
where: short stacking energy: -859.826
Base-Backbone interact. energy: -1.649
local terms energy: -898.714870
where:
bonds (distance) C4'-P energy: -154.468
bonds (distance) P-C4' energy: -165.981
flat angles C4'-P-C4' energy: -185.559
flat angles P-C4'-P energy: -137.112
tors. eta vs tors. theta energy: -255.596
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: 341
Temperature: 0.950000
Total energy: -2803.895024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.895024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.055858 (E_RNA)
where:
Base-Base interactions energy: -1939.906
where: short stacking energy: -830.582
Base-Backbone interact. energy: -0.071
local terms energy: -866.079566
where:
bonds (distance) C4'-P energy: -145.169
bonds (distance) P-C4' energy: -146.067
flat angles C4'-P-C4' energy: -194.938
flat angles P-C4'-P energy: -122.547
tors. eta vs tors. theta energy: -257.359
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2720.544910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.544910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.459569 (E_RNA)
where:
Base-Base interactions energy: -1894.281
where: short stacking energy: -774.469
Base-Backbone interact. energy: -3.290
local terms energy: -823.888217
where:
bonds (distance) C4'-P energy: -141.670
bonds (distance) P-C4' energy: -165.707
flat angles C4'-P-C4' energy: -177.698
flat angles P-C4'-P energy: -120.910
tors. eta vs tors. theta energy: -217.903
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: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2593.103379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.103379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.253695 (E_RNA)
where:
Base-Base interactions energy: -1773.669
where: short stacking energy: -736.082
Base-Backbone interact. energy: 2.686
local terms energy: -823.270715
where:
bonds (distance) C4'-P energy: -140.551
bonds (distance) P-C4' energy: -165.031
flat angles C4'-P-C4' energy: -176.526
flat angles P-C4'-P energy: -117.705
tors. eta vs tors. theta energy: -223.457
Dist. restrs. and SS energy: 1.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2319.740519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.740519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.854126 (E_RNA)
where:
Base-Base interactions energy: -1620.164
where: short stacking energy: -694.516
Base-Backbone interact. energy: -1.216
local terms energy: -701.474408
where:
bonds (distance) C4'-P energy: -117.273
bonds (distance) P-C4' energy: -140.681
flat angles C4'-P-C4' energy: -167.637
flat angles P-C4'-P energy: -94.133
tors. eta vs tors. theta energy: -181.751
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: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2176.696236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.696236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.226000 (E_RNA)
where:
Base-Base interactions energy: -1461.413
where: short stacking energy: -640.089
Base-Backbone interact. energy: 7.501
local terms energy: -725.314062
where:
bonds (distance) C4'-P energy: -128.269
bonds (distance) P-C4' energy: -153.509
flat angles C4'-P-C4' energy: -159.115
flat angles P-C4'-P energy: -100.833
tors. eta vs tors. theta energy: -183.588
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2076.840726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.840726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.684421 (E_RNA)
where:
Base-Base interactions energy: -1388.788
where: short stacking energy: -597.665
Base-Backbone interact. energy: -1.798
local terms energy: -688.098305
where:
bonds (distance) C4'-P energy: -123.771
bonds (distance) P-C4' energy: -153.611
flat angles C4'-P-C4' energy: -149.535
flat angles P-C4'-P energy: -104.411
tors. eta vs tors. theta energy: -156.770
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: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2023.143043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.143043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.152844 (E_RNA)
where:
Base-Base interactions energy: -1389.767
where: short stacking energy: -614.911
Base-Backbone interact. energy: 0.203
local terms energy: -636.589330
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -107.189
flat angles C4'-P-C4' energy: -154.347
flat angles P-C4'-P energy: -92.828
tors. eta vs tors. theta energy: -162.648
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: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1897.825592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.825592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.376522 (E_RNA)
where:
Base-Base interactions energy: -1296.726
where: short stacking energy: -509.738
Base-Backbone interact. energy: 2.905
local terms energy: -606.556486
where:
bonds (distance) C4'-P energy: -125.264
bonds (distance) P-C4' energy: -129.708
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -79.056
tors. eta vs tors. theta energy: -122.661
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1829.244073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.244073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.898788 (E_RNA)
where:
Base-Base interactions energy: -1245.856
where: short stacking energy: -516.571
Base-Backbone interact. energy: -3.365
local terms energy: -584.677654
where:
bonds (distance) C4'-P energy: -115.343
bonds (distance) P-C4' energy: -142.871
flat angles C4'-P-C4' energy: -126.751
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -140.446
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2926.832257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.832257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.641771 (E_RNA)
where:
Base-Base interactions energy: -2057.466
where: short stacking energy: -856.059
Base-Backbone interact. energy: -1.149
local terms energy: -870.026975
where:
bonds (distance) C4'-P energy: -156.386
bonds (distance) P-C4' energy: -159.245
flat angles C4'-P-C4' energy: -185.080
flat angles P-C4'-P energy: -117.391
tors. eta vs tors. theta energy: -251.925
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: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2809.449336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.449336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.240937 (E_RNA)
where:
Base-Base interactions energy: -1915.091
where: short stacking energy: -807.883
Base-Backbone interact. energy: 1.128
local terms energy: -898.277349
where:
bonds (distance) C4'-P energy: -160.689
bonds (distance) P-C4' energy: -166.511
flat angles C4'-P-C4' energy: -185.163
flat angles P-C4'-P energy: -133.446
tors. eta vs tors. theta energy: -252.469
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2671.425974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.425974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.739686 (E_RNA)
where:
Base-Base interactions energy: -1851.887
where: short stacking energy: -766.717
Base-Backbone interact. energy: -2.364
local terms energy: -819.488599
where:
bonds (distance) C4'-P energy: -147.305
bonds (distance) P-C4' energy: -153.012
flat angles C4'-P-C4' energy: -176.768
flat angles P-C4'-P energy: -124.550
tors. eta vs tors. theta energy: -217.854
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2629.303227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.303227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.915081 (E_RNA)
where:
Base-Base interactions energy: -1818.806
where: short stacking energy: -764.523
Base-Backbone interact. energy: 1.962
local terms energy: -814.070611
where:
bonds (distance) C4'-P energy: -139.161
bonds (distance) P-C4' energy: -148.295
flat angles C4'-P-C4' energy: -190.380
flat angles P-C4'-P energy: -115.141
tors. eta vs tors. theta energy: -221.094
Dist. restrs. and SS energy: 1.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2351.182883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.182883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.022824 (E_RNA)
where:
Base-Base interactions energy: -1610.227
where: short stacking energy: -660.032
Base-Backbone interact. energy: 0.163
local terms energy: -742.958876
where:
bonds (distance) C4'-P energy: -135.708
bonds (distance) P-C4' energy: -147.589
flat angles C4'-P-C4' energy: -170.307
flat angles P-C4'-P energy: -100.659
tors. eta vs tors. theta energy: -188.696
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2186.450903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.450903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.935314 (E_RNA)
where:
Base-Base interactions energy: -1470.951
where: short stacking energy: -641.795
Base-Backbone interact. energy: 0.943
local terms energy: -717.926887
where:
bonds (distance) C4'-P energy: -131.239
bonds (distance) P-C4' energy: -154.955
flat angles C4'-P-C4' energy: -148.211
flat angles P-C4'-P energy: -102.268
tors. eta vs tors. theta energy: -181.253
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2068.365859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.365859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.463198 (E_RNA)
where:
Base-Base interactions energy: -1397.295
where: short stacking energy: -613.590
Base-Backbone interact. energy: -2.672
local terms energy: -670.495780
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -133.342
flat angles C4'-P-C4' energy: -144.492
flat angles P-C4'-P energy: -100.557
tors. eta vs tors. theta energy: -161.967
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: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1955.075617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.075617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.025673 (E_RNA)
where:
Base-Base interactions energy: -1318.341
where: short stacking energy: -560.047
Base-Backbone interact. energy: -3.833
local terms energy: -635.852117
where:
bonds (distance) C4'-P energy: -108.759
bonds (distance) P-C4' energy: -134.976
flat angles C4'-P-C4' energy: -142.476
flat angles P-C4'-P energy: -101.919
tors. eta vs tors. theta energy: -147.721
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: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1964.917022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.917022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.039440 (E_RNA)
where:
Base-Base interactions energy: -1333.488
where: short stacking energy: -558.789
Base-Backbone interact. energy: -1.026
local terms energy: -632.525445
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -136.518
flat angles C4'-P-C4' energy: -136.114
flat angles P-C4'-P energy: -91.790
tors. eta vs tors. theta energy: -142.755
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: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1835.161956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.161956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.254090 (E_RNA)
where:
Base-Base interactions energy: -1273.873
where: short stacking energy: -536.301
Base-Backbone interact. energy: -4.067
local terms energy: -560.313202
where:
bonds (distance) C4'-P energy: -121.149
bonds (distance) P-C4' energy: -121.037
flat angles C4'-P-C4' energy: -111.839
flat angles P-C4'-P energy: -80.919
tors. eta vs tors. theta energy: -125.370
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2896.513086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.513086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.812008 (E_RNA)
where:
Base-Base interactions energy: -2014.212
where: short stacking energy: -831.049
Base-Backbone interact. energy: -2.091
local terms energy: -882.509451
where:
bonds (distance) C4'-P energy: -161.326
bonds (distance) P-C4' energy: -161.235
flat angles C4'-P-C4' energy: -187.875
flat angles P-C4'-P energy: -130.981
tors. eta vs tors. theta energy: -241.093
Dist. restrs. and SS energy: 2.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2826.609965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.609965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.258362 (E_RNA)
where:
Base-Base interactions energy: -1944.027
where: short stacking energy: -823.766
Base-Backbone interact. energy: 5.112
local terms energy: -890.343087
where:
bonds (distance) C4'-P energy: -167.814
bonds (distance) P-C4' energy: -144.670
flat angles C4'-P-C4' energy: -193.749
flat angles P-C4'-P energy: -131.195
tors. eta vs tors. theta energy: -252.914
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2666.163734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.163734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.377274 (E_RNA)
where:
Base-Base interactions energy: -1826.768
where: short stacking energy: -757.369
Base-Backbone interact. energy: -2.645
local terms energy: -838.964215
where:
bonds (distance) C4'-P energy: -158.516
bonds (distance) P-C4' energy: -149.598
flat angles C4'-P-C4' energy: -190.117
flat angles P-C4'-P energy: -125.881
tors. eta vs tors. theta energy: -214.851
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2580.274020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.274020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.008138 (E_RNA)
where:
Base-Base interactions energy: -1779.397
where: short stacking energy: -750.189
Base-Backbone interact. energy: -2.189
local terms energy: -800.422707
where:
bonds (distance) C4'-P energy: -157.658
bonds (distance) P-C4' energy: -142.301
flat angles C4'-P-C4' energy: -172.540
flat angles P-C4'-P energy: -121.071
tors. eta vs tors. theta energy: -206.853
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: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2323.403633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.403633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.961408 (E_RNA)
where:
Base-Base interactions energy: -1583.552
where: short stacking energy: -690.609
Base-Backbone interact. energy: 1.548
local terms energy: -743.956854
where:
bonds (distance) C4'-P energy: -148.676
bonds (distance) P-C4' energy: -144.658
flat angles C4'-P-C4' energy: -161.383
flat angles P-C4'-P energy: -102.262
tors. eta vs tors. theta energy: -186.977
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: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2156.757664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.757664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.886637 (E_RNA)
where:
Base-Base interactions energy: -1433.427
where: short stacking energy: -644.823
Base-Backbone interact. energy: 1.752
local terms energy: -727.211389
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -152.538
flat angles C4'-P-C4' energy: -150.675
flat angles P-C4'-P energy: -101.442
tors. eta vs tors. theta energy: -180.290
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: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2074.960216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.960216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.861877 (E_RNA)
where:
Base-Base interactions energy: -1404.723
where: short stacking energy: -609.280
Base-Backbone interact. energy: 3.181
local terms energy: -677.319684
where:
bonds (distance) C4'-P energy: -141.931
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -155.124
flat angles P-C4'-P energy: -94.896
tors. eta vs tors. theta energy: -169.174
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2017.311924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.311924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.261540 (E_RNA)
where:
Base-Base interactions energy: -1342.829
where: short stacking energy: -578.374
Base-Backbone interact. energy: 1.709
local terms energy: -678.140976
where:
bonds (distance) C4'-P energy: -129.452
bonds (distance) P-C4' energy: -146.612
flat angles C4'-P-C4' energy: -123.236
flat angles P-C4'-P energy: -106.840
tors. eta vs tors. theta energy: -172.001
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: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1897.767569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.767569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.421814 (E_RNA)
where:
Base-Base interactions energy: -1296.374
where: short stacking energy: -541.379
Base-Backbone interact. energy: 5.100
local terms energy: -613.147100
where:
bonds (distance) C4'-P energy: -131.353
bonds (distance) P-C4' energy: -122.129
flat angles C4'-P-C4' energy: -143.813
flat angles P-C4'-P energy: -77.524
tors. eta vs tors. theta energy: -138.329
Dist. restrs. and SS energy: 6.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1829.129429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.129429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.779585 (E_RNA)
where:
Base-Base interactions energy: -1220.177
where: short stacking energy: -504.144
Base-Backbone interact. energy: 3.025
local terms energy: -617.627139
where:
bonds (distance) C4'-P energy: -126.620
bonds (distance) P-C4' energy: -128.892
flat angles C4'-P-C4' energy: -138.997
flat angles P-C4'-P energy: -86.301
tors. eta vs tors. theta energy: -136.816
Dist. restrs. and SS energy: 5.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2919.957775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.957775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.953446 (E_RNA)
where:
Base-Base interactions energy: -2045.750
where: short stacking energy: -838.703
Base-Backbone interact. energy: -2.591
local terms energy: -874.612366
where:
bonds (distance) C4'-P energy: -176.830
bonds (distance) P-C4' energy: -154.807
flat angles C4'-P-C4' energy: -180.804
flat angles P-C4'-P energy: -116.884
tors. eta vs tors. theta energy: -245.288
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: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2803.540254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.540254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.937761 (E_RNA)
where:
Base-Base interactions energy: -1923.012
where: short stacking energy: -826.720
Base-Backbone interact. energy: -1.565
local terms energy: -881.361192
where:
bonds (distance) C4'-P energy: -160.054
bonds (distance) P-C4' energy: -150.520
flat angles C4'-P-C4' energy: -190.426
flat angles P-C4'-P energy: -124.582
tors. eta vs tors. theta energy: -255.779
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: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2727.132043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.132043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.880487 (E_RNA)
where:
Base-Base interactions energy: -1888.337
where: short stacking energy: -799.616
Base-Backbone interact. energy: -5.111
local terms energy: -835.432481
where:
bonds (distance) C4'-P energy: -159.541
bonds (distance) P-C4' energy: -149.126
flat angles C4'-P-C4' energy: -189.011
flat angles P-C4'-P energy: -112.564
tors. eta vs tors. theta energy: -225.189
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: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2623.791983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.791983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.662200 (E_RNA)
where:
Base-Base interactions energy: -1793.606
where: short stacking energy: -738.848
Base-Backbone interact. energy: -4.284
local terms energy: -827.772336
where:
bonds (distance) C4'-P energy: -149.764
bonds (distance) P-C4' energy: -155.580
flat angles C4'-P-C4' energy: -183.985
flat angles P-C4'-P energy: -128.679
tors. eta vs tors. theta energy: -209.764
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2348.132008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.132008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.370248 (E_RNA)
where:
Base-Base interactions energy: -1577.315
where: short stacking energy: -669.403
Base-Backbone interact. energy: 1.405
local terms energy: -773.460348
where:
bonds (distance) C4'-P energy: -146.495
bonds (distance) P-C4' energy: -151.074
flat angles C4'-P-C4' energy: -170.623
flat angles P-C4'-P energy: -117.465
tors. eta vs tors. theta energy: -187.803
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2208.317094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.317094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.016113 (E_RNA)
where:
Base-Base interactions energy: -1483.040
where: short stacking energy: -650.241
Base-Backbone interact. energy: -0.911
local terms energy: -726.064455
where:
bonds (distance) C4'-P energy: -124.975
bonds (distance) P-C4' energy: -145.034
flat angles C4'-P-C4' energy: -170.598
flat angles P-C4'-P energy: -111.414
tors. eta vs tors. theta energy: -174.043
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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2116.434235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.434235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.849323 (E_RNA)
where:
Base-Base interactions energy: -1431.272
where: short stacking energy: -616.721
Base-Backbone interact. energy: 2.173
local terms energy: -690.749874
where:
bonds (distance) C4'-P energy: -134.228
bonds (distance) P-C4' energy: -147.637
flat angles C4'-P-C4' energy: -149.890
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -165.532
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: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2030.462599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.462599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.144565 (E_RNA)
where:
Base-Base interactions energy: -1387.180
where: short stacking energy: -596.673
Base-Backbone interact. energy: 1.805
local terms energy: -649.769019
where:
bonds (distance) C4'-P energy: -117.191
bonds (distance) P-C4' energy: -130.613
flat angles C4'-P-C4' energy: -135.182
flat angles P-C4'-P energy: -110.091
tors. eta vs tors. theta energy: -156.692
Dist. restrs. and SS energy: 4.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1953.316076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.316076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.546241 (E_RNA)
where:
Base-Base interactions energy: -1349.374
where: short stacking energy: -567.780
Base-Backbone interact. energy: -1.832
local terms energy: -606.339584
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -139.477
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -78.440
tors. eta vs tors. theta energy: -140.482
Dist. restrs. and SS energy: 4.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1845.957028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.957028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.033377 (E_RNA)
where:
Base-Base interactions energy: -1258.520
where: short stacking energy: -507.312
Base-Backbone interact. energy: -2.995
local terms energy: -589.518363
where:
bonds (distance) C4'-P energy: -113.344
bonds (distance) P-C4' energy: -126.179
flat angles C4'-P-C4' energy: -147.064
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -124.931
Dist. restrs. and SS energy: 5.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2927.811358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.811358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.654537 (E_RNA)
where:
Base-Base interactions energy: -2038.371
where: short stacking energy: -845.899
Base-Backbone interact. energy: -1.567
local terms energy: -889.716151
where:
bonds (distance) C4'-P energy: -161.399
bonds (distance) P-C4' energy: -159.633
flat angles C4'-P-C4' energy: -199.971
flat angles P-C4'-P energy: -113.244
tors. eta vs tors. theta energy: -255.469
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: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2778.148646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.148646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.051223 (E_RNA)
where:
Base-Base interactions energy: -1908.160
where: short stacking energy: -805.986
Base-Backbone interact. energy: -1.423
local terms energy: -870.468384
where:
bonds (distance) C4'-P energy: -146.665
bonds (distance) P-C4' energy: -165.414
flat angles C4'-P-C4' energy: -182.573
flat angles P-C4'-P energy: -124.968
tors. eta vs tors. theta energy: -250.848
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: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2676.305892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.305892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.772570 (E_RNA)
where:
Base-Base interactions energy: -1871.900
where: short stacking energy: -790.039
Base-Backbone interact. energy: 2.618
local terms energy: -808.490677
where:
bonds (distance) C4'-P energy: -151.541
bonds (distance) P-C4' energy: -151.815
flat angles C4'-P-C4' energy: -157.831
flat angles P-C4'-P energy: -115.076
tors. eta vs tors. theta energy: -232.228
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: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2605.366537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.366537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.286310 (E_RNA)
where:
Base-Base interactions energy: -1798.464
where: short stacking energy: -766.242
Base-Backbone interact. energy: 2.422
local terms energy: -812.243582
where:
bonds (distance) C4'-P energy: -146.113
bonds (distance) P-C4' energy: -147.286
flat angles C4'-P-C4' energy: -173.391
flat angles P-C4'-P energy: -111.215
tors. eta vs tors. theta energy: -234.238
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2346.345094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.345094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.037013 (E_RNA)
where:
Base-Base interactions energy: -1587.621
where: short stacking energy: -677.509
Base-Backbone interact. energy: 2.661
local terms energy: -763.077401
where:
bonds (distance) C4'-P energy: -149.007
bonds (distance) P-C4' energy: -157.661
flat angles C4'-P-C4' energy: -161.974
flat angles P-C4'-P energy: -117.134
tors. eta vs tors. theta energy: -177.302
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: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2190.437040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.437040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.122855 (E_RNA)
where:
Base-Base interactions energy: -1479.715
where: short stacking energy: -633.243
Base-Backbone interact. energy: -0.213
local terms energy: -713.195193
where:
bonds (distance) C4'-P energy: -161.584
bonds (distance) P-C4' energy: -110.432
flat angles C4'-P-C4' energy: -154.527
flat angles P-C4'-P energy: -110.042
tors. eta vs tors. theta energy: -176.610
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: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2083.816547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.816547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.455459 (E_RNA)
where:
Base-Base interactions energy: -1371.303
where: short stacking energy: -598.388
Base-Backbone interact. energy: -0.317
local terms energy: -714.835287
where:
bonds (distance) C4'-P energy: -139.999
bonds (distance) P-C4' energy: -168.140
flat angles C4'-P-C4' energy: -153.547
flat angles P-C4'-P energy: -93.075
tors. eta vs tors. theta energy: -160.073
Dist. restrs. and SS energy: 2.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2072.206389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.206389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.156496 (E_RNA)
where:
Base-Base interactions energy: -1399.240
where: short stacking energy: -595.269
Base-Backbone interact. energy: -3.353
local terms energy: -672.563423
where:
bonds (distance) C4'-P energy: -130.218
bonds (distance) P-C4' energy: -122.258
flat angles C4'-P-C4' energy: -140.700
flat angles P-C4'-P energy: -107.284
tors. eta vs tors. theta energy: -172.102
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: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1947.490610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.490610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.572715 (E_RNA)
where:
Base-Base interactions energy: -1352.546
where: short stacking energy: -577.557
Base-Backbone interact. energy: 4.074
local terms energy: -603.100921
where:
bonds (distance) C4'-P energy: -108.720
bonds (distance) P-C4' energy: -134.617
flat angles C4'-P-C4' energy: -142.802
flat angles P-C4'-P energy: -72.321
tors. eta vs tors. theta energy: -144.640
Dist. restrs. and SS energy: 4.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1895.277138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.277138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.344198 (E_RNA)
where:
Base-Base interactions energy: -1269.183
where: short stacking energy: -529.984
Base-Backbone interact. energy: 9.035
local terms energy: -640.195972
where:
bonds (distance) C4'-P energy: -131.542
bonds (distance) P-C4' energy: -138.655
flat angles C4'-P-C4' energy: -132.642
flat angles P-C4'-P energy: -81.886
tors. eta vs tors. theta energy: -155.471
Dist. restrs. and SS energy: 5.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2921.699012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.699012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.986473 (E_RNA)
where:
Base-Base interactions energy: -2041.670
where: short stacking energy: -868.736
Base-Backbone interact. energy: 2.302
local terms energy: -884.617932
where:
bonds (distance) C4'-P energy: -165.099
bonds (distance) P-C4' energy: -162.646
flat angles C4'-P-C4' energy: -180.973
flat angles P-C4'-P energy: -119.804
tors. eta vs tors. theta energy: -256.096
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: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2806.732901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.732901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.437213 (E_RNA)
where:
Base-Base interactions energy: -1931.869
where: short stacking energy: -852.167
Base-Backbone interact. energy: -2.901
local terms energy: -873.666990
where:
bonds (distance) C4'-P energy: -165.502
bonds (distance) P-C4' energy: -159.128
flat angles C4'-P-C4' energy: -185.734
flat angles P-C4'-P energy: -113.549
tors. eta vs tors. theta energy: -249.754
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: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2664.275718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.275718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.420411 (E_RNA)
where:
Base-Base interactions energy: -1850.271
where: short stacking energy: -766.286
Base-Backbone interact. energy: -1.271
local terms energy: -814.878193
where:
bonds (distance) C4'-P energy: -156.652
bonds (distance) P-C4' energy: -145.713
flat angles C4'-P-C4' energy: -169.270
flat angles P-C4'-P energy: -121.441
tors. eta vs tors. theta energy: -221.802
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2626.940661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.940661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.487050 (E_RNA)
where:
Base-Base interactions energy: -1807.414
where: short stacking energy: -751.439
Base-Backbone interact. energy: -1.468
local terms energy: -819.605496
where:
bonds (distance) C4'-P energy: -162.616
bonds (distance) P-C4' energy: -147.994
flat angles C4'-P-C4' energy: -171.685
flat angles P-C4'-P energy: -123.768
tors. eta vs tors. theta energy: -213.542
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2324.294786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.294786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.944418 (E_RNA)
where:
Base-Base interactions energy: -1575.141
where: short stacking energy: -696.621
Base-Backbone interact. energy: 2.988
local terms energy: -754.791659
where:
bonds (distance) C4'-P energy: -130.357
bonds (distance) P-C4' energy: -145.647
flat angles C4'-P-C4' energy: -170.748
flat angles P-C4'-P energy: -106.347
tors. eta vs tors. theta energy: -201.693
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: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2162.567777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.567777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.622614 (E_RNA)
where:
Base-Base interactions energy: -1461.088
where: short stacking energy: -619.453
Base-Backbone interact. energy: -2.467
local terms energy: -701.067237
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -127.216
flat angles C4'-P-C4' energy: -164.327
flat angles P-C4'-P energy: -111.066
tors. eta vs tors. theta energy: -170.181
Dist. restrs. and SS energy: 2.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2091.757328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.757328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.912680 (E_RNA)
where:
Base-Base interactions energy: -1395.128
where: short stacking energy: -582.898
Base-Backbone interact. energy: -1.005
local terms energy: -700.779816
where:
bonds (distance) C4'-P energy: -150.694
bonds (distance) P-C4' energy: -148.526
flat angles C4'-P-C4' energy: -150.983
flat angles P-C4'-P energy: -100.643
tors. eta vs tors. theta energy: -149.933
Dist. restrs. and SS energy: 5.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2048.298650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.298650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.145913 (E_RNA)
where:
Base-Base interactions energy: -1354.528
where: short stacking energy: -578.765
Base-Backbone interact. energy: -2.951
local terms energy: -693.666252
where:
bonds (distance) C4'-P energy: -144.828
bonds (distance) P-C4' energy: -139.986
flat angles C4'-P-C4' energy: -151.072
flat angles P-C4'-P energy: -87.015
tors. eta vs tors. theta energy: -170.765
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: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1923.715172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.715172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.287318 (E_RNA)
where:
Base-Base interactions energy: -1292.300
where: short stacking energy: -546.586
Base-Backbone interact. energy: -2.607
local terms energy: -632.380673
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -137.250
flat angles C4'-P-C4' energy: -114.782
flat angles P-C4'-P energy: -109.767
tors. eta vs tors. theta energy: -132.421
Dist. restrs. and SS energy: 3.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1867.774828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.774828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.494346 (E_RNA)
where:
Base-Base interactions energy: -1278.535
where: short stacking energy: -519.934
Base-Backbone interact. energy: 0.124
local terms energy: -593.082746
where:
bonds (distance) C4'-P energy: -136.347
bonds (distance) P-C4' energy: -137.825
flat angles C4'-P-C4' energy: -117.318
flat angles P-C4'-P energy: -79.719
tors. eta vs tors. theta energy: -121.875
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: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2914.931801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.931801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.500369 (E_RNA)
where:
Base-Base interactions energy: -2032.646
where: short stacking energy: -841.070
Base-Backbone interact. energy: 0.601
local terms energy: -885.455590
where:
bonds (distance) C4'-P energy: -144.654
bonds (distance) P-C4' energy: -166.815
flat angles C4'-P-C4' energy: -198.276
flat angles P-C4'-P energy: -131.804
tors. eta vs tors. theta energy: -243.906
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: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2794.507182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.507182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.129319 (E_RNA)
where:
Base-Base interactions energy: -1964.833
where: short stacking energy: -817.720
Base-Backbone interact. energy: 1.730
local terms energy: -833.026667
where:
bonds (distance) C4'-P energy: -145.062
bonds (distance) P-C4' energy: -146.933
flat angles C4'-P-C4' energy: -168.452
flat angles P-C4'-P energy: -122.730
tors. eta vs tors. theta energy: -249.850
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: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2644.095420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.095420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.798343 (E_RNA)
where:
Base-Base interactions energy: -1815.720
where: short stacking energy: -751.402
Base-Backbone interact. energy: 3.248
local terms energy: -834.326140
where:
bonds (distance) C4'-P energy: -145.352
bonds (distance) P-C4' energy: -159.734
flat angles C4'-P-C4' energy: -179.412
flat angles P-C4'-P energy: -135.116
tors. eta vs tors. theta energy: -214.713
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: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2598.468885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.468885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.107803 (E_RNA)
where:
Base-Base interactions energy: -1775.171
where: short stacking energy: -750.812
Base-Backbone interact. energy: -3.187
local terms energy: -822.750105
where:
bonds (distance) C4'-P energy: -152.979
bonds (distance) P-C4' energy: -148.159
flat angles C4'-P-C4' energy: -171.455
flat angles P-C4'-P energy: -123.761
tors. eta vs tors. theta energy: -226.396
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: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2356.171896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.171896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.093710 (E_RNA)
where:
Base-Base interactions energy: -1596.767
where: short stacking energy: -692.519
Base-Backbone interact. energy: 0.015
local terms energy: -761.342232
where:
bonds (distance) C4'-P energy: -144.180
bonds (distance) P-C4' energy: -136.569
flat angles C4'-P-C4' energy: -168.858
flat angles P-C4'-P energy: -109.873
tors. eta vs tors. theta energy: -201.862
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: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2192.630132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.630132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.733607 (E_RNA)
where:
Base-Base interactions energy: -1482.603
where: short stacking energy: -652.238
Base-Backbone interact. energy: -2.993
local terms energy: -709.136830
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -125.337
flat angles C4'-P-C4' energy: -157.117
flat angles P-C4'-P energy: -108.887
tors. eta vs tors. theta energy: -181.558
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: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2107.426789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.426789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.331068 (E_RNA)
where:
Base-Base interactions energy: -1427.130
where: short stacking energy: -629.006
Base-Backbone interact. energy: 0.032
local terms energy: -682.233162
where:
bonds (distance) C4'-P energy: -144.656
bonds (distance) P-C4' energy: -128.797
flat angles C4'-P-C4' energy: -138.982
flat angles P-C4'-P energy: -107.982
tors. eta vs tors. theta energy: -161.816
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: 8, replica: 3
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2024.459774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.459774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.552854 (E_RNA)
where:
Base-Base interactions energy: -1376.950
where: short stacking energy: -594.349
Base-Backbone interact. energy: 0.193
local terms energy: -649.795764
where:
bonds (distance) C4'-P energy: -130.234
bonds (distance) P-C4' energy: -130.529
flat angles C4'-P-C4' energy: -152.139
flat angles P-C4'-P energy: -89.258
tors. eta vs tors. theta energy: -147.636
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1895.178482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.178482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.865246 (E_RNA)
where:
Base-Base interactions energy: -1308.370
where: short stacking energy: -549.209
Base-Backbone interact. energy: -2.120
local terms energy: -587.374842
where:
bonds (distance) C4'-P energy: -126.025
bonds (distance) P-C4' energy: -106.782
flat angles C4'-P-C4' energy: -128.690
flat angles P-C4'-P energy: -88.196
tors. eta vs tors. theta energy: -137.682
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: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1879.678355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.678355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.255837 (E_RNA)
where:
Base-Base interactions energy: -1274.813
where: short stacking energy: -519.548
Base-Backbone interact. energy: -1.719
local terms energy: -612.723427
where:
bonds (distance) C4'-P energy: -117.886
bonds (distance) P-C4' energy: -124.739
flat angles C4'-P-C4' energy: -142.162
flat angles P-C4'-P energy: -99.738
tors. eta vs tors. theta energy: -128.198
Dist. restrs. and SS energy: 9.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2939.782721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.782721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.923577 (E_RNA)
where:
Base-Base interactions energy: -2047.877
where: short stacking energy: -846.853
Base-Backbone interact. energy: -1.220
local terms energy: -892.826872
where:
bonds (distance) C4'-P energy: -162.983
bonds (distance) P-C4' energy: -159.278
flat angles C4'-P-C4' energy: -199.556
flat angles P-C4'-P energy: -116.217
tors. eta vs tors. theta energy: -254.793
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: 348
Temperature: 0.950000
Total energy: -2799.123530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.123530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.167077 (E_RNA)
where:
Base-Base interactions energy: -1933.616
where: short stacking energy: -809.657
Base-Backbone interact. energy: 1.861
local terms energy: -868.412583
where:
bonds (distance) C4'-P energy: -160.527
bonds (distance) P-C4' energy: -162.558
flat angles C4'-P-C4' energy: -179.090
flat angles P-C4'-P energy: -116.487
tors. eta vs tors. theta energy: -249.751
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: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2643.640107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.640107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.520436 (E_RNA)
where:
Base-Base interactions energy: -1848.751
where: short stacking energy: -775.457
Base-Backbone interact. energy: -1.016
local terms energy: -796.754072
where:
bonds (distance) C4'-P energy: -135.451
bonds (distance) P-C4' energy: -153.954
flat angles C4'-P-C4' energy: -176.036
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -218.628
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2575.287504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.287504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.004576 (E_RNA)
where:
Base-Base interactions energy: -1801.211
where: short stacking energy: -751.471
Base-Backbone interact. energy: 1.482
local terms energy: -778.276127
where:
bonds (distance) C4'-P energy: -145.037
bonds (distance) P-C4' energy: -133.753
flat angles C4'-P-C4' energy: -179.096
flat angles P-C4'-P energy: -112.082
tors. eta vs tors. theta energy: -208.309
Dist. restrs. and SS energy: 2.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2367.489883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.489883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.964151 (E_RNA)
where:
Base-Base interactions energy: -1619.480
where: short stacking energy: -683.108
Base-Backbone interact. energy: -0.449
local terms energy: -749.034751
where:
bonds (distance) C4'-P energy: -136.445
bonds (distance) P-C4' energy: -150.360
flat angles C4'-P-C4' energy: -155.782
flat angles P-C4'-P energy: -116.648
tors. eta vs tors. theta energy: -189.799
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: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2194.635439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.635439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.676176 (E_RNA)
where:
Base-Base interactions energy: -1480.182
where: short stacking energy: -658.518
Base-Backbone interact. energy: -3.687
local terms energy: -713.807003
where:
bonds (distance) C4'-P energy: -132.592
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -152.347
flat angles P-C4'-P energy: -116.206
tors. eta vs tors. theta energy: -182.472
Dist. restrs. and SS energy: 3.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2135.347073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.347073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.066539 (E_RNA)
where:
Base-Base interactions energy: -1428.081
where: short stacking energy: -625.771
Base-Backbone interact. energy: 3.475
local terms energy: -713.459992
where:
bonds (distance) C4'-P energy: -128.758
bonds (distance) P-C4' energy: -153.018
flat angles C4'-P-C4' energy: -151.613
flat angles P-C4'-P energy: -99.452
tors. eta vs tors. theta energy: -180.619
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2012.913753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.913753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.741731 (E_RNA)
where:
Base-Base interactions energy: -1348.557
where: short stacking energy: -597.949
Base-Backbone interact. energy: -0.109
local terms energy: -667.074972
where:
bonds (distance) C4'-P energy: -116.711
bonds (distance) P-C4' energy: -138.217
flat angles C4'-P-C4' energy: -156.188
flat angles P-C4'-P energy: -96.879
tors. eta vs tors. theta energy: -159.080
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: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1953.389727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.389727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.456981 (E_RNA)
where:
Base-Base interactions energy: -1339.674
where: short stacking energy: -574.500
Base-Backbone interact. energy: 5.377
local terms energy: -623.160169
where:
bonds (distance) C4'-P energy: -116.464
bonds (distance) P-C4' energy: -145.296
flat angles C4'-P-C4' energy: -136.133
flat angles P-C4'-P energy: -73.499
tors. eta vs tors. theta energy: -151.769
Dist. restrs. and SS energy: 4.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1872.268038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.268038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.677925 (E_RNA)
where:
Base-Base interactions energy: -1257.960
where: short stacking energy: -520.015
Base-Backbone interact. energy: 3.700
local terms energy: -621.418355
where:
bonds (distance) C4'-P energy: -124.468
bonds (distance) P-C4' energy: -133.430
flat angles C4'-P-C4' energy: -159.581
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -124.990
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: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2917.347269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.574090 (E_RNA)
where:
Base-Base interactions energy: -2033.002
where: short stacking energy: -844.088
Base-Backbone interact. energy: -0.372
local terms energy: -886.199739
where:
bonds (distance) C4'-P energy: -172.602
bonds (distance) P-C4' energy: -153.336
flat angles C4'-P-C4' energy: -176.186
flat angles P-C4'-P energy: -129.813
tors. eta vs tors. theta energy: -254.263
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2801.186713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.186713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.386094 (E_RNA)
where:
Base-Base interactions energy: -1922.728
where: short stacking energy: -807.443
Base-Backbone interact. energy: 1.711
local terms energy: -881.368583
where:
bonds (distance) C4'-P energy: -151.446
bonds (distance) P-C4' energy: -166.501
flat angles C4'-P-C4' energy: -187.348
flat angles P-C4'-P energy: -120.037
tors. eta vs tors. theta energy: -256.036
Dist. restrs. and SS energy: 1.199 (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: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2705.705862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.705862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.253515 (E_RNA)
where:
Base-Base interactions energy: -1858.959
where: short stacking energy: -785.262
Base-Backbone interact. energy: -5.641
local terms energy: -842.652656
where:
bonds (distance) C4'-P energy: -150.321
bonds (distance) P-C4' energy: -149.745
flat angles C4'-P-C4' energy: -171.596
flat angles P-C4'-P energy: -132.225
tors. eta vs tors. theta energy: -238.765
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: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2559.874773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.874773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.296030 (E_RNA)
where:
Base-Base interactions energy: -1783.630
where: short stacking energy: -761.665
Base-Backbone interact. energy: -4.685
local terms energy: -773.980762
where:
bonds (distance) C4'-P energy: -125.098
bonds (distance) P-C4' energy: -153.215
flat angles C4'-P-C4' energy: -168.860
flat angles P-C4'-P energy: -116.140
tors. eta vs tors. theta energy: -210.667
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2368.206763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.206763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.783661 (E_RNA)
where:
Base-Base interactions energy: -1630.406
where: short stacking energy: -696.325
Base-Backbone interact. energy: -3.238
local terms energy: -737.139827
where:
bonds (distance) C4'-P energy: -132.123
bonds (distance) P-C4' energy: -148.248
flat angles C4'-P-C4' energy: -175.551
flat angles P-C4'-P energy: -99.741
tors. eta vs tors. theta energy: -181.476
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2152.433968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.433968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.137271 (E_RNA)
where:
Base-Base interactions energy: -1466.940
where: short stacking energy: -636.338
Base-Backbone interact. energy: -3.106
local terms energy: -684.091642
where:
bonds (distance) C4'-P energy: -133.301
bonds (distance) P-C4' energy: -145.165
flat angles C4'-P-C4' energy: -130.802
flat angles P-C4'-P energy: -86.169
tors. eta vs tors. theta energy: -188.654
Dist. restrs. and SS energy: 1.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2136.363218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.363218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.459602 (E_RNA)
where:
Base-Base interactions energy: -1419.322
where: short stacking energy: -598.834
Base-Backbone interact. energy: -2.931
local terms energy: -716.206614
where:
bonds (distance) C4'-P energy: -150.240
bonds (distance) P-C4' energy: -155.257
flat angles C4'-P-C4' energy: -165.539
flat angles P-C4'-P energy: -91.755
tors. eta vs tors. theta energy: -153.415
Dist. restrs. and SS energy: 2.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2051.021320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.021320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.461981 (E_RNA)
where:
Base-Base interactions energy: -1369.661
where: short stacking energy: -583.344
Base-Backbone interact. energy: -2.009
local terms energy: -681.792014
where:
bonds (distance) C4'-P energy: -144.295
bonds (distance) P-C4' energy: -138.104
flat angles C4'-P-C4' energy: -149.981
flat angles P-C4'-P energy: -97.869
tors. eta vs tors. theta energy: -151.542
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: 9, replica: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1928.269184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.269184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.409523 (E_RNA)
where:
Base-Base interactions energy: -1310.653
where: short stacking energy: -554.007
Base-Backbone interact. energy: 0.386
local terms energy: -620.143087
where:
bonds (distance) C4'-P energy: -125.963
bonds (distance) P-C4' energy: -128.214
flat angles C4'-P-C4' energy: -135.346
flat angles P-C4'-P energy: -95.323
tors. eta vs tors. theta energy: -135.297
Dist. restrs. and SS energy: 2.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1913.590346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.590346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.131523 (E_RNA)
where:
Base-Base interactions energy: -1329.600
where: short stacking energy: -549.148
Base-Backbone interact. energy: -0.482
local terms energy: -588.049599
where:
bonds (distance) C4'-P energy: -103.797
bonds (distance) P-C4' energy: -131.051
flat angles C4'-P-C4' energy: -130.943
flat angles P-C4'-P energy: -84.733
tors. eta vs tors. theta energy: -137.525
Dist. restrs. and SS energy: 4.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2884.340723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.340723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.499909 (E_RNA)
where:
Base-Base interactions energy: -1983.084
where: short stacking energy: -843.727
Base-Backbone interact. energy: -2.966
local terms energy: -899.449739
where:
bonds (distance) C4'-P energy: -178.636
bonds (distance) P-C4' energy: -167.030
flat angles C4'-P-C4' energy: -174.972
flat angles P-C4'-P energy: -118.068
tors. eta vs tors. theta energy: -260.743
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2837.167300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.167300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.521413 (E_RNA)
where:
Base-Base interactions energy: -1967.680
where: short stacking energy: -830.626
Base-Backbone interact. energy: 2.852
local terms energy: -874.693187
where:
bonds (distance) C4'-P energy: -159.222
bonds (distance) P-C4' energy: -160.357
flat angles C4'-P-C4' energy: -174.599
flat angles P-C4'-P energy: -127.158
tors. eta vs tors. theta energy: -253.358
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: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2656.862919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.862919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.485205 (E_RNA)
where:
Base-Base interactions energy: -1844.131
where: short stacking energy: -768.841
Base-Backbone interact. energy: -1.666
local terms energy: -813.687694
where:
bonds (distance) C4'-P energy: -136.829
bonds (distance) P-C4' energy: -165.805
flat angles C4'-P-C4' energy: -185.244
flat angles P-C4'-P energy: -101.245
tors. eta vs tors. theta energy: -224.564
Dist. restrs. and SS energy: 2.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2584.667561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.667561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.390435 (E_RNA)
where:
Base-Base interactions energy: -1791.557
where: short stacking energy: -765.923
Base-Backbone interact. energy: -4.191
local terms energy: -790.642221
where:
bonds (distance) C4'-P energy: -159.713
bonds (distance) P-C4' energy: -142.363
flat angles C4'-P-C4' energy: -170.834
flat angles P-C4'-P energy: -105.150
tors. eta vs tors. theta energy: -212.583
Dist. restrs. and SS energy: 1.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2351.399491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.399491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.898935 (E_RNA)
where:
Base-Base interactions energy: -1584.062
where: short stacking energy: -681.857
Base-Backbone interact. energy: -3.063
local terms energy: -765.774323
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -156.649
flat angles C4'-P-C4' energy: -185.868
flat angles P-C4'-P energy: -107.083
tors. eta vs tors. theta energy: -193.112
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2207.102805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.102805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.704176 (E_RNA)
where:
Base-Base interactions energy: -1482.699
where: short stacking energy: -653.910
Base-Backbone interact. energy: -2.919
local terms energy: -724.086354
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -145.181
flat angles C4'-P-C4' energy: -168.762
flat angles P-C4'-P energy: -102.835
tors. eta vs tors. theta energy: -179.712
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: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2111.199756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.199756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.482309 (E_RNA)
where:
Base-Base interactions energy: -1443.135
where: short stacking energy: -621.939
Base-Backbone interact. energy: -4.047
local terms energy: -665.300617
where:
bonds (distance) C4'-P energy: -119.213
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -145.969
flat angles P-C4'-P energy: -97.408
tors. eta vs tors. theta energy: -159.607
Dist. restrs. and SS energy: 1.283 (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: 350
Temperature: 1.250000
Total energy: -1997.519201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.519201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.793568 (E_RNA)
where:
Base-Base interactions energy: -1327.839
where: short stacking energy: -561.319
Base-Backbone interact. energy: 3.950
local terms energy: -675.903968
where:
bonds (distance) C4'-P energy: -137.917
bonds (distance) P-C4' energy: -134.818
flat angles C4'-P-C4' energy: -135.293
flat angles P-C4'-P energy: -107.358
tors. eta vs tors. theta energy: -160.518
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: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1933.307267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.307267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.043824 (E_RNA)
where:
Base-Base interactions energy: -1318.610
where: short stacking energy: -551.443
Base-Backbone interact. energy: 5.819
local terms energy: -623.252670
where:
bonds (distance) C4'-P energy: -111.722
bonds (distance) P-C4' energy: -129.135
flat angles C4'-P-C4' energy: -135.262
flat angles P-C4'-P energy: -103.698
tors. eta vs tors. theta energy: -143.436
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: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1852.341840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.341840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.208507 (E_RNA)
where:
Base-Base interactions energy: -1241.778
where: short stacking energy: -502.018
Base-Backbone interact. energy: -3.429
local terms energy: -611.001588
where:
bonds (distance) C4'-P energy: -110.999
bonds (distance) P-C4' energy: -143.209
flat angles C4'-P-C4' energy: -143.028
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -121.255
Dist. restrs. and SS energy: 3.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2871.702547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.702547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.062909 (E_RNA)
where:
Base-Base interactions energy: -1990.261
where: short stacking energy: -856.449
Base-Backbone interact. energy: -1.362
local terms energy: -881.439996
where:
bonds (distance) C4'-P energy: -166.699
bonds (distance) P-C4' energy: -142.492
flat angles C4'-P-C4' energy: -187.993
flat angles P-C4'-P energy: -130.336
tors. eta vs tors. theta energy: -253.920
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2821.927180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.927180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.078075 (E_RNA)
where:
Base-Base interactions energy: -1972.307
where: short stacking energy: -805.550
Base-Backbone interact. energy: 0.414
local terms energy: -852.185212
where:
bonds (distance) C4'-P energy: -157.629
bonds (distance) P-C4' energy: -170.469
flat angles C4'-P-C4' energy: -183.869
flat angles P-C4'-P energy: -118.705
tors. eta vs tors. theta energy: -221.514
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2644.301689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.301689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.686614 (E_RNA)
where:
Base-Base interactions energy: -1847.110
where: short stacking energy: -772.674
Base-Backbone interact. energy: 1.835
local terms energy: -800.411525
where:
bonds (distance) C4'-P energy: -143.058
bonds (distance) P-C4' energy: -150.489
flat angles C4'-P-C4' energy: -173.825
flat angles P-C4'-P energy: -111.994
tors. eta vs tors. theta energy: -221.045
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2626.966645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.966645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.575378 (E_RNA)
where:
Base-Base interactions energy: -1814.799
where: short stacking energy: -743.406
Base-Backbone interact. energy: -1.743
local terms energy: -812.033727
where:
bonds (distance) C4'-P energy: -159.428
bonds (distance) P-C4' energy: -135.102
flat angles C4'-P-C4' energy: -186.749
flat angles P-C4'-P energy: -113.955
tors. eta vs tors. theta energy: -216.800
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2380.056417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.056417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.978423 (E_RNA)
where:
Base-Base interactions energy: -1614.293
where: short stacking energy: -690.713
Base-Backbone interact. energy: -1.056
local terms energy: -766.629368
where:
bonds (distance) C4'-P energy: -133.105
bonds (distance) P-C4' energy: -148.713
flat angles C4'-P-C4' energy: -170.714
flat angles P-C4'-P energy: -105.592
tors. eta vs tors. theta energy: -208.505
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2185.732878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.732878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.060602 (E_RNA)
where:
Base-Base interactions energy: -1468.300
where: short stacking energy: -633.039
Base-Backbone interact. energy: -4.581
local terms energy: -715.179655
where:
bonds (distance) C4'-P energy: -127.820
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -168.625
flat angles P-C4'-P energy: -108.375
tors. eta vs tors. theta energy: -178.105
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: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2140.073078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.073078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.612623 (E_RNA)
where:
Base-Base interactions energy: -1442.330
where: short stacking energy: -594.475
Base-Backbone interact. energy: 0.336
local terms energy: -700.618712
where:
bonds (distance) C4'-P energy: -146.406
bonds (distance) P-C4' energy: -132.392
flat angles C4'-P-C4' energy: -157.243
flat angles P-C4'-P energy: -96.508
tors. eta vs tors. theta energy: -168.070
Dist. restrs. and SS energy: 2.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2023.873338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.873338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.899879 (E_RNA)
where:
Base-Base interactions energy: -1367.743
where: short stacking energy: -597.643
Base-Backbone interact. energy: -0.403
local terms energy: -657.753990
where:
bonds (distance) C4'-P energy: -137.874
bonds (distance) P-C4' energy: -134.432
flat angles C4'-P-C4' energy: -133.486
flat angles P-C4'-P energy: -69.742
tors. eta vs tors. theta energy: -182.220
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1936.633742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.633742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.383970 (E_RNA)
where:
Base-Base interactions energy: -1290.326
where: short stacking energy: -549.721
Base-Backbone interact. energy: 5.431
local terms energy: -656.488601
where:
bonds (distance) C4'-P energy: -144.607
bonds (distance) P-C4' energy: -148.032
flat angles C4'-P-C4' energy: -137.732
flat angles P-C4'-P energy: -92.515
tors. eta vs tors. theta energy: -133.602
Dist. restrs. and SS energy: 4.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1868.275809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.275809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.525900 (E_RNA)
where:
Base-Base interactions energy: -1260.042
where: short stacking energy: -518.470
Base-Backbone interact. energy: 1.247
local terms energy: -612.731124
where:
bonds (distance) C4'-P energy: -120.430
bonds (distance) P-C4' energy: -133.493
flat angles C4'-P-C4' energy: -132.049
flat angles P-C4'-P energy: -91.666
tors. eta vs tors. theta energy: -135.093
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: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2863.949807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.949807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.562329 (E_RNA)
where:
Base-Base interactions energy: -1975.659
where: short stacking energy: -846.474
Base-Backbone interact. energy: -3.650
local terms energy: -885.253405
where:
bonds (distance) C4'-P energy: -160.748
bonds (distance) P-C4' energy: -141.667
flat angles C4'-P-C4' energy: -182.561
flat angles P-C4'-P energy: -138.832
tors. eta vs tors. theta energy: -261.445
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2855.884502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.884502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.359174 (E_RNA)
where:
Base-Base interactions energy: -1971.005
where: short stacking energy: -826.654
Base-Backbone interact. energy: -2.649
local terms energy: -884.705961
where:
bonds (distance) C4'-P energy: -159.402
bonds (distance) P-C4' energy: -172.905
flat angles C4'-P-C4' energy: -185.288
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -253.902
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2656.318981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.713692 (E_RNA)
where:
Base-Base interactions energy: -1852.008
where: short stacking energy: -776.379
Base-Backbone interact. energy: -1.140
local terms energy: -804.565597
where:
bonds (distance) C4'-P energy: -163.844
bonds (distance) P-C4' energy: -149.278
flat angles C4'-P-C4' energy: -169.379
flat angles P-C4'-P energy: -105.536
tors. eta vs tors. theta energy: -216.530
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: 352
Temperature: 1.050000
Total energy: -2620.587909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.587909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.491074 (E_RNA)
where:
Base-Base interactions energy: -1780.548
where: short stacking energy: -756.615
Base-Backbone interact. energy: -3.171
local terms energy: -838.772322
where:
bonds (distance) C4'-P energy: -134.989
bonds (distance) P-C4' energy: -167.135
flat angles C4'-P-C4' energy: -180.306
flat angles P-C4'-P energy: -127.164
tors. eta vs tors. theta energy: -229.178
Dist. restrs. and SS energy: 1.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2388.865044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.865044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.991183 (E_RNA)
where:
Base-Base interactions energy: -1655.578
where: short stacking energy: -730.325
Base-Backbone interact. energy: 4.411
local terms energy: -739.823728
where:
bonds (distance) C4'-P energy: -131.812
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -104.768
tors. eta vs tors. theta energy: -201.286
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: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2184.828407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.828407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.241870 (E_RNA)
where:
Base-Base interactions energy: -1489.213
where: short stacking energy: -614.852
Base-Backbone interact. energy: -2.081
local terms energy: -694.947963
where:
bonds (distance) C4'-P energy: -134.287
bonds (distance) P-C4' energy: -123.291
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -111.921
tors. eta vs tors. theta energy: -159.854
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: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2107.287028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.287028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.532747 (E_RNA)
where:
Base-Base interactions energy: -1433.631
where: short stacking energy: -625.070
Base-Backbone interact. energy: 3.962
local terms energy: -679.863743
where:
bonds (distance) C4'-P energy: -120.542
bonds (distance) P-C4' energy: -139.274
flat angles C4'-P-C4' energy: -157.875
flat angles P-C4'-P energy: -97.764
tors. eta vs tors. theta energy: -164.410
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: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2039.847181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.847181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.492648 (E_RNA)
where:
Base-Base interactions energy: -1412.020
where: short stacking energy: -591.233
Base-Backbone interact. energy: -0.675
local terms energy: -631.797615
where:
bonds (distance) C4'-P energy: -137.391
bonds (distance) P-C4' energy: -121.485
flat angles C4'-P-C4' energy: -146.351
flat angles P-C4'-P energy: -78.004
tors. eta vs tors. theta energy: -148.568
Dist. restrs. and SS energy: 4.645 (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: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1932.797343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.797343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.059854 (E_RNA)
where:
Base-Base interactions energy: -1280.544
where: short stacking energy: -546.282
Base-Backbone interact. energy: -1.303
local terms energy: -654.213001
where:
bonds (distance) C4'-P energy: -131.436
bonds (distance) P-C4' energy: -147.402
flat angles C4'-P-C4' energy: -151.034
flat angles P-C4'-P energy: -86.411
tors. eta vs tors. theta energy: -137.930
Dist. restrs. and SS energy: 3.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1868.155430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.155430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.613943 (E_RNA)
where:
Base-Base interactions energy: -1258.715
where: short stacking energy: -513.742
Base-Backbone interact. energy: 0.157
local terms energy: -614.056335
where:
bonds (distance) C4'-P energy: -117.932
bonds (distance) P-C4' energy: -136.173
flat angles C4'-P-C4' energy: -129.889
flat angles P-C4'-P energy: -90.383
tors. eta vs tors. theta energy: -139.679
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: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2883.119915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.119915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.160036 (E_RNA)
where:
Base-Base interactions energy: -1965.237
where: short stacking energy: -823.842
Base-Backbone interact. energy: 4.804
local terms energy: -923.726210
where:
bonds (distance) C4'-P energy: -168.067
bonds (distance) P-C4' energy: -171.637
flat angles C4'-P-C4' energy: -190.224
flat angles P-C4'-P energy: -133.494
tors. eta vs tors. theta energy: -260.304
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: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2797.616209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.616209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.545139 (E_RNA)
where:
Base-Base interactions energy: -1952.010
where: short stacking energy: -787.035
Base-Backbone interact. energy: -4.069
local terms energy: -843.466605
where:
bonds (distance) C4'-P energy: -160.109
bonds (distance) P-C4' energy: -169.566
flat angles C4'-P-C4' energy: -168.117
flat angles P-C4'-P energy: -112.780
tors. eta vs tors. theta energy: -232.894
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2651.288692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.288692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.962344 (E_RNA)
where:
Base-Base interactions energy: -1835.168
where: short stacking energy: -781.307
Base-Backbone interact. energy: -2.532
local terms energy: -815.262751
where:
bonds (distance) C4'-P energy: -139.447
bonds (distance) P-C4' energy: -158.217
flat angles C4'-P-C4' energy: -177.430
flat angles P-C4'-P energy: -115.985
tors. eta vs tors. theta energy: -224.183
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2601.014230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.014230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.861216 (E_RNA)
where:
Base-Base interactions energy: -1803.846
where: short stacking energy: -749.826
Base-Backbone interact. energy: -2.132
local terms energy: -796.882896
where:
bonds (distance) C4'-P energy: -151.408
bonds (distance) P-C4' energy: -141.758
flat angles C4'-P-C4' energy: -183.040
flat angles P-C4'-P energy: -103.899
tors. eta vs tors. theta energy: -216.778
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2387.164936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.164936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.335273 (E_RNA)
where:
Base-Base interactions energy: -1628.837
where: short stacking energy: -718.838
Base-Backbone interact. energy: -2.335
local terms energy: -759.163236
where:
bonds (distance) C4'-P energy: -150.357
bonds (distance) P-C4' energy: -132.354
flat angles C4'-P-C4' energy: -163.587
flat angles P-C4'-P energy: -113.773
tors. eta vs tors. theta energy: -199.092
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: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2210.650078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.650078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.159036 (E_RNA)
where:
Base-Base interactions energy: -1474.198
where: short stacking energy: -650.617
Base-Backbone interact. energy: -0.100
local terms energy: -738.860758
where:
bonds (distance) C4'-P energy: -137.720
bonds (distance) P-C4' energy: -155.007
flat angles C4'-P-C4' energy: -169.687
flat angles P-C4'-P energy: -112.171
tors. eta vs tors. theta energy: -164.276
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: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2124.803895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.803895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.125720 (E_RNA)
where:
Base-Base interactions energy: -1426.227
where: short stacking energy: -600.698
Base-Backbone interact. energy: -1.652
local terms energy: -700.246835
where:
bonds (distance) C4'-P energy: -150.400
bonds (distance) P-C4' energy: -134.189
flat angles C4'-P-C4' energy: -153.772
flat angles P-C4'-P energy: -105.689
tors. eta vs tors. theta energy: -156.197
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2009.182210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.182210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.032787 (E_RNA)
where:
Base-Base interactions energy: -1336.869
where: short stacking energy: -567.432
Base-Backbone interact. energy: -0.085
local terms energy: -675.078396
where:
bonds (distance) C4'-P energy: -129.960
bonds (distance) P-C4' energy: -117.887
flat angles C4'-P-C4' energy: -159.221
flat angles P-C4'-P energy: -98.766
tors. eta vs tors. theta energy: -169.244
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1957.963566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.963566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.587009 (E_RNA)
where:
Base-Base interactions energy: -1335.223
where: short stacking energy: -557.260
Base-Backbone interact. energy: -3.596
local terms energy: -622.768326
where:
bonds (distance) C4'-P energy: -131.739
bonds (distance) P-C4' energy: -134.452
flat angles C4'-P-C4' energy: -133.933
flat angles P-C4'-P energy: -82.125
tors. eta vs tors. theta energy: -140.519
Dist. restrs. and SS energy: 3.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1899.731857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.731857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.298146 (E_RNA)
where:
Base-Base interactions energy: -1292.337
where: short stacking energy: -543.018
Base-Backbone interact. energy: 4.088
local terms energy: -614.048852
where:
bonds (distance) C4'-P energy: -123.835
bonds (distance) P-C4' energy: -137.209
flat angles C4'-P-C4' energy: -142.278
flat angles P-C4'-P energy: -76.562
tors. eta vs tors. theta energy: -134.166
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: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2859.210364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.210364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.199449 (E_RNA)
where:
Base-Base interactions energy: -1961.888
where: short stacking energy: -820.246
Base-Backbone interact. energy: -2.842
local terms energy: -897.470003
where:
bonds (distance) C4'-P energy: -161.654
bonds (distance) P-C4' energy: -161.592
flat angles C4'-P-C4' energy: -189.695
flat angles P-C4'-P energy: -126.578
tors. eta vs tors. theta energy: -257.952
Dist. restrs. and SS energy: 2.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2843.645725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.645725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.565199 (E_RNA)
where:
Base-Base interactions energy: -1956.924
where: short stacking energy: -802.389
Base-Backbone interact. energy: -1.280
local terms energy: -889.361837
where:
bonds (distance) C4'-P energy: -170.060
bonds (distance) P-C4' energy: -168.350
flat angles C4'-P-C4' energy: -181.404
flat angles P-C4'-P energy: -121.814
tors. eta vs tors. theta energy: -247.734
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2632.109186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.109186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.961531 (E_RNA)
where:
Base-Base interactions energy: -1809.417
where: short stacking energy: -758.702
Base-Backbone interact. energy: 3.190
local terms energy: -826.735103
where:
bonds (distance) C4'-P energy: -150.063
bonds (distance) P-C4' energy: -172.953
flat angles C4'-P-C4' energy: -182.509
flat angles P-C4'-P energy: -98.447
tors. eta vs tors. theta energy: -222.763
Dist. restrs. and SS energy: 0.852 (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: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2626.342175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.342175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.732695 (E_RNA)
where:
Base-Base interactions energy: -1797.091
where: short stacking energy: -758.126
Base-Backbone interact. energy: -2.528
local terms energy: -828.113620
where:
bonds (distance) C4'-P energy: -128.689
bonds (distance) P-C4' energy: -165.754
flat angles C4'-P-C4' energy: -177.616
flat angles P-C4'-P energy: -130.930
tors. eta vs tors. theta energy: -225.125
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: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2359.130442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.130442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.399144 (E_RNA)
where:
Base-Base interactions energy: -1583.540
where: short stacking energy: -671.932
Base-Backbone interact. energy: 0.054
local terms energy: -776.913717
where:
bonds (distance) C4'-P energy: -154.517
bonds (distance) P-C4' energy: -161.830
flat angles C4'-P-C4' energy: -155.244
flat angles P-C4'-P energy: -108.857
tors. eta vs tors. theta energy: -196.466
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: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2218.175357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.175357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.135175 (E_RNA)
where:
Base-Base interactions energy: -1491.127
where: short stacking energy: -653.055
Base-Backbone interact. energy: -0.977
local terms energy: -728.031287
where:
bonds (distance) C4'-P energy: -141.143
bonds (distance) P-C4' energy: -135.085
flat angles C4'-P-C4' energy: -168.381
flat angles P-C4'-P energy: -100.036
tors. eta vs tors. theta energy: -183.385
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2138.051135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.822687 (E_RNA)
where:
Base-Base interactions energy: -1442.201
where: short stacking energy: -611.425
Base-Backbone interact. energy: 6.013
local terms energy: -704.634198
where:
bonds (distance) C4'-P energy: -149.053
bonds (distance) P-C4' energy: -132.183
flat angles C4'-P-C4' energy: -156.976
flat angles P-C4'-P energy: -103.950
tors. eta vs tors. theta energy: -162.473
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2025.951230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.951230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.121059 (E_RNA)
where:
Base-Base interactions energy: -1356.565
where: short stacking energy: -581.740
Base-Backbone interact. energy: -2.235
local terms energy: -670.321084
where:
bonds (distance) C4'-P energy: -134.851
bonds (distance) P-C4' energy: -127.127
flat angles C4'-P-C4' energy: -141.942
flat angles P-C4'-P energy: -113.698
tors. eta vs tors. theta energy: -152.704
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: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1912.185937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.185937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.475227 (E_RNA)
where:
Base-Base interactions energy: -1281.310
where: short stacking energy: -545.656
Base-Backbone interact. energy: -2.219
local terms energy: -634.946604
where:
bonds (distance) C4'-P energy: -130.081
bonds (distance) P-C4' energy: -122.281
flat angles C4'-P-C4' energy: -137.234
flat angles P-C4'-P energy: -92.864
tors. eta vs tors. theta energy: -152.486
Dist. restrs. and SS energy: 6.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1899.187931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.187931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.684093 (E_RNA)
where:
Base-Base interactions energy: -1275.253
where: short stacking energy: -536.278
Base-Backbone interact. energy: -2.843
local terms energy: -624.587977
where:
bonds (distance) C4'-P energy: -142.166
bonds (distance) P-C4' energy: -113.641
flat angles C4'-P-C4' energy: -152.670
flat angles P-C4'-P energy: -66.642
tors. eta vs tors. theta energy: -149.469
Dist. restrs. and SS energy: 3.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2856.937236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.937236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.495278 (E_RNA)
where:
Base-Base interactions energy: -1956.615
where: short stacking energy: -850.046
Base-Backbone interact. energy: -2.007
local terms energy: -900.873212
where:
bonds (distance) C4'-P energy: -158.076
bonds (distance) P-C4' energy: -165.731
flat angles C4'-P-C4' energy: -191.612
flat angles P-C4'-P energy: -128.762
tors. eta vs tors. theta energy: -256.693
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: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2878.094814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.094814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.957329 (E_RNA)
where:
Base-Base interactions energy: -1999.332
where: short stacking energy: -827.574
Base-Backbone interact. energy: -1.785
local terms energy: -879.840504
where:
bonds (distance) C4'-P energy: -166.946
bonds (distance) P-C4' energy: -159.752
flat angles C4'-P-C4' energy: -179.927
flat angles P-C4'-P energy: -127.119
tors. eta vs tors. theta energy: -246.096
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: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2631.662417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.662417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.558631 (E_RNA)
where:
Base-Base interactions energy: -1800.987
where: short stacking energy: -769.441
Base-Backbone interact. energy: -0.540
local terms energy: -832.032260
where:
bonds (distance) C4'-P energy: -156.048
bonds (distance) P-C4' energy: -166.362
flat angles C4'-P-C4' energy: -172.459
flat angles P-C4'-P energy: -107.400
tors. eta vs tors. theta energy: -229.764
Dist. restrs. and SS energy: 1.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2632.566825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.566825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.288601 (E_RNA)
where:
Base-Base interactions energy: -1802.932
where: short stacking energy: -755.013
Base-Backbone interact. energy: -5.752
local terms energy: -825.604683
where:
bonds (distance) C4'-P energy: -157.352
bonds (distance) P-C4' energy: -156.256
flat angles C4'-P-C4' energy: -165.765
flat angles P-C4'-P energy: -126.966
tors. eta vs tors. theta energy: -219.266
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: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2355.191682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.191682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.525293 (E_RNA)
where:
Base-Base interactions energy: -1610.201
where: short stacking energy: -685.949
Base-Backbone interact. energy: -2.694
local terms energy: -744.629603
where:
bonds (distance) C4'-P energy: -144.477
bonds (distance) P-C4' energy: -142.485
flat angles C4'-P-C4' energy: -155.469
flat angles P-C4'-P energy: -106.394
tors. eta vs tors. theta energy: -195.804
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: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2204.105446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.105446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.953545 (E_RNA)
where:
Base-Base interactions energy: -1459.350
where: short stacking energy: -645.905
Base-Backbone interact. energy: -1.862
local terms energy: -744.741353
where:
bonds (distance) C4'-P energy: -129.177
bonds (distance) P-C4' energy: -150.651
flat angles C4'-P-C4' energy: -176.069
flat angles P-C4'-P energy: -108.666
tors. eta vs tors. theta energy: -180.179
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2096.622683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.622683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.997584 (E_RNA)
where:
Base-Base interactions energy: -1403.881
where: short stacking energy: -602.954
Base-Backbone interact. energy: -0.982
local terms energy: -695.134181
where:
bonds (distance) C4'-P energy: -122.822
bonds (distance) P-C4' energy: -134.190
flat angles C4'-P-C4' energy: -156.304
flat angles P-C4'-P energy: -111.978
tors. eta vs tors. theta energy: -169.841
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2029.254719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.254719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.639036 (E_RNA)
where:
Base-Base interactions energy: -1350.072
where: short stacking energy: -579.703
Base-Backbone interact. energy: -1.650
local terms energy: -681.916889
where:
bonds (distance) C4'-P energy: -127.642
bonds (distance) P-C4' energy: -142.508
flat angles C4'-P-C4' energy: -156.968
flat angles P-C4'-P energy: -97.339
tors. eta vs tors. theta energy: -157.460
Dist. restrs. and SS energy: 4.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1948.049424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.049424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.865750 (E_RNA)
where:
Base-Base interactions energy: -1324.786
where: short stacking energy: -571.977
Base-Backbone interact. energy: 1.243
local terms energy: -629.322234
where:
bonds (distance) C4'-P energy: -129.393
bonds (distance) P-C4' energy: -126.805
flat angles C4'-P-C4' energy: -140.345
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -156.503
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: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1833.774066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.774066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.333510 (E_RNA)
where:
Base-Base interactions energy: -1236.603
where: short stacking energy: -526.274
Base-Backbone interact. energy: -4.360
local terms energy: -601.369719
where:
bonds (distance) C4'-P energy: -119.637
bonds (distance) P-C4' energy: -145.097
flat angles C4'-P-C4' energy: -108.062
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -136.329
Dist. restrs. and SS energy: 8.559 (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: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2853.067519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.067519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.206131 (E_RNA)
where:
Base-Base interactions energy: -1963.514
where: short stacking energy: -800.585
Base-Backbone interact. energy: -2.386
local terms energy: -889.305774
where:
bonds (distance) C4'-P energy: -150.619
bonds (distance) P-C4' energy: -165.503
flat angles C4'-P-C4' energy: -185.455
flat angles P-C4'-P energy: -127.196
tors. eta vs tors. theta energy: -260.533
Dist. restrs. and SS energy: 2.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2837.362005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.362005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.433301 (E_RNA)
where:
Base-Base interactions energy: -1971.473
where: short stacking energy: -811.332
Base-Backbone interact. energy: -4.084
local terms energy: -863.876435
where:
bonds (distance) C4'-P energy: -156.920
bonds (distance) P-C4' energy: -155.043
flat angles C4'-P-C4' energy: -198.211
flat angles P-C4'-P energy: -123.545
tors. eta vs tors. theta energy: -230.158
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2701.741486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.741486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.939863 (E_RNA)
where:
Base-Base interactions energy: -1887.953
where: short stacking energy: -794.122
Base-Backbone interact. energy: -4.678
local terms energy: -810.308663
where:
bonds (distance) C4'-P energy: -144.865
bonds (distance) P-C4' energy: -145.388
flat angles C4'-P-C4' energy: -171.880
flat angles P-C4'-P energy: -127.297
tors. eta vs tors. theta energy: -220.879
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: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2623.950669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.950669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.894067 (E_RNA)
where:
Base-Base interactions energy: -1814.188
where: short stacking energy: -768.022
Base-Backbone interact. energy: -1.616
local terms energy: -810.089475
where:
bonds (distance) C4'-P energy: -148.724
bonds (distance) P-C4' energy: -160.717
flat angles C4'-P-C4' energy: -169.252
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -227.060
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: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2380.751969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.751969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.525922 (E_RNA)
where:
Base-Base interactions energy: -1621.604
where: short stacking energy: -722.519
Base-Backbone interact. energy: 2.445
local terms energy: -764.366965
where:
bonds (distance) C4'-P energy: -136.093
bonds (distance) P-C4' energy: -148.881
flat angles C4'-P-C4' energy: -177.763
flat angles P-C4'-P energy: -97.788
tors. eta vs tors. theta energy: -203.842
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2227.583117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.620506 (E_RNA)
where:
Base-Base interactions energy: -1495.509
where: short stacking energy: -667.855
Base-Backbone interact. energy: -4.790
local terms energy: -729.320624
where:
bonds (distance) C4'-P energy: -125.127
bonds (distance) P-C4' energy: -158.614
flat angles C4'-P-C4' energy: -160.083
flat angles P-C4'-P energy: -100.848
tors. eta vs tors. theta energy: -184.647
Dist. restrs. and SS energy: 2.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2101.441423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.441423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.934299 (E_RNA)
where:
Base-Base interactions energy: -1427.675
where: short stacking energy: -619.728
Base-Backbone interact. energy: -2.113
local terms energy: -675.146008
where:
bonds (distance) C4'-P energy: -127.994
bonds (distance) P-C4' energy: -139.656
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -94.279
tors. eta vs tors. theta energy: -163.015
Dist. restrs. and SS energy: 3.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2057.203575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.203575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.887425 (E_RNA)
where:
Base-Base interactions energy: -1412.092
where: short stacking energy: -615.167
Base-Backbone interact. energy: 0.596
local terms energy: -648.391383
where:
bonds (distance) C4'-P energy: -133.516
bonds (distance) P-C4' energy: -116.027
flat angles C4'-P-C4' energy: -146.312
flat angles P-C4'-P energy: -90.827
tors. eta vs tors. theta energy: -161.709
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: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1945.487753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.487753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.133777 (E_RNA)
where:
Base-Base interactions energy: -1329.149
where: short stacking energy: -578.930
Base-Backbone interact. energy: 2.176
local terms energy: -622.161047
where:
bonds (distance) C4'-P energy: -119.409
bonds (distance) P-C4' energy: -109.649
flat angles C4'-P-C4' energy: -145.180
flat angles P-C4'-P energy: -88.907
tors. eta vs tors. theta energy: -159.016
Dist. restrs. and SS energy: 3.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1850.062816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.062816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.779405 (E_RNA)
where:
Base-Base interactions energy: -1243.446
where: short stacking energy: -516.597
Base-Backbone interact. energy: -0.461
local terms energy: -612.873007
where:
bonds (distance) C4'-P energy: -110.694
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -153.954
flat angles P-C4'-P energy: -91.991
tors. eta vs tors. theta energy: -132.645
Dist. restrs. and SS energy: 6.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2871.119659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.119659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.015259 (E_RNA)
where:
Base-Base interactions energy: -1984.535
where: short stacking energy: -844.536
Base-Backbone interact. energy: 6.662
local terms energy: -896.142691
where:
bonds (distance) C4'-P energy: -160.197
bonds (distance) P-C4' energy: -163.677
flat angles C4'-P-C4' energy: -191.931
flat angles P-C4'-P energy: -127.410
tors. eta vs tors. theta energy: -252.927
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: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2852.053688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.053688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.506627 (E_RNA)
where:
Base-Base interactions energy: -2015.933
where: short stacking energy: -832.236
Base-Backbone interact. energy: 2.121
local terms energy: -840.693899
where:
bonds (distance) C4'-P energy: -156.491
bonds (distance) P-C4' energy: -159.454
flat angles C4'-P-C4' energy: -185.086
flat angles P-C4'-P energy: -108.233
tors. eta vs tors. theta energy: -231.430
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: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2708.240711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.240711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.134873 (E_RNA)
where:
Base-Base interactions energy: -1894.949
where: short stacking energy: -789.972
Base-Backbone interact. energy: 6.732
local terms energy: -820.917426
where:
bonds (distance) C4'-P energy: -149.967
bonds (distance) P-C4' energy: -152.768
flat angles C4'-P-C4' energy: -175.112
flat angles P-C4'-P energy: -117.188
tors. eta vs tors. theta energy: -225.883
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2629.645369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.645369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.832439 (E_RNA)
where:
Base-Base interactions energy: -1825.561
where: short stacking energy: -737.409
Base-Backbone interact. energy: -1.187
local terms energy: -805.084526
where:
bonds (distance) C4'-P energy: -143.615
bonds (distance) P-C4' energy: -158.210
flat angles C4'-P-C4' energy: -167.982
flat angles P-C4'-P energy: -109.755
tors. eta vs tors. theta energy: -225.521
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: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2385.618638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.618638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.992221 (E_RNA)
where:
Base-Base interactions energy: -1600.509
where: short stacking energy: -710.442
Base-Backbone interact. energy: 0.631
local terms energy: -789.114047
where:
bonds (distance) C4'-P energy: -138.841
bonds (distance) P-C4' energy: -143.147
flat angles C4'-P-C4' energy: -179.674
flat angles P-C4'-P energy: -124.488
tors. eta vs tors. theta energy: -202.964
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: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2202.766869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.766869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.237586 (E_RNA)
where:
Base-Base interactions energy: -1459.335
where: short stacking energy: -638.066
Base-Backbone interact. energy: -2.350
local terms energy: -742.553223
where:
bonds (distance) C4'-P energy: -130.382
bonds (distance) P-C4' energy: -151.355
flat angles C4'-P-C4' energy: -159.347
flat angles P-C4'-P energy: -123.507
tors. eta vs tors. theta energy: -177.962
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: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2102.012809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.012809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.961823 (E_RNA)
where:
Base-Base interactions energy: -1424.175
where: short stacking energy: -600.717
Base-Backbone interact. energy: -0.873
local terms energy: -681.913528
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -125.480
flat angles C4'-P-C4' energy: -169.233
flat angles P-C4'-P energy: -97.250
tors. eta vs tors. theta energy: -163.203
Dist. restrs. and SS energy: 4.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2057.224090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.224090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.144685 (E_RNA)
where:
Base-Base interactions energy: -1401.956
where: short stacking energy: -586.938
Base-Backbone interact. energy: -2.437
local terms energy: -655.751039
where:
bonds (distance) C4'-P energy: -136.674
bonds (distance) P-C4' energy: -134.906
flat angles C4'-P-C4' energy: -143.970
flat angles P-C4'-P energy: -77.358
tors. eta vs tors. theta energy: -162.844
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: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1982.082700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.082700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.447568 (E_RNA)
where:
Base-Base interactions energy: -1337.231
where: short stacking energy: -554.882
Base-Backbone interact. energy: -2.282
local terms energy: -645.934144
where:
bonds (distance) C4'-P energy: -149.083
bonds (distance) P-C4' energy: -132.524
flat angles C4'-P-C4' energy: -126.372
flat angles P-C4'-P energy: -93.879
tors. eta vs tors. theta energy: -144.075
Dist. restrs. and SS energy: 3.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1802.496506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.496506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.094770 (E_RNA)
where:
Base-Base interactions energy: -1233.689
where: short stacking energy: -531.313
Base-Backbone interact. energy: 0.038
local terms energy: -577.443937
where:
bonds (distance) C4'-P energy: -112.994
bonds (distance) P-C4' energy: -119.802
flat angles C4'-P-C4' energy: -133.935
flat angles P-C4'-P energy: -74.409
tors. eta vs tors. theta energy: -136.305
Dist. restrs. and SS energy: 8.598 (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: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2875.459713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.459713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.078774 (E_RNA)
where:
Base-Base interactions energy: -1980.891
where: short stacking energy: -838.803
Base-Backbone interact. energy: 3.642
local terms energy: -900.829758
where:
bonds (distance) C4'-P energy: -172.093
bonds (distance) P-C4' energy: -165.844
flat angles C4'-P-C4' energy: -185.027
flat angles P-C4'-P energy: -126.762
tors. eta vs tors. theta energy: -251.103
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2840.412463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.412463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.400290 (E_RNA)
where:
Base-Base interactions energy: -1977.692
where: short stacking energy: -849.008
Base-Backbone interact. energy: 1.122
local terms energy: -866.830370
where:
bonds (distance) C4'-P energy: -154.212
bonds (distance) P-C4' energy: -160.770
flat angles C4'-P-C4' energy: -185.859
flat angles P-C4'-P energy: -124.320
tors. eta vs tors. theta energy: -241.670
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2676.899247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.899247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.531131 (E_RNA)
where:
Base-Base interactions energy: -1854.868
where: short stacking energy: -739.861
Base-Backbone interact. energy: 0.464
local terms energy: -824.127404
where:
bonds (distance) C4'-P energy: -143.996
bonds (distance) P-C4' energy: -138.665
flat angles C4'-P-C4' energy: -195.297
flat angles P-C4'-P energy: -125.380
tors. eta vs tors. theta energy: -220.789
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: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2631.189483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.189483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.286685 (E_RNA)
where:
Base-Base interactions energy: -1822.649
where: short stacking energy: -761.309
Base-Backbone interact. energy: -4.933
local terms energy: -805.705097
where:
bonds (distance) C4'-P energy: -158.748
bonds (distance) P-C4' energy: -151.225
flat angles C4'-P-C4' energy: -159.965
flat angles P-C4'-P energy: -109.706
tors. eta vs tors. theta energy: -226.061
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: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2391.751472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.751472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.149535 (E_RNA)
where:
Base-Base interactions energy: -1624.404
where: short stacking energy: -708.202
Base-Backbone interact. energy: 0.141
local terms energy: -768.886419
where:
bonds (distance) C4'-P energy: -157.136
bonds (distance) P-C4' energy: -149.665
flat angles C4'-P-C4' energy: -151.970
flat angles P-C4'-P energy: -115.485
tors. eta vs tors. theta energy: -194.631
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: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2167.608806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.608806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.463482 (E_RNA)
where:
Base-Base interactions energy: -1456.489
where: short stacking energy: -614.431
Base-Backbone interact. energy: 2.779
local terms energy: -715.753628
where:
bonds (distance) C4'-P energy: -144.623
bonds (distance) P-C4' energy: -151.786
flat angles C4'-P-C4' energy: -156.822
flat angles P-C4'-P energy: -88.939
tors. eta vs tors. theta energy: -173.584
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2126.405874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.405874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.480004 (E_RNA)
where:
Base-Base interactions energy: -1441.104
where: short stacking energy: -625.872
Base-Backbone interact. energy: -1.731
local terms energy: -686.644569
where:
bonds (distance) C4'-P energy: -139.004
bonds (distance) P-C4' energy: -124.110
flat angles C4'-P-C4' energy: -150.103
flat angles P-C4'-P energy: -104.517
tors. eta vs tors. theta energy: -168.910
Dist. restrs. and SS energy: 3.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2036.968739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.968739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.497196 (E_RNA)
where:
Base-Base interactions energy: -1405.292
where: short stacking energy: -608.947
Base-Backbone interact. energy: 5.753
local terms energy: -638.957531
where:
bonds (distance) C4'-P energy: -102.536
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -157.210
flat angles P-C4'-P energy: -96.707
tors. eta vs tors. theta energy: -153.066
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: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1970.310680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.310680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.310067 (E_RNA)
where:
Base-Base interactions energy: -1320.616
where: short stacking energy: -570.170
Base-Backbone interact. energy: 2.675
local terms energy: -656.368506
where:
bonds (distance) C4'-P energy: -106.144
bonds (distance) P-C4' energy: -137.645
flat angles C4'-P-C4' energy: -147.906
flat angles P-C4'-P energy: -103.839
tors. eta vs tors. theta energy: -160.834
Dist. restrs. and SS energy: 3.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1863.647563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.647563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.795029 (E_RNA)
where:
Base-Base interactions energy: -1272.515
where: short stacking energy: -533.840
Base-Backbone interact. energy: -1.026
local terms energy: -595.253759
where:
bonds (distance) C4'-P energy: -132.802
bonds (distance) P-C4' energy: -117.256
flat angles C4'-P-C4' energy: -120.116
flat angles P-C4'-P energy: -100.217
tors. eta vs tors. theta energy: -124.863
Dist. restrs. and SS energy: 5.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2860.574964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.574964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.708296 (E_RNA)
where:
Base-Base interactions energy: -1993.052
where: short stacking energy: -834.284
Base-Backbone interact. energy: -0.201
local terms energy: -869.455795
where:
bonds (distance) C4'-P energy: -153.996
bonds (distance) P-C4' energy: -165.774
flat angles C4'-P-C4' energy: -182.931
flat angles P-C4'-P energy: -118.083
tors. eta vs tors. theta energy: -248.671
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2855.799395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.799395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.504774 (E_RNA)
where:
Base-Base interactions energy: -1987.097
where: short stacking energy: -815.075
Base-Backbone interact. energy: -0.559
local terms energy: -871.848820
where:
bonds (distance) C4'-P energy: -159.012
bonds (distance) P-C4' energy: -175.346
flat angles C4'-P-C4' energy: -172.543
flat angles P-C4'-P energy: -117.729
tors. eta vs tors. theta energy: -247.218
Dist. restrs. and SS energy: 3.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2650.945246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.945246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.429389 (E_RNA)
where:
Base-Base interactions energy: -1836.563
where: short stacking energy: -752.554
Base-Backbone interact. energy: -3.543
local terms energy: -812.323555
where:
bonds (distance) C4'-P energy: -157.020
bonds (distance) P-C4' energy: -143.219
flat angles C4'-P-C4' energy: -173.174
flat angles P-C4'-P energy: -127.624
tors. eta vs tors. theta energy: -211.287
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2641.511255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.511255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.605332 (E_RNA)
where:
Base-Base interactions energy: -1847.418
where: short stacking energy: -765.678
Base-Backbone interact. energy: -2.593
local terms energy: -793.595002
where:
bonds (distance) C4'-P energy: -155.646
bonds (distance) P-C4' energy: -127.070
flat angles C4'-P-C4' energy: -177.981
flat angles P-C4'-P energy: -109.632
tors. eta vs tors. theta energy: -223.266
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: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2338.859330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.859330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.851737 (E_RNA)
where:
Base-Base interactions energy: -1593.126
where: short stacking energy: -703.169
Base-Backbone interact. energy: -3.225
local terms energy: -745.501005
where:
bonds (distance) C4'-P energy: -138.437
bonds (distance) P-C4' energy: -141.479
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -107.787
tors. eta vs tors. theta energy: -189.962
Dist. restrs. and SS energy: 2.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2241.779626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.779626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.074614 (E_RNA)
where:
Base-Base interactions energy: -1521.562
where: short stacking energy: -649.941
Base-Backbone interact. energy: -3.473
local terms energy: -718.039440
where:
bonds (distance) C4'-P energy: -135.492
bonds (distance) P-C4' energy: -143.293
flat angles C4'-P-C4' energy: -166.982
flat angles P-C4'-P energy: -96.527
tors. eta vs tors. theta energy: -175.746
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2110.205932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.205932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.019233 (E_RNA)
where:
Base-Base interactions energy: -1434.703
where: short stacking energy: -613.089
Base-Backbone interact. energy: -4.170
local terms energy: -675.145993
where:
bonds (distance) C4'-P energy: -126.756
bonds (distance) P-C4' energy: -128.619
flat angles C4'-P-C4' energy: -154.391
flat angles P-C4'-P energy: -110.360
tors. eta vs tors. theta energy: -155.019
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: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2019.813438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.813438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.496878 (E_RNA)
where:
Base-Base interactions energy: -1353.875
where: short stacking energy: -564.057
Base-Backbone interact. energy: 7.169
local terms energy: -675.790913
where:
bonds (distance) C4'-P energy: -130.589
bonds (distance) P-C4' energy: -140.350
flat angles C4'-P-C4' energy: -153.306
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -145.338
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: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1882.491417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.491417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.012969 (E_RNA)
where:
Base-Base interactions energy: -1252.834
where: short stacking energy: -546.961
Base-Backbone interact. energy: -1.802
local terms energy: -632.377317
where:
bonds (distance) C4'-P energy: -129.499
bonds (distance) P-C4' energy: -106.595
flat angles C4'-P-C4' energy: -151.183
flat angles P-C4'-P energy: -93.398
tors. eta vs tors. theta energy: -151.702
Dist. restrs. and SS energy: 4.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1856.175533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.175533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.663794 (E_RNA)
where:
Base-Base interactions energy: -1242.029
where: short stacking energy: -531.969
Base-Backbone interact. energy: 5.491
local terms energy: -625.125132
where:
bonds (distance) C4'-P energy: -127.489
bonds (distance) P-C4' energy: -124.878
flat angles C4'-P-C4' energy: -141.364
flat angles P-C4'-P energy: -89.494
tors. eta vs tors. theta energy: -141.899
Dist. restrs. and SS energy: 5.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2916.574506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.574506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.247939 (E_RNA)
where:
Base-Base interactions energy: -2035.889
where: short stacking energy: -849.834
Base-Backbone interact. energy: 0.753
local terms energy: -884.111845
where:
bonds (distance) C4'-P energy: -161.039
bonds (distance) P-C4' energy: -164.708
flat angles C4'-P-C4' energy: -196.572
flat angles P-C4'-P energy: -112.960
tors. eta vs tors. theta energy: -248.833
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2795.984962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.984962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.418173 (E_RNA)
where:
Base-Base interactions energy: -1945.820
where: short stacking energy: -817.886
Base-Backbone interact. energy: 4.473
local terms energy: -857.071904
where:
bonds (distance) C4'-P energy: -146.140
bonds (distance) P-C4' energy: -159.259
flat angles C4'-P-C4' energy: -186.666
flat angles P-C4'-P energy: -121.752
tors. eta vs tors. theta energy: -243.255
Dist. restrs. and SS energy: 2.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2715.443584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.443584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.643804 (E_RNA)
where:
Base-Base interactions energy: -1893.410
where: short stacking energy: -798.140
Base-Backbone interact. energy: 0.367
local terms energy: -823.601049
where:
bonds (distance) C4'-P energy: -133.499
bonds (distance) P-C4' energy: -150.356
flat angles C4'-P-C4' energy: -180.367
flat angles P-C4'-P energy: -117.535
tors. eta vs tors. theta energy: -241.843
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: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2591.279797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.279797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.581289 (E_RNA)
where:
Base-Base interactions energy: -1802.546
where: short stacking energy: -726.264
Base-Backbone interact. energy: -2.454
local terms energy: -787.580979
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -151.645
flat angles C4'-P-C4' energy: -175.889
flat angles P-C4'-P energy: -114.615
tors. eta vs tors. theta energy: -209.194
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: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2331.992749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.992749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.691432 (E_RNA)
where:
Base-Base interactions energy: -1557.443
where: short stacking energy: -680.653
Base-Backbone interact. energy: -2.149
local terms energy: -774.099626
where:
bonds (distance) C4'-P energy: -155.349
bonds (distance) P-C4' energy: -144.420
flat angles C4'-P-C4' energy: -169.906
flat angles P-C4'-P energy: -116.481
tors. eta vs tors. theta energy: -187.944
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: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2169.047932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.047932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.016269 (E_RNA)
where:
Base-Base interactions energy: -1472.637
where: short stacking energy: -642.314
Base-Backbone interact. energy: 1.562
local terms energy: -699.941012
where:
bonds (distance) C4'-P energy: -139.276
bonds (distance) P-C4' energy: -146.535
flat angles C4'-P-C4' energy: -159.327
flat angles P-C4'-P energy: -90.442
tors. eta vs tors. theta energy: -164.361
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: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2199.325318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.325318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.993682 (E_RNA)
where:
Base-Base interactions energy: -1486.916
where: short stacking energy: -639.974
Base-Backbone interact. energy: -3.723
local terms energy: -711.354860
where:
bonds (distance) C4'-P energy: -139.330
bonds (distance) P-C4' energy: -144.256
flat angles C4'-P-C4' energy: -156.455
flat angles P-C4'-P energy: -106.242
tors. eta vs tors. theta energy: -165.073
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: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1999.737628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.737628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.469651 (E_RNA)
where:
Base-Base interactions energy: -1326.815
where: short stacking energy: -555.805
Base-Backbone interact. energy: 0.413
local terms energy: -683.067735
where:
bonds (distance) C4'-P energy: -140.208
bonds (distance) P-C4' energy: -148.998
flat angles C4'-P-C4' energy: -159.402
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -146.648
Dist. restrs. and SS energy: 9.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1968.437621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.437621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.927435 (E_RNA)
where:
Base-Base interactions energy: -1310.040
where: short stacking energy: -542.103
Base-Backbone interact. energy: -2.474
local terms energy: -659.413103
where:
bonds (distance) C4'-P energy: -137.128
bonds (distance) P-C4' energy: -135.304
flat angles C4'-P-C4' energy: -143.492
flat angles P-C4'-P energy: -93.132
tors. eta vs tors. theta energy: -150.358
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1889.877797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.877797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.876176 (E_RNA)
where:
Base-Base interactions energy: -1309.354
where: short stacking energy: -551.903
Base-Backbone interact. energy: 3.462
local terms energy: -586.984051
where:
bonds (distance) C4'-P energy: -103.204
bonds (distance) P-C4' energy: -122.764
flat angles C4'-P-C4' energy: -132.405
flat angles P-C4'-P energy: -96.287
tors. eta vs tors. theta energy: -132.324
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: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2914.660706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.660706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.002890 (E_RNA)
where:
Base-Base interactions energy: -2012.800
where: short stacking energy: -839.040
Base-Backbone interact. energy: -4.689
local terms energy: -899.514385
where:
bonds (distance) C4'-P energy: -160.993
bonds (distance) P-C4' energy: -158.828
flat angles C4'-P-C4' energy: -188.492
flat angles P-C4'-P energy: -128.211
tors. eta vs tors. theta energy: -262.990
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: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2753.908947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.908947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.525928 (E_RNA)
where:
Base-Base interactions energy: -1881.180
where: short stacking energy: -774.461
Base-Backbone interact. energy: -1.434
local terms energy: -873.911941
where:
bonds (distance) C4'-P energy: -172.933
bonds (distance) P-C4' energy: -158.291
flat angles C4'-P-C4' energy: -180.126
flat angles P-C4'-P energy: -125.541
tors. eta vs tors. theta energy: -237.021
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: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2710.183370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.183370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.356748 (E_RNA)
where:
Base-Base interactions energy: -1879.545
where: short stacking energy: -769.698
Base-Backbone interact. energy: -1.038
local terms energy: -831.774542
where:
bonds (distance) C4'-P energy: -159.547
bonds (distance) P-C4' energy: -151.935
flat angles C4'-P-C4' energy: -181.146
flat angles P-C4'-P energy: -117.591
tors. eta vs tors. theta energy: -221.556
Dist. restrs. and SS energy: 2.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2616.777856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.777856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.215892 (E_RNA)
where:
Base-Base interactions energy: -1808.689
where: short stacking energy: -753.941
Base-Backbone interact. energy: -0.104
local terms energy: -810.423066
where:
bonds (distance) C4'-P energy: -146.791
bonds (distance) P-C4' energy: -163.091
flat angles C4'-P-C4' energy: -179.940
flat angles P-C4'-P energy: -100.913
tors. eta vs tors. theta energy: -219.688
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2328.441636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.441636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.110695 (E_RNA)
where:
Base-Base interactions energy: -1581.597
where: short stacking energy: -662.268
Base-Backbone interact. energy: -1.739
local terms energy: -747.774863
where:
bonds (distance) C4'-P energy: -142.601
bonds (distance) P-C4' energy: -159.439
flat angles C4'-P-C4' energy: -148.884
flat angles P-C4'-P energy: -107.416
tors. eta vs tors. theta energy: -189.436
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: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2182.749706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.749706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.260568 (E_RNA)
where:
Base-Base interactions energy: -1471.786
where: short stacking energy: -626.132
Base-Backbone interact. energy: -2.199
local terms energy: -710.275486
where:
bonds (distance) C4'-P energy: -134.388
bonds (distance) P-C4' energy: -143.017
flat angles C4'-P-C4' energy: -160.866
flat angles P-C4'-P energy: -104.454
tors. eta vs tors. theta energy: -167.550
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: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2085.591494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.591494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.220014 (E_RNA)
where:
Base-Base interactions energy: -1413.629
where: short stacking energy: -623.752
Base-Backbone interact. energy: -1.194
local terms energy: -673.397591
where:
bonds (distance) C4'-P energy: -124.107
bonds (distance) P-C4' energy: -135.144
flat angles C4'-P-C4' energy: -161.413
flat angles P-C4'-P energy: -91.119
tors. eta vs tors. theta energy: -161.614
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: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2022.152453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.152453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.981981 (E_RNA)
where:
Base-Base interactions energy: -1358.365
where: short stacking energy: -577.385
Base-Backbone interact. energy: 1.521
local terms energy: -668.137299
where:
bonds (distance) C4'-P energy: -121.084
bonds (distance) P-C4' energy: -128.497
flat angles C4'-P-C4' energy: -156.420
flat angles P-C4'-P energy: -107.219
tors. eta vs tors. theta energy: -154.918
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: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1951.710915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.710915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.341468 (E_RNA)
where:
Base-Base interactions energy: -1337.056
where: short stacking energy: -564.798
Base-Backbone interact. energy: 8.020
local terms energy: -624.305334
where:
bonds (distance) C4'-P energy: -99.422
bonds (distance) P-C4' energy: -128.777
flat angles C4'-P-C4' energy: -136.650
flat angles P-C4'-P energy: -111.327
tors. eta vs tors. theta energy: -148.130
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: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1878.393546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.393546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.853106 (E_RNA)
where:
Base-Base interactions energy: -1298.355
where: short stacking energy: -538.295
Base-Backbone interact. energy: 0.986
local terms energy: -585.484786
where:
bonds (distance) C4'-P energy: -128.668
bonds (distance) P-C4' energy: -130.891
flat angles C4'-P-C4' energy: -138.993
flat angles P-C4'-P energy: -71.479
tors. eta vs tors. theta energy: -115.453
Dist. restrs. and SS energy: 4.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2929.434552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.434552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.921508 (E_RNA)
where:
Base-Base interactions energy: -2046.556
where: short stacking energy: -850.777
Base-Backbone interact. energy: -2.226
local terms energy: -883.139060
where:
bonds (distance) C4'-P energy: -155.723
bonds (distance) P-C4' energy: -138.206
flat angles C4'-P-C4' energy: -190.191
flat angles P-C4'-P energy: -138.893
tors. eta vs tors. theta energy: -260.125
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2758.474607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.474607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.355275 (E_RNA)
where:
Base-Base interactions energy: -1912.989
where: short stacking energy: -791.230
Base-Backbone interact. energy: 0.171
local terms energy: -848.536948
where:
bonds (distance) C4'-P energy: -150.680
bonds (distance) P-C4' energy: -168.649
flat angles C4'-P-C4' energy: -184.045
flat angles P-C4'-P energy: -123.195
tors. eta vs tors. theta energy: -221.969
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2730.759782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.759782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.290619 (E_RNA)
where:
Base-Base interactions energy: -1891.544
where: short stacking energy: -773.450
Base-Backbone interact. energy: -4.559
local terms energy: -837.187957
where:
bonds (distance) C4'-P energy: -150.892
bonds (distance) P-C4' energy: -162.342
flat angles C4'-P-C4' energy: -157.454
flat angles P-C4'-P energy: -131.908
tors. eta vs tors. theta energy: -234.592
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: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2594.828302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.828302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.685470 (E_RNA)
where:
Base-Base interactions energy: -1823.554
where: short stacking energy: -736.051
Base-Backbone interact. energy: -1.131
local terms energy: -772.000152
where:
bonds (distance) C4'-P energy: -152.818
bonds (distance) P-C4' energy: -147.700
flat angles C4'-P-C4' energy: -163.298
flat angles P-C4'-P energy: -98.533
tors. eta vs tors. theta energy: -209.650
Dist. restrs. and SS energy: 1.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2303.334320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.334320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.316999 (E_RNA)
where:
Base-Base interactions energy: -1559.582
where: short stacking energy: -644.553
Base-Backbone interact. energy: -2.646
local terms energy: -744.088777
where:
bonds (distance) C4'-P energy: -145.926
bonds (distance) P-C4' energy: -157.780
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -116.224
tors. eta vs tors. theta energy: -167.897
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2225.762048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.762048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.178633 (E_RNA)
where:
Base-Base interactions energy: -1498.083
where: short stacking energy: -639.857
Base-Backbone interact. energy: -0.123
local terms energy: -729.972661
where:
bonds (distance) C4'-P energy: -156.538
bonds (distance) P-C4' energy: -125.936
flat angles C4'-P-C4' energy: -161.974
flat angles P-C4'-P energy: -102.435
tors. eta vs tors. theta energy: -183.090
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2147.022521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.022521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.584740 (E_RNA)
where:
Base-Base interactions energy: -1457.366
where: short stacking energy: -616.661
Base-Backbone interact. energy: -0.032
local terms energy: -691.186274
where:
bonds (distance) C4'-P energy: -139.916
bonds (distance) P-C4' energy: -145.014
flat angles C4'-P-C4' energy: -158.123
flat angles P-C4'-P energy: -91.925
tors. eta vs tors. theta energy: -156.208
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: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1989.312663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.312663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.768588 (E_RNA)
where:
Base-Base interactions energy: -1374.466
where: short stacking energy: -553.662
Base-Backbone interact. energy: 6.496
local terms energy: -623.798746
where:
bonds (distance) C4'-P energy: -118.698
bonds (distance) P-C4' energy: -125.777
flat angles C4'-P-C4' energy: -127.497
flat angles P-C4'-P energy: -101.620
tors. eta vs tors. theta energy: -150.207
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: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1959.599290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.599290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.920249 (E_RNA)
where:
Base-Base interactions energy: -1307.870
where: short stacking energy: -535.988
Base-Backbone interact. energy: -0.675
local terms energy: -655.375123
where:
bonds (distance) C4'-P energy: -137.323
bonds (distance) P-C4' energy: -148.386
flat angles C4'-P-C4' energy: -139.986
flat angles P-C4'-P energy: -85.520
tors. eta vs tors. theta energy: -144.160
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1818.220586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.220586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.483437 (E_RNA)
where:
Base-Base interactions energy: -1193.403
where: short stacking energy: -505.206
Base-Backbone interact. energy: 9.490
local terms energy: -637.569730
where:
bonds (distance) C4'-P energy: -128.817
bonds (distance) P-C4' energy: -157.952
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -96.863
tors. eta vs tors. theta energy: -118.478
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2912.068516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.068516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.644818 (E_RNA)
where:
Base-Base interactions energy: -2011.422
where: short stacking energy: -837.100
Base-Backbone interact. energy: -3.609
local terms energy: -899.613232
where:
bonds (distance) C4'-P energy: -170.332
bonds (distance) P-C4' energy: -174.125
flat angles C4'-P-C4' energy: -177.968
flat angles P-C4'-P energy: -126.409
tors. eta vs tors. theta energy: -250.779
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2792.428152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.428152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.878537 (E_RNA)
where:
Base-Base interactions energy: -1913.617
where: short stacking energy: -812.385
Base-Backbone interact. energy: -2.373
local terms energy: -877.888658
where:
bonds (distance) C4'-P energy: -157.813
bonds (distance) P-C4' energy: -157.987
flat angles C4'-P-C4' energy: -184.674
flat angles P-C4'-P energy: -125.648
tors. eta vs tors. theta energy: -251.767
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2681.575097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.575097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.596427 (E_RNA)
where:
Base-Base interactions energy: -1853.370
where: short stacking energy: -779.488
Base-Backbone interact. energy: -6.051
local terms energy: -824.175284
where:
bonds (distance) C4'-P energy: -152.696
bonds (distance) P-C4' energy: -161.425
flat angles C4'-P-C4' energy: -159.528
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -235.716
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2595.045806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.045806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.776196 (E_RNA)
where:
Base-Base interactions energy: -1811.486
where: short stacking energy: -733.615
Base-Backbone interact. energy: -2.292
local terms energy: -782.997560
where:
bonds (distance) C4'-P energy: -148.379
bonds (distance) P-C4' energy: -139.531
flat angles C4'-P-C4' energy: -162.336
flat angles P-C4'-P energy: -129.933
tors. eta vs tors. theta energy: -202.818
Dist. restrs. and SS energy: 1.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2319.963869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.963869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.092695 (E_RNA)
where:
Base-Base interactions energy: -1598.067
where: short stacking energy: -660.625
Base-Backbone interact. energy: -3.248
local terms energy: -720.778173
where:
bonds (distance) C4'-P energy: -135.207
bonds (distance) P-C4' energy: -143.141
flat angles C4'-P-C4' energy: -161.036
flat angles P-C4'-P energy: -107.416
tors. eta vs tors. theta energy: -173.979
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: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2157.367403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.367403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.499371 (E_RNA)
where:
Base-Base interactions energy: -1462.534
where: short stacking energy: -628.031
Base-Backbone interact. energy: 4.018
local terms energy: -700.984164
where:
bonds (distance) C4'-P energy: -133.623
bonds (distance) P-C4' energy: -136.159
flat angles C4'-P-C4' energy: -167.980
flat angles P-C4'-P energy: -96.503
tors. eta vs tors. theta energy: -166.719
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: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2126.815534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.815534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.264548 (E_RNA)
where:
Base-Base interactions energy: -1442.828
where: short stacking energy: -634.514
Base-Backbone interact. energy: 0.977
local terms energy: -689.413524
where:
bonds (distance) C4'-P energy: -139.656
bonds (distance) P-C4' energy: -133.588
flat angles C4'-P-C4' energy: -161.532
flat angles P-C4'-P energy: -81.414
tors. eta vs tors. theta energy: -173.223
Dist. restrs. and SS energy: 4.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1988.870056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.870056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.961627 (E_RNA)
where:
Base-Base interactions energy: -1354.524
where: short stacking energy: -559.659
Base-Backbone interact. energy: 3.165
local terms energy: -639.602802
where:
bonds (distance) C4'-P energy: -138.384
bonds (distance) P-C4' energy: -143.913
flat angles C4'-P-C4' energy: -140.619
flat angles P-C4'-P energy: -65.395
tors. eta vs tors. theta energy: -151.292
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1902.255650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.255650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.672065 (E_RNA)
where:
Base-Base interactions energy: -1263.007
where: short stacking energy: -523.730
Base-Backbone interact. energy: 1.558
local terms energy: -644.222842
where:
bonds (distance) C4'-P energy: -125.916
bonds (distance) P-C4' energy: -149.060
flat angles C4'-P-C4' energy: -142.284
flat angles P-C4'-P energy: -95.261
tors. eta vs tors. theta energy: -131.702
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1894.129167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.129167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.312222 (E_RNA)
where:
Base-Base interactions energy: -1329.546
where: short stacking energy: -573.901
Base-Backbone interact. energy: -2.554
local terms energy: -564.211932
where:
bonds (distance) C4'-P energy: -106.612
bonds (distance) P-C4' energy: -113.454
flat angles C4'-P-C4' energy: -124.062
flat angles P-C4'-P energy: -91.160
tors. eta vs tors. theta energy: -128.925
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: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2918.867391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.867391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.372509 (E_RNA)
where:
Base-Base interactions energy: -2013.579
where: short stacking energy: -844.363
Base-Backbone interact. energy: -1.485
local terms energy: -906.308554
where:
bonds (distance) C4'-P energy: -165.286
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -183.487
flat angles P-C4'-P energy: -137.225
tors. eta vs tors. theta energy: -251.936
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2757.040562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.040562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.942667 (E_RNA)
where:
Base-Base interactions energy: -1936.679
where: short stacking energy: -808.264
Base-Backbone interact. energy: 1.259
local terms energy: -823.522550
where:
bonds (distance) C4'-P energy: -157.964
bonds (distance) P-C4' energy: -135.190
flat angles C4'-P-C4' energy: -185.488
flat angles P-C4'-P energy: -103.581
tors. eta vs tors. theta energy: -241.300
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: 364
Temperature: 1.000000
Total energy: -2695.549970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.549970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.418456 (E_RNA)
where:
Base-Base interactions energy: -1895.427
where: short stacking energy: -751.524
Base-Backbone interact. energy: 1.450
local terms energy: -803.441155
where:
bonds (distance) C4'-P energy: -149.409
bonds (distance) P-C4' energy: -152.670
flat angles C4'-P-C4' energy: -173.109
flat angles P-C4'-P energy: -114.608
tors. eta vs tors. theta energy: -213.646
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: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2605.134358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.134358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.364517 (E_RNA)
where:
Base-Base interactions energy: -1779.610
where: short stacking energy: -765.325
Base-Backbone interact. energy: 2.316
local terms energy: -829.070164
where:
bonds (distance) C4'-P energy: -152.658
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -166.864
flat angles P-C4'-P energy: -134.437
tors. eta vs tors. theta energy: -220.743
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: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2328.872459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.872459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.640110 (E_RNA)
where:
Base-Base interactions energy: -1594.475
where: short stacking energy: -681.630
Base-Backbone interact. energy: 1.878
local terms energy: -738.043200
where:
bonds (distance) C4'-P energy: -148.297
bonds (distance) P-C4' energy: -150.076
flat angles C4'-P-C4' energy: -160.753
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -186.849
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: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2199.949305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.949305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.129321 (E_RNA)
where:
Base-Base interactions energy: -1481.612
where: short stacking energy: -637.300
Base-Backbone interact. energy: 5.587
local terms energy: -727.104334
where:
bonds (distance) C4'-P energy: -139.278
bonds (distance) P-C4' energy: -141.596
flat angles C4'-P-C4' energy: -154.990
flat angles P-C4'-P energy: -101.120
tors. eta vs tors. theta energy: -190.121
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: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2071.930983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.930983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.752768 (E_RNA)
where:
Base-Base interactions energy: -1406.295
where: short stacking energy: -606.976
Base-Backbone interact. energy: -1.307
local terms energy: -666.150746
where:
bonds (distance) C4'-P energy: -132.284
bonds (distance) P-C4' energy: -132.383
flat angles C4'-P-C4' energy: -155.622
flat angles P-C4'-P energy: -79.942
tors. eta vs tors. theta energy: -165.919
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: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1992.798243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.798243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.363321 (E_RNA)
where:
Base-Base interactions energy: -1316.351
where: short stacking energy: -588.492
Base-Backbone interact. energy: 1.826
local terms energy: -680.838247
where:
bonds (distance) C4'-P energy: -142.804
bonds (distance) P-C4' energy: -150.148
flat angles C4'-P-C4' energy: -135.905
flat angles P-C4'-P energy: -98.897
tors. eta vs tors. theta energy: -153.084
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1949.104157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.104157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.320208 (E_RNA)
where:
Base-Base interactions energy: -1302.763
where: short stacking energy: -544.407
Base-Backbone interact. energy: -1.470
local terms energy: -649.087307
where:
bonds (distance) C4'-P energy: -138.123
bonds (distance) P-C4' energy: -129.328
flat angles C4'-P-C4' energy: -151.061
flat angles P-C4'-P energy: -93.951
tors. eta vs tors. theta energy: -136.623
Dist. restrs. and SS energy: 4.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1892.452459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.452459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.340517 (E_RNA)
where:
Base-Base interactions energy: -1294.523
where: short stacking energy: -546.223
Base-Backbone interact. energy: 2.830
local terms energy: -606.647547
where:
bonds (distance) C4'-P energy: -123.171
bonds (distance) P-C4' energy: -127.502
flat angles C4'-P-C4' energy: -133.239
flat angles P-C4'-P energy: -87.958
tors. eta vs tors. theta energy: -134.777
Dist. restrs. and SS energy: 5.888 (S_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: 365
Temperature: 0.900000
Total energy: -2935.605510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.605510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.140130 (E_RNA)
where:
Base-Base interactions energy: -2058.699
where: short stacking energy: -854.164
Base-Backbone interact. energy: 3.346
local terms energy: -882.787683
where:
bonds (distance) C4'-P energy: -169.739
bonds (distance) P-C4' energy: -147.386
flat angles C4'-P-C4' energy: -178.215
flat angles P-C4'-P energy: -134.824
tors. eta vs tors. theta energy: -252.623
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: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2755.187254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.187254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.788867 (E_RNA)
where:
Base-Base interactions energy: -1927.186
where: short stacking energy: -799.632
Base-Backbone interact. energy: -3.168
local terms energy: -825.435334
where:
bonds (distance) C4'-P energy: -144.616
bonds (distance) P-C4' energy: -144.906
flat angles C4'-P-C4' energy: -180.310
flat angles P-C4'-P energy: -122.598
tors. eta vs tors. theta energy: -233.005
Dist. restrs. and SS energy: 0.602 (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: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2700.630731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.630731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.624104 (E_RNA)
where:
Base-Base interactions energy: -1889.099
where: short stacking energy: -782.151
Base-Backbone interact. energy: 1.392
local terms energy: -814.917127
where:
bonds (distance) C4'-P energy: -160.220
bonds (distance) P-C4' energy: -150.054
flat angles C4'-P-C4' energy: -166.694
flat angles P-C4'-P energy: -110.221
tors. eta vs tors. theta energy: -227.727
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2630.218733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.218733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.419400 (E_RNA)
where:
Base-Base interactions energy: -1811.371
where: short stacking energy: -777.028
Base-Backbone interact. energy: -1.176
local terms energy: -819.872344
where:
bonds (distance) C4'-P energy: -139.685
bonds (distance) P-C4' energy: -161.936
flat angles C4'-P-C4' energy: -184.573
flat angles P-C4'-P energy: -109.559
tors. eta vs tors. theta energy: -224.119
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: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2344.179366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.179366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.523991 (E_RNA)
where:
Base-Base interactions energy: -1589.339
where: short stacking energy: -711.191
Base-Backbone interact. energy: -2.315
local terms energy: -754.870080
where:
bonds (distance) C4'-P energy: -148.315
bonds (distance) P-C4' energy: -134.018
flat angles C4'-P-C4' energy: -170.762
flat angles P-C4'-P energy: -112.804
tors. eta vs tors. theta energy: -188.971
Dist. restrs. and SS energy: 2.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2193.978884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.978884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.744292 (E_RNA)
where:
Base-Base interactions energy: -1510.338
where: short stacking energy: -633.017
Base-Backbone interact. energy: -5.826
local terms energy: -679.580360
where:
bonds (distance) C4'-P energy: -129.834
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -173.622
flat angles P-C4'-P energy: -97.041
tors. eta vs tors. theta energy: -164.968
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2115.057241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.057241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.668260 (E_RNA)
where:
Base-Base interactions energy: -1425.495
where: short stacking energy: -624.155
Base-Backbone interact. energy: -4.093
local terms energy: -688.079902
where:
bonds (distance) C4'-P energy: -133.445
bonds (distance) P-C4' energy: -119.145
flat angles C4'-P-C4' energy: -162.468
flat angles P-C4'-P energy: -97.468
tors. eta vs tors. theta energy: -175.553
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: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1964.469587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.469587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.780197 (E_RNA)
where:
Base-Base interactions energy: -1322.755
where: short stacking energy: -558.174
Base-Backbone interact. energy: -2.226
local terms energy: -641.799628
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -128.692
flat angles C4'-P-C4' energy: -160.458
flat angles P-C4'-P energy: -79.465
tors. eta vs tors. theta energy: -150.619
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: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1913.237654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.237654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.776156 (E_RNA)
where:
Base-Base interactions energy: -1311.883
where: short stacking energy: -563.352
Base-Backbone interact. energy: 6.826
local terms energy: -612.719217
where:
bonds (distance) C4'-P energy: -123.716
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -144.637
flat angles P-C4'-P energy: -80.752
tors. eta vs tors. theta energy: -148.939
Dist. restrs. and SS energy: 4.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1865.325938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.325938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.307489 (E_RNA)
where:
Base-Base interactions energy: -1306.885
where: short stacking energy: -542.685
Base-Backbone interact. energy: 1.541
local terms energy: -562.963758
where:
bonds (distance) C4'-P energy: -119.658
bonds (distance) P-C4' energy: -138.983
flat angles C4'-P-C4' energy: -96.405
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -129.780
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: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2918.533356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.533356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.462516 (E_RNA)
where:
Base-Base interactions energy: -2041.388
where: short stacking energy: -849.038
Base-Backbone interact. energy: 5.222
local terms energy: -885.296311
where:
bonds (distance) C4'-P energy: -154.803
bonds (distance) P-C4' energy: -164.186
flat angles C4'-P-C4' energy: -184.937
flat angles P-C4'-P energy: -131.510
tors. eta vs tors. theta energy: -249.860
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2738.902933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.902933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.646544 (E_RNA)
where:
Base-Base interactions energy: -1876.020
where: short stacking energy: -789.050
Base-Backbone interact. energy: 3.444
local terms energy: -868.070949
where:
bonds (distance) C4'-P energy: -167.199
bonds (distance) P-C4' energy: -147.244
flat angles C4'-P-C4' energy: -175.541
flat angles P-C4'-P energy: -135.103
tors. eta vs tors. theta energy: -242.983
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2731.227654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.227654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.183547 (E_RNA)
where:
Base-Base interactions energy: -1914.493
where: short stacking energy: -793.348
Base-Backbone interact. energy: -4.252
local terms energy: -814.438465
where:
bonds (distance) C4'-P energy: -139.540
bonds (distance) P-C4' energy: -157.638
flat angles C4'-P-C4' energy: -177.858
flat angles P-C4'-P energy: -102.672
tors. eta vs tors. theta energy: -236.732
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: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2542.556292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.556292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.743828 (E_RNA)
where:
Base-Base interactions energy: -1765.079
where: short stacking energy: -721.063
Base-Backbone interact. energy: 3.552
local terms energy: -782.216577
where:
bonds (distance) C4'-P energy: -139.404
bonds (distance) P-C4' energy: -142.863
flat angles C4'-P-C4' energy: -174.469
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -207.818
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2342.039271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.039271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.703442 (E_RNA)
where:
Base-Base interactions energy: -1630.994
where: short stacking energy: -698.953
Base-Backbone interact. energy: 0.912
local terms energy: -713.621540
where:
bonds (distance) C4'-P energy: -125.870
bonds (distance) P-C4' energy: -147.383
flat angles C4'-P-C4' energy: -155.950
flat angles P-C4'-P energy: -99.085
tors. eta vs tors. theta energy: -185.334
Dist. restrs. and SS energy: 1.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2193.183292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.183292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.712949 (E_RNA)
where:
Base-Base interactions energy: -1504.471
where: short stacking energy: -654.645
Base-Backbone interact. energy: 1.501
local terms energy: -691.742849
where:
bonds (distance) C4'-P energy: -131.486
bonds (distance) P-C4' energy: -122.783
flat angles C4'-P-C4' energy: -158.646
flat angles P-C4'-P energy: -102.697
tors. eta vs tors. theta energy: -176.131
Dist. restrs. and SS energy: 1.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2130.415942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.415942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.890352 (E_RNA)
where:
Base-Base interactions energy: -1447.876
where: short stacking energy: -615.473
Base-Backbone interact. energy: -0.432
local terms energy: -684.581605
where:
bonds (distance) C4'-P energy: -137.050
bonds (distance) P-C4' energy: -143.382
flat angles C4'-P-C4' energy: -148.386
flat angles P-C4'-P energy: -95.559
tors. eta vs tors. theta energy: -160.204
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: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2026.442084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.442084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.715816 (E_RNA)
where:
Base-Base interactions energy: -1394.216
where: short stacking energy: -601.698
Base-Backbone interact. energy: 4.819
local terms energy: -639.319107
where:
bonds (distance) C4'-P energy: -109.721
bonds (distance) P-C4' energy: -120.331
flat angles C4'-P-C4' energy: -155.478
flat angles P-C4'-P energy: -90.768
tors. eta vs tors. theta energy: -163.021
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: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1962.805549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.805549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.967799 (E_RNA)
where:
Base-Base interactions energy: -1321.068
where: short stacking energy: -558.028
Base-Backbone interact. energy: 0.940
local terms energy: -645.840193
where:
bonds (distance) C4'-P energy: -121.289
bonds (distance) P-C4' energy: -121.325
flat angles C4'-P-C4' energy: -160.319
flat angles P-C4'-P energy: -82.440
tors. eta vs tors. theta energy: -160.468
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: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1792.853051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.853051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.202596 (E_RNA)
where:
Base-Base interactions energy: -1269.324
where: short stacking energy: -525.615
Base-Backbone interact. energy: 5.244
local terms energy: -532.122622
where:
bonds (distance) C4'-P energy: -85.587
bonds (distance) P-C4' energy: -134.489
flat angles C4'-P-C4' energy: -119.006
flat angles P-C4'-P energy: -87.646
tors. eta vs tors. theta energy: -105.394
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2923.547765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.547765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.087571 (E_RNA)
where:
Base-Base interactions energy: -2036.913
where: short stacking energy: -839.748
Base-Backbone interact. energy: -2.049
local terms energy: -886.125260
where:
bonds (distance) C4'-P energy: -171.657
bonds (distance) P-C4' energy: -164.053
flat angles C4'-P-C4' energy: -187.029
flat angles P-C4'-P energy: -123.920
tors. eta vs tors. theta energy: -239.465
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2787.969988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.969988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.099798 (E_RNA)
where:
Base-Base interactions energy: -1909.365
where: short stacking energy: -790.670
Base-Backbone interact. energy: -0.083
local terms energy: -879.652154
where:
bonds (distance) C4'-P energy: -158.899
bonds (distance) P-C4' energy: -154.620
flat angles C4'-P-C4' energy: -178.336
flat angles P-C4'-P energy: -130.550
tors. eta vs tors. theta energy: -257.248
Dist. restrs. and SS energy: 1.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2710.558499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.558499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.428680 (E_RNA)
where:
Base-Base interactions energy: -1885.151
where: short stacking energy: -738.529
Base-Backbone interact. energy: -5.122
local terms energy: -821.155023
where:
bonds (distance) C4'-P energy: -159.393
bonds (distance) P-C4' energy: -168.341
flat angles C4'-P-C4' energy: -164.288
flat angles P-C4'-P energy: -103.091
tors. eta vs tors. theta energy: -226.041
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2591.714249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.714249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.272539 (E_RNA)
where:
Base-Base interactions energy: -1820.397
where: short stacking energy: -767.822
Base-Backbone interact. energy: -0.487
local terms energy: -772.388652
where:
bonds (distance) C4'-P energy: -127.099
bonds (distance) P-C4' energy: -138.971
flat angles C4'-P-C4' energy: -168.207
flat angles P-C4'-P energy: -117.633
tors. eta vs tors. theta energy: -220.479
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: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2355.683142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.817867 (E_RNA)
where:
Base-Base interactions energy: -1594.456
where: short stacking energy: -665.200
Base-Backbone interact. energy: -2.830
local terms energy: -760.530942
where:
bonds (distance) C4'-P energy: -136.900
bonds (distance) P-C4' energy: -158.156
flat angles C4'-P-C4' energy: -168.442
flat angles P-C4'-P energy: -117.007
tors. eta vs tors. theta energy: -180.026
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: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2207.530321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.530321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.313418 (E_RNA)
where:
Base-Base interactions energy: -1495.875
where: short stacking energy: -634.006
Base-Backbone interact. energy: -0.239
local terms energy: -713.199318
where:
bonds (distance) C4'-P energy: -143.271
bonds (distance) P-C4' energy: -153.443
flat angles C4'-P-C4' energy: -150.803
flat angles P-C4'-P energy: -100.239
tors. eta vs tors. theta energy: -165.442
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2093.713627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.713627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.580907 (E_RNA)
where:
Base-Base interactions energy: -1415.740
where: short stacking energy: -642.431
Base-Backbone interact. energy: -2.307
local terms energy: -678.533120
where:
bonds (distance) C4'-P energy: -121.301
bonds (distance) P-C4' energy: -132.958
flat angles C4'-P-C4' energy: -147.754
flat angles P-C4'-P energy: -110.184
tors. eta vs tors. theta energy: -166.336
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: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2013.053360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.053360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.593007 (E_RNA)
where:
Base-Base interactions energy: -1379.624
where: short stacking energy: -559.075
Base-Backbone interact. energy: -1.110
local terms energy: -633.858770
where:
bonds (distance) C4'-P energy: -136.416
bonds (distance) P-C4' energy: -135.768
flat angles C4'-P-C4' energy: -134.448
flat angles P-C4'-P energy: -96.902
tors. eta vs tors. theta energy: -130.324
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: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2005.218082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.218082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.224286 (E_RNA)
where:
Base-Base interactions energy: -1393.877
where: short stacking energy: -610.844
Base-Backbone interact. energy: 5.586
local terms energy: -618.933253
where:
bonds (distance) C4'-P energy: -123.412
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -141.246
flat angles P-C4'-P energy: -82.059
tors. eta vs tors. theta energy: -154.441
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: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1867.187960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.187960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.008139 (E_RNA)
where:
Base-Base interactions energy: -1264.077
where: short stacking energy: -534.421
Base-Backbone interact. energy: -0.477
local terms energy: -606.454379
where:
bonds (distance) C4'-P energy: -123.604
bonds (distance) P-C4' energy: -119.111
flat angles C4'-P-C4' energy: -147.616
flat angles P-C4'-P energy: -75.639
tors. eta vs tors. theta energy: -140.484
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: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2931.463414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.463414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.332820 (E_RNA)
where:
Base-Base interactions energy: -2038.385
where: short stacking energy: -823.012
Base-Backbone interact. energy: 0.334
local terms energy: -895.281727
where:
bonds (distance) C4'-P energy: -171.991
bonds (distance) P-C4' energy: -171.221
flat angles C4'-P-C4' energy: -184.051
flat angles P-C4'-P energy: -126.966
tors. eta vs tors. theta energy: -241.052
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: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2778.515980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.515980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.454604 (E_RNA)
where:
Base-Base interactions energy: -1927.038
where: short stacking energy: -821.598
Base-Backbone interact. energy: -0.751
local terms energy: -852.665527
where:
bonds (distance) C4'-P energy: -164.140
bonds (distance) P-C4' energy: -163.117
flat angles C4'-P-C4' energy: -167.362
flat angles P-C4'-P energy: -117.109
tors. eta vs tors. theta energy: -240.937
Dist. restrs. and SS energy: 1.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2728.079794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.079794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.987485 (E_RNA)
where:
Base-Base interactions energy: -1919.932
where: short stacking energy: -775.197
Base-Backbone interact. energy: -0.494
local terms energy: -809.560754
where:
bonds (distance) C4'-P energy: -146.987
bonds (distance) P-C4' energy: -140.187
flat angles C4'-P-C4' energy: -182.048
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -222.311
Dist. restrs. and SS energy: 1.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2611.972557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.972557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.168571 (E_RNA)
where:
Base-Base interactions energy: -1803.693
where: short stacking energy: -731.160
Base-Backbone interact. energy: 4.318
local terms energy: -813.793502
where:
bonds (distance) C4'-P energy: -137.905
bonds (distance) P-C4' energy: -152.960
flat angles C4'-P-C4' energy: -188.375
flat angles P-C4'-P energy: -116.602
tors. eta vs tors. theta energy: -217.951
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: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2333.539078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.539078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.708253 (E_RNA)
where:
Base-Base interactions energy: -1600.656
where: short stacking energy: -681.438
Base-Backbone interact. energy: -1.870
local terms energy: -733.181713
where:
bonds (distance) C4'-P energy: -144.483
bonds (distance) P-C4' energy: -130.413
flat angles C4'-P-C4' energy: -150.712
flat angles P-C4'-P energy: -118.684
tors. eta vs tors. theta energy: -188.890
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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2206.367129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.367129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.351456 (E_RNA)
where:
Base-Base interactions energy: -1468.951
where: short stacking energy: -644.176
Base-Backbone interact. energy: -3.812
local terms energy: -735.587841
where:
bonds (distance) C4'-P energy: -137.168
bonds (distance) P-C4' energy: -158.071
flat angles C4'-P-C4' energy: -166.285
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -173.398
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2094.902675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.902675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.662245 (E_RNA)
where:
Base-Base interactions energy: -1423.368
where: short stacking energy: -604.058
Base-Backbone interact. energy: 0.916
local terms energy: -674.209766
where:
bonds (distance) C4'-P energy: -139.982
bonds (distance) P-C4' energy: -143.263
flat angles C4'-P-C4' energy: -144.377
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -170.187
Dist. restrs. and SS energy: 1.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1964.035085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.035085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.395530 (E_RNA)
where:
Base-Base interactions energy: -1352.948
where: short stacking energy: -599.496
Base-Backbone interact. energy: 1.705
local terms energy: -617.152997
where:
bonds (distance) C4'-P energy: -108.105
bonds (distance) P-C4' energy: -131.186
flat angles C4'-P-C4' energy: -146.284
flat angles P-C4'-P energy: -85.069
tors. eta vs tors. theta energy: -146.509
Dist. restrs. and SS energy: 4.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1988.237209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.237209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.713959 (E_RNA)
where:
Base-Base interactions energy: -1358.839
where: short stacking energy: -573.710
Base-Backbone interact. energy: 0.035
local terms energy: -631.910441
where:
bonds (distance) C4'-P energy: -128.991
bonds (distance) P-C4' energy: -134.765
flat angles C4'-P-C4' energy: -126.113
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -156.068
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: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1798.846860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.846860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.267134 (E_RNA)
where:
Base-Base interactions energy: -1214.333
where: short stacking energy: -512.263
Base-Backbone interact. energy: 4.760
local terms energy: -592.694096
where:
bonds (distance) C4'-P energy: -123.282
bonds (distance) P-C4' energy: -143.379
flat angles C4'-P-C4' energy: -134.453
flat angles P-C4'-P energy: -72.008
tors. eta vs tors. theta energy: -119.572
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: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2930.020945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.020945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.181288 (E_RNA)
where:
Base-Base interactions energy: -2055.068
where: short stacking energy: -836.781
Base-Backbone interact. energy: -3.013
local terms energy: -874.099703
where:
bonds (distance) C4'-P energy: -150.807
bonds (distance) P-C4' energy: -160.350
flat angles C4'-P-C4' energy: -189.211
flat angles P-C4'-P energy: -126.528
tors. eta vs tors. theta energy: -247.204
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: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2738.092344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.092344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.660397 (E_RNA)
where:
Base-Base interactions energy: -1923.910
where: short stacking energy: -768.973
Base-Backbone interact. energy: 1.792
local terms energy: -817.542614
where:
bonds (distance) C4'-P energy: -139.860
bonds (distance) P-C4' energy: -162.314
flat angles C4'-P-C4' energy: -164.656
flat angles P-C4'-P energy: -124.421
tors. eta vs tors. theta energy: -226.291
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: 3, replica: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2748.895124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.895124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.835396 (E_RNA)
where:
Base-Base interactions energy: -1881.107
where: short stacking energy: -805.642
Base-Backbone interact. energy: -0.714
local terms energy: -869.014589
where:
bonds (distance) C4'-P energy: -169.811
bonds (distance) P-C4' energy: -140.472
flat angles C4'-P-C4' energy: -182.553
flat angles P-C4'-P energy: -124.361
tors. eta vs tors. theta energy: -251.817
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2615.306285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.306285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.184667 (E_RNA)
where:
Base-Base interactions energy: -1853.355
where: short stacking energy: -749.303
Base-Backbone interact. energy: -0.727
local terms energy: -763.103167
where:
bonds (distance) C4'-P energy: -138.184
bonds (distance) P-C4' energy: -129.900
flat angles C4'-P-C4' energy: -174.147
flat angles P-C4'-P energy: -97.075
tors. eta vs tors. theta energy: -223.798
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: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2331.523360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.523360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.512602 (E_RNA)
where:
Base-Base interactions energy: -1599.693
where: short stacking energy: -665.990
Base-Backbone interact. energy: -0.448
local terms energy: -733.371527
where:
bonds (distance) C4'-P energy: -129.935
bonds (distance) P-C4' energy: -141.606
flat angles C4'-P-C4' energy: -170.843
flat angles P-C4'-P energy: -110.696
tors. eta vs tors. theta energy: -180.291
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: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2220.633141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.633141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.727818 (E_RNA)
where:
Base-Base interactions energy: -1499.744
where: short stacking energy: -661.277
Base-Backbone interact. energy: 0.838
local terms energy: -723.822095
where:
bonds (distance) C4'-P energy: -100.824
bonds (distance) P-C4' energy: -152.801
flat angles C4'-P-C4' energy: -174.799
flat angles P-C4'-P energy: -106.222
tors. eta vs tors. theta energy: -189.176
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: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2106.533919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.533919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.963477 (E_RNA)
where:
Base-Base interactions energy: -1407.023
where: short stacking energy: -599.971
Base-Backbone interact. energy: -1.067
local terms energy: -701.873856
where:
bonds (distance) C4'-P energy: -125.595
bonds (distance) P-C4' energy: -160.012
flat angles C4'-P-C4' energy: -168.897
flat angles P-C4'-P energy: -82.078
tors. eta vs tors. theta energy: -165.291
Dist. restrs. and SS energy: 3.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2001.294088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.294088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.958952 (E_RNA)
where:
Base-Base interactions energy: -1352.189
where: short stacking energy: -592.708
Base-Backbone interact. energy: -3.434
local terms energy: -649.336093
where:
bonds (distance) C4'-P energy: -127.012
bonds (distance) P-C4' energy: -139.294
flat angles C4'-P-C4' energy: -137.023
flat angles P-C4'-P energy: -101.256
tors. eta vs tors. theta energy: -144.751
Dist. restrs. and SS energy: 3.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1973.141344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.590590 (E_RNA)
where:
Base-Base interactions energy: -1320.478
where: short stacking energy: -557.636
Base-Backbone interact. energy: 1.576
local terms energy: -657.688190
where:
bonds (distance) C4'-P energy: -125.915
bonds (distance) P-C4' energy: -148.027
flat angles C4'-P-C4' energy: -139.961
flat angles P-C4'-P energy: -91.074
tors. eta vs tors. theta energy: -152.712
Dist. restrs. and SS energy: 3.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1797.315168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.315168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.089742 (E_RNA)
where:
Base-Base interactions energy: -1206.974
where: short stacking energy: -480.349
Base-Backbone interact. energy: -2.071
local terms energy: -597.045525
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -143.846
flat angles C4'-P-C4' energy: -141.456
flat angles P-C4'-P energy: -90.750
tors. eta vs tors. theta energy: -112.913
Dist. restrs. and SS energy: 8.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2891.236967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.236967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.798206 (E_RNA)
where:
Base-Base interactions energy: -2017.469
where: short stacking energy: -843.339
Base-Backbone interact. energy: 2.861
local terms energy: -879.190292
where:
bonds (distance) C4'-P energy: -149.728
bonds (distance) P-C4' energy: -171.843
flat angles C4'-P-C4' energy: -186.507
flat angles P-C4'-P energy: -129.464
tors. eta vs tors. theta energy: -241.649
Dist. restrs. and SS energy: 2.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2782.237017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.237017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.062234 (E_RNA)
where:
Base-Base interactions energy: -1925.129
where: short stacking energy: -824.125
Base-Backbone interact. energy: -1.546
local terms energy: -857.387362
where:
bonds (distance) C4'-P energy: -163.551
bonds (distance) P-C4' energy: -155.889
flat angles C4'-P-C4' energy: -191.140
flat angles P-C4'-P energy: -113.466
tors. eta vs tors. theta energy: -233.341
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: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2752.998462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.998462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.967194 (E_RNA)
where:
Base-Base interactions energy: -1929.418
where: short stacking energy: -813.416
Base-Backbone interact. energy: -0.171
local terms energy: -825.378465
where:
bonds (distance) C4'-P energy: -144.635
bonds (distance) P-C4' energy: -149.964
flat angles C4'-P-C4' energy: -163.087
flat angles P-C4'-P energy: -127.030
tors. eta vs tors. theta energy: -240.662
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: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2639.782633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.782633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.850180 (E_RNA)
where:
Base-Base interactions energy: -1844.069
where: short stacking energy: -755.795
Base-Backbone interact. energy: -2.363
local terms energy: -795.418006
where:
bonds (distance) C4'-P energy: -151.738
bonds (distance) P-C4' energy: -145.347
flat angles C4'-P-C4' energy: -168.194
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -213.700
Dist. restrs. and SS energy: 2.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2319.131122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.131122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.559384 (E_RNA)
where:
Base-Base interactions energy: -1578.323
where: short stacking energy: -670.370
Base-Backbone interact. energy: -1.596
local terms energy: -740.640048
where:
bonds (distance) C4'-P energy: -142.260
bonds (distance) P-C4' energy: -138.756
flat angles C4'-P-C4' energy: -158.686
flat angles P-C4'-P energy: -111.209
tors. eta vs tors. theta energy: -189.729
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: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2169.481458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.481458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.760998 (E_RNA)
where:
Base-Base interactions energy: -1477.501
where: short stacking energy: -663.883
Base-Backbone interact. energy: -3.271
local terms energy: -690.988886
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -145.377
flat angles C4'-P-C4' energy: -158.127
flat angles P-C4'-P energy: -99.475
tors. eta vs tors. theta energy: -167.661
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: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2106.383905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.383905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.991681 (E_RNA)
where:
Base-Base interactions energy: -1410.607
where: short stacking energy: -608.389
Base-Backbone interact. energy: -2.730
local terms energy: -695.654497
where:
bonds (distance) C4'-P energy: -129.077
bonds (distance) P-C4' energy: -131.271
flat angles C4'-P-C4' energy: -157.413
flat angles P-C4'-P energy: -110.914
tors. eta vs tors. theta energy: -166.979
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: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2023.176770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.176770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.581180 (E_RNA)
where:
Base-Base interactions energy: -1329.557
where: short stacking energy: -567.051
Base-Backbone interact. energy: -2.029
local terms energy: -694.995072
where:
bonds (distance) C4'-P energy: -138.228
bonds (distance) P-C4' energy: -146.016
flat angles C4'-P-C4' energy: -162.057
flat angles P-C4'-P energy: -104.135
tors. eta vs tors. theta energy: -144.559
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1955.824707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.824707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.497047 (E_RNA)
where:
Base-Base interactions energy: -1322.233
where: short stacking energy: -539.310
Base-Backbone interact. energy: -0.652
local terms energy: -635.612291
where:
bonds (distance) C4'-P energy: -122.411
bonds (distance) P-C4' energy: -138.895
flat angles C4'-P-C4' energy: -145.159
flat angles P-C4'-P energy: -87.511
tors. eta vs tors. theta energy: -141.637
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: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1870.491691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.491691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.162920 (E_RNA)
where:
Base-Base interactions energy: -1253.170
where: short stacking energy: -512.348
Base-Backbone interact. energy: 0.844
local terms energy: -620.837791
where:
bonds (distance) C4'-P energy: -129.255
bonds (distance) P-C4' energy: -129.023
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -91.238
tors. eta vs tors. theta energy: -135.311
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2934.928925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.928925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.809477 (E_RNA)
where:
Base-Base interactions energy: -2046.492
where: short stacking energy: -855.778
Base-Backbone interact. energy: -1.551
local terms energy: -889.766197
where:
bonds (distance) C4'-P energy: -171.031
bonds (distance) P-C4' energy: -172.122
flat angles C4'-P-C4' energy: -179.464
flat angles P-C4'-P energy: -118.989
tors. eta vs tors. theta energy: -248.160
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2764.130409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.130409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.406659 (E_RNA)
where:
Base-Base interactions energy: -1932.500
where: short stacking energy: -814.817
Base-Backbone interact. energy: -0.429
local terms energy: -832.478045
where:
bonds (distance) C4'-P energy: -162.185
bonds (distance) P-C4' energy: -152.781
flat angles C4'-P-C4' energy: -176.607
flat angles P-C4'-P energy: -110.520
tors. eta vs tors. theta energy: -230.385
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2773.342283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.342283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.971620 (E_RNA)
where:
Base-Base interactions energy: -1930.404
where: short stacking energy: -822.495
Base-Backbone interact. energy: -1.475
local terms energy: -844.091835
where:
bonds (distance) C4'-P energy: -153.754
bonds (distance) P-C4' energy: -166.103
flat angles C4'-P-C4' energy: -167.828
flat angles P-C4'-P energy: -110.458
tors. eta vs tors. theta energy: -245.949
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: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2621.314372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.314372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.005474 (E_RNA)
where:
Base-Base interactions energy: -1819.082
where: short stacking energy: -733.699
Base-Backbone interact. energy: -3.786
local terms energy: -800.137517
where:
bonds (distance) C4'-P energy: -155.473
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -180.703
flat angles P-C4'-P energy: -104.613
tors. eta vs tors. theta energy: -217.469
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: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2345.737153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.737153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.856839 (E_RNA)
where:
Base-Base interactions energy: -1584.204
where: short stacking energy: -669.417
Base-Backbone interact. energy: -3.478
local terms energy: -760.174938
where:
bonds (distance) C4'-P energy: -156.400
bonds (distance) P-C4' energy: -140.498
flat angles C4'-P-C4' energy: -165.641
flat angles P-C4'-P energy: -112.309
tors. eta vs tors. theta energy: -185.327
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: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2222.769783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.769783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.509008 (E_RNA)
where:
Base-Base interactions energy: -1510.187
where: short stacking energy: -636.408
Base-Backbone interact. energy: -2.426
local terms energy: -712.895887
where:
bonds (distance) C4'-P energy: -130.685
bonds (distance) P-C4' energy: -135.579
flat angles C4'-P-C4' energy: -160.370
flat angles P-C4'-P energy: -100.338
tors. eta vs tors. theta energy: -185.925
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: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2127.955111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.955111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.600567 (E_RNA)
where:
Base-Base interactions energy: -1444.282
where: short stacking energy: -620.774
Base-Backbone interact. energy: -1.716
local terms energy: -684.602518
where:
bonds (distance) C4'-P energy: -100.424
bonds (distance) P-C4' energy: -130.131
flat angles C4'-P-C4' energy: -167.695
flat angles P-C4'-P energy: -114.723
tors. eta vs tors. theta energy: -171.629
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: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1999.140095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.140095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.762930 (E_RNA)
where:
Base-Base interactions energy: -1346.902
where: short stacking energy: -582.165
Base-Backbone interact. energy: -1.491
local terms energy: -653.369960
where:
bonds (distance) C4'-P energy: -126.244
bonds (distance) P-C4' energy: -149.194
flat angles C4'-P-C4' energy: -150.563
flat angles P-C4'-P energy: -83.315
tors. eta vs tors. theta energy: -144.054
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: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -2019.363879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.363879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.586994 (E_RNA)
where:
Base-Base interactions energy: -1373.431
where: short stacking energy: -598.503
Base-Backbone interact. energy: -0.296
local terms energy: -647.859539
where:
bonds (distance) C4'-P energy: -123.999
bonds (distance) P-C4' energy: -130.045
flat angles C4'-P-C4' energy: -129.755
flat angles P-C4'-P energy: -96.921
tors. eta vs tors. theta energy: -167.140
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1886.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.213880 (E_RNA)
where:
Base-Base interactions energy: -1297.754
where: short stacking energy: -529.687
Base-Backbone interact. energy: -1.460
local terms energy: -592.000121
where:
bonds (distance) C4'-P energy: -116.442
bonds (distance) P-C4' energy: -138.153
flat angles C4'-P-C4' energy: -141.289
flat angles P-C4'-P energy: -64.937
tors. eta vs tors. theta energy: -131.180
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2889.094168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.094168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.562285 (E_RNA)
where:
Base-Base interactions energy: -2004.398
where: short stacking energy: -815.091
Base-Backbone interact. energy: -2.304
local terms energy: -884.859683
where:
bonds (distance) C4'-P energy: -169.148
bonds (distance) P-C4' energy: -176.189
flat angles C4'-P-C4' energy: -187.976
flat angles P-C4'-P energy: -117.550
tors. eta vs tors. theta energy: -233.997
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2775.882953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.882953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.467290 (E_RNA)
where:
Base-Base interactions energy: -1933.011
where: short stacking energy: -829.224
Base-Backbone interact. energy: -1.238
local terms energy: -843.218580
where:
bonds (distance) C4'-P energy: -151.444
bonds (distance) P-C4' energy: -163.112
flat angles C4'-P-C4' energy: -173.915
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -237.437
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: 372
Temperature: 1.000000
Total energy: -2746.756855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.756855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.073410 (E_RNA)
where:
Base-Base interactions energy: -1905.756
where: short stacking energy: -797.939
Base-Backbone interact. energy: 1.097
local terms energy: -844.414373
where:
bonds (distance) C4'-P energy: -135.407
bonds (distance) P-C4' energy: -150.522
flat angles C4'-P-C4' energy: -185.265
flat angles P-C4'-P energy: -131.186
tors. eta vs tors. theta energy: -242.036
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: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2661.311238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.311238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.374299 (E_RNA)
where:
Base-Base interactions energy: -1851.904
where: short stacking energy: -765.452
Base-Backbone interact. energy: 1.632
local terms energy: -812.102697
where:
bonds (distance) C4'-P energy: -170.064
bonds (distance) P-C4' energy: -145.077
flat angles C4'-P-C4' energy: -167.008
flat angles P-C4'-P energy: -103.705
tors. eta vs tors. theta energy: -226.250
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: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2323.498779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.498779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.138036 (E_RNA)
where:
Base-Base interactions energy: -1611.518
where: short stacking energy: -684.311
Base-Backbone interact. energy: -0.891
local terms energy: -712.728695
where:
bonds (distance) C4'-P energy: -132.594
bonds (distance) P-C4' energy: -133.060
flat angles C4'-P-C4' energy: -160.146
flat angles P-C4'-P energy: -106.561
tors. eta vs tors. theta energy: -180.368
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2258.884081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.884081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.490749 (E_RNA)
where:
Base-Base interactions energy: -1540.600
where: short stacking energy: -650.810
Base-Backbone interact. energy: -3.322
local terms energy: -717.568602
where:
bonds (distance) C4'-P energy: -148.444
bonds (distance) P-C4' energy: -132.338
flat angles C4'-P-C4' energy: -149.836
flat angles P-C4'-P energy: -102.491
tors. eta vs tors. theta energy: -184.459
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: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2073.365360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.365360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.338935 (E_RNA)
where:
Base-Base interactions energy: -1438.079
where: short stacking energy: -624.077
Base-Backbone interact. energy: 0.663
local terms energy: -638.922989
where:
bonds (distance) C4'-P energy: -111.573
bonds (distance) P-C4' energy: -131.557
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -84.190
tors. eta vs tors. theta energy: -166.037
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2012.464001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.464001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.921478 (E_RNA)
where:
Base-Base interactions energy: -1379.239
where: short stacking energy: -569.471
Base-Backbone interact. energy: 3.010
local terms energy: -638.691772
where:
bonds (distance) C4'-P energy: -110.315
bonds (distance) P-C4' energy: -150.336
flat angles C4'-P-C4' energy: -144.457
flat angles P-C4'-P energy: -87.768
tors. eta vs tors. theta energy: -145.815
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: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1939.838466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.838466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.231994 (E_RNA)
where:
Base-Base interactions energy: -1295.780
where: short stacking energy: -529.163
Base-Backbone interact. energy: 0.626
local terms energy: -650.078441
where:
bonds (distance) C4'-P energy: -127.322
bonds (distance) P-C4' energy: -129.304
flat angles C4'-P-C4' energy: -155.334
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -144.787
Dist. restrs. and SS energy: 5.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1918.204365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.204365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.943264 (E_RNA)
where:
Base-Base interactions energy: -1318.220
where: short stacking energy: -554.225
Base-Backbone interact. energy: 10.170
local terms energy: -614.893189
where:
bonds (distance) C4'-P energy: -109.113
bonds (distance) P-C4' energy: -127.316
flat angles C4'-P-C4' energy: -146.032
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -145.923
Dist. restrs. and SS energy: 4.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2868.533504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.533504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.974984 (E_RNA)
where:
Base-Base interactions energy: -2009.003
where: short stacking energy: -850.267
Base-Backbone interact. energy: -2.333
local terms energy: -860.638940
where:
bonds (distance) C4'-P energy: -141.288
bonds (distance) P-C4' energy: -160.010
flat angles C4'-P-C4' energy: -183.739
flat angles P-C4'-P energy: -135.014
tors. eta vs tors. theta energy: -240.587
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: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2813.318181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.318181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.590823 (E_RNA)
where:
Base-Base interactions energy: -1938.834
where: short stacking energy: -820.945
Base-Backbone interact. energy: -3.759
local terms energy: -872.998586
where:
bonds (distance) C4'-P energy: -162.858
bonds (distance) P-C4' energy: -157.330
flat angles C4'-P-C4' energy: -183.934
flat angles P-C4'-P energy: -120.771
tors. eta vs tors. theta energy: -248.105
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2709.913943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.913943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.718311 (E_RNA)
where:
Base-Base interactions energy: -1883.606
where: short stacking energy: -802.965
Base-Backbone interact. energy: -2.038
local terms energy: -826.073865
where:
bonds (distance) C4'-P energy: -145.949
bonds (distance) P-C4' energy: -152.114
flat angles C4'-P-C4' energy: -182.883
flat angles P-C4'-P energy: -115.479
tors. eta vs tors. theta energy: -229.649
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: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2630.210229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.210229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.772543 (E_RNA)
where:
Base-Base interactions energy: -1830.474
where: short stacking energy: -747.332
Base-Backbone interact. energy: -3.012
local terms energy: -798.286990
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -154.821
flat angles C4'-P-C4' energy: -173.624
flat angles P-C4'-P energy: -111.922
tors. eta vs tors. theta energy: -205.000
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: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2320.210131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.210131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.515908 (E_RNA)
where:
Base-Base interactions energy: -1583.905
where: short stacking energy: -674.316
Base-Backbone interact. energy: -2.609
local terms energy: -735.001708
where:
bonds (distance) C4'-P energy: -139.126
bonds (distance) P-C4' energy: -141.184
flat angles C4'-P-C4' energy: -171.722
flat angles P-C4'-P energy: -97.403
tors. eta vs tors. theta energy: -185.566
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: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2286.610276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.610276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.770427 (E_RNA)
where:
Base-Base interactions energy: -1558.427
where: short stacking energy: -681.334
Base-Backbone interact. energy: -3.325
local terms energy: -726.018920
where:
bonds (distance) C4'-P energy: -130.169
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -169.448
flat angles P-C4'-P energy: -108.904
tors. eta vs tors. theta energy: -179.283
Dist. restrs. and SS energy: 1.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2153.004576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.004576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.932781 (E_RNA)
where:
Base-Base interactions energy: -1440.957
where: short stacking energy: -626.498
Base-Backbone interact. energy: -1.008
local terms energy: -713.968512
where:
bonds (distance) C4'-P energy: -135.875
bonds (distance) P-C4' energy: -138.556
flat angles C4'-P-C4' energy: -160.414
flat angles P-C4'-P energy: -92.576
tors. eta vs tors. theta energy: -186.548
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: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2092.912931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.912931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.968369 (E_RNA)
where:
Base-Base interactions energy: -1401.292
where: short stacking energy: -618.041
Base-Backbone interact. energy: 0.824
local terms energy: -694.500298
where:
bonds (distance) C4'-P energy: -159.531
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -148.070
flat angles P-C4'-P energy: -92.308
tors. eta vs tors. theta energy: -172.225
Dist. restrs. and SS energy: 2.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1965.715660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.715660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.136619 (E_RNA)
where:
Base-Base interactions energy: -1336.517
where: short stacking energy: -561.468
Base-Backbone interact. energy: -1.930
local terms energy: -635.690109
where:
bonds (distance) C4'-P energy: -137.760
bonds (distance) P-C4' energy: -133.488
flat angles C4'-P-C4' energy: -125.955
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -153.564
Dist. restrs. and SS energy: 8.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1872.642390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.642390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.502963 (E_RNA)
where:
Base-Base interactions energy: -1268.377
where: short stacking energy: -528.035
Base-Backbone interact. energy: 1.551
local terms energy: -609.677644
where:
bonds (distance) C4'-P energy: -123.353
bonds (distance) P-C4' energy: -130.061
flat angles C4'-P-C4' energy: -144.939
flat angles P-C4'-P energy: -77.200
tors. eta vs tors. theta energy: -134.125
Dist. restrs. and SS energy: 3.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2901.716846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.716846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.143102 (E_RNA)
where:
Base-Base interactions energy: -1988.305
where: short stacking energy: -837.409
Base-Backbone interact. energy: 3.497
local terms energy: -920.335251
where:
bonds (distance) C4'-P energy: -170.527
bonds (distance) P-C4' energy: -167.173
flat angles C4'-P-C4' energy: -197.145
flat angles P-C4'-P energy: -128.364
tors. eta vs tors. theta energy: -257.125
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: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2804.247761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.247761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.973113 (E_RNA)
where:
Base-Base interactions energy: -1948.073
where: short stacking energy: -807.489
Base-Backbone interact. energy: -3.696
local terms energy: -854.203834
where:
bonds (distance) C4'-P energy: -150.702
bonds (distance) P-C4' energy: -172.499
flat angles C4'-P-C4' energy: -170.049
flat angles P-C4'-P energy: -119.484
tors. eta vs tors. theta energy: -241.470
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: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2735.907230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.907230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.494088 (E_RNA)
where:
Base-Base interactions energy: -1895.969
where: short stacking energy: -758.653
Base-Backbone interact. energy: -3.416
local terms energy: -837.109370
where:
bonds (distance) C4'-P energy: -156.198
bonds (distance) P-C4' energy: -164.200
flat angles C4'-P-C4' energy: -174.529
flat angles P-C4'-P energy: -121.562
tors. eta vs tors. theta energy: -220.621
Dist. restrs. and SS energy: 0.587 (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: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2609.246478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.246478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.777252 (E_RNA)
where:
Base-Base interactions energy: -1820.976
where: short stacking energy: -761.319
Base-Backbone interact. energy: -0.444
local terms energy: -789.357792
where:
bonds (distance) C4'-P energy: -148.813
bonds (distance) P-C4' energy: -144.217
flat angles C4'-P-C4' energy: -163.790
flat angles P-C4'-P energy: -122.821
tors. eta vs tors. theta energy: -209.716
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2276.274462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.274462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.651732 (E_RNA)
where:
Base-Base interactions energy: -1556.923
where: short stacking energy: -674.767
Base-Backbone interact. energy: -0.962
local terms energy: -720.766228
where:
bonds (distance) C4'-P energy: -131.178
bonds (distance) P-C4' energy: -146.983
flat angles C4'-P-C4' energy: -158.438
flat angles P-C4'-P energy: -105.383
tors. eta vs tors. theta energy: -178.784
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: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2219.580607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.580607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.098385 (E_RNA)
where:
Base-Base interactions energy: -1482.739
where: short stacking energy: -635.858
Base-Backbone interact. energy: -1.565
local terms energy: -737.794859
where:
bonds (distance) C4'-P energy: -150.071
bonds (distance) P-C4' energy: -146.625
flat angles C4'-P-C4' energy: -161.430
flat angles P-C4'-P energy: -105.199
tors. eta vs tors. theta energy: -174.470
Dist. restrs. and SS energy: 2.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2114.794733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.794733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.109578 (E_RNA)
where:
Base-Base interactions energy: -1427.449
where: short stacking energy: -609.633
Base-Backbone interact. energy: -2.448
local terms energy: -687.212277
where:
bonds (distance) C4'-P energy: -134.705
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -160.122
flat angles P-C4'-P energy: -98.123
tors. eta vs tors. theta energy: -164.710
Dist. restrs. and SS energy: 2.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2043.587418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.587418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.685195 (E_RNA)
where:
Base-Base interactions energy: -1408.254
where: short stacking energy: -601.008
Base-Backbone interact. energy: 0.086
local terms energy: -637.516591
where:
bonds (distance) C4'-P energy: -118.826
bonds (distance) P-C4' energy: -136.939
flat angles C4'-P-C4' energy: -136.397
flat angles P-C4'-P energy: -96.839
tors. eta vs tors. theta energy: -148.515
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1936.498175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.498175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.077001 (E_RNA)
where:
Base-Base interactions energy: -1332.426
where: short stacking energy: -604.208
Base-Backbone interact. energy: -2.042
local terms energy: -604.609447
where:
bonds (distance) C4'-P energy: -106.857
bonds (distance) P-C4' energy: -123.025
flat angles C4'-P-C4' energy: -131.942
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -160.786
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1859.728825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.728825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.447400 (E_RNA)
where:
Base-Base interactions energy: -1263.503
where: short stacking energy: -532.174
Base-Backbone interact. energy: -1.910
local terms energy: -597.034732
where:
bonds (distance) C4'-P energy: -121.040
bonds (distance) P-C4' energy: -119.601
flat angles C4'-P-C4' energy: -163.899
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -116.180
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2938.701170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.701170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.364594 (E_RNA)
where:
Base-Base interactions energy: -2047.026
where: short stacking energy: -839.200
Base-Backbone interact. energy: 0.801
local terms energy: -895.139667
where:
bonds (distance) C4'-P energy: -158.040
bonds (distance) P-C4' energy: -165.192
flat angles C4'-P-C4' energy: -193.260
flat angles P-C4'-P energy: -131.972
tors. eta vs tors. theta energy: -246.676
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2784.417173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.417173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.304964 (E_RNA)
where:
Base-Base interactions energy: -1923.767
where: short stacking energy: -811.555
Base-Backbone interact. energy: 0.320
local terms energy: -863.857787
where:
bonds (distance) C4'-P energy: -159.424
bonds (distance) P-C4' energy: -163.094
flat angles C4'-P-C4' energy: -179.699
flat angles P-C4'-P energy: -121.343
tors. eta vs tors. theta energy: -240.298
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: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2692.933300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.933300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.362238 (E_RNA)
where:
Base-Base interactions energy: -1879.071
where: short stacking energy: -786.247
Base-Backbone interact. energy: 0.238
local terms energy: -815.529077
where:
bonds (distance) C4'-P energy: -154.883
bonds (distance) P-C4' energy: -139.840
flat angles C4'-P-C4' energy: -179.499
flat angles P-C4'-P energy: -111.331
tors. eta vs tors. theta energy: -229.977
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: 375
Temperature: 1.050000
Total energy: -2600.456917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.456917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.686139 (E_RNA)
where:
Base-Base interactions energy: -1805.797
where: short stacking energy: -750.228
Base-Backbone interact. energy: -1.937
local terms energy: -793.952557
where:
bonds (distance) C4'-P energy: -145.055
bonds (distance) P-C4' energy: -145.970
flat angles C4'-P-C4' energy: -175.614
flat angles P-C4'-P energy: -118.121
tors. eta vs tors. theta energy: -209.191
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2273.471283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.471283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.584170 (E_RNA)
where:
Base-Base interactions energy: -1539.813
where: short stacking energy: -669.021
Base-Backbone interact. energy: -2.896
local terms energy: -731.874529
where:
bonds (distance) C4'-P energy: -128.923
bonds (distance) P-C4' energy: -152.766
flat angles C4'-P-C4' energy: -159.177
flat angles P-C4'-P energy: -117.257
tors. eta vs tors. theta energy: -173.751
Dist. restrs. and SS energy: 1.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2158.036656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.036656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.406868 (E_RNA)
where:
Base-Base interactions energy: -1449.661
where: short stacking energy: -635.018
Base-Backbone interact. energy: 1.186
local terms energy: -710.931951
where:
bonds (distance) C4'-P energy: -155.967
bonds (distance) P-C4' energy: -141.834
flat angles C4'-P-C4' energy: -148.039
flat angles P-C4'-P energy: -83.424
tors. eta vs tors. theta energy: -181.668
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2170.689367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.689367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.535199 (E_RNA)
where:
Base-Base interactions energy: -1455.828
where: short stacking energy: -609.884
Base-Backbone interact. energy: 2.927
local terms energy: -721.633753
where:
bonds (distance) C4'-P energy: -160.338
bonds (distance) P-C4' energy: -135.695
flat angles C4'-P-C4' energy: -158.850
flat angles P-C4'-P energy: -105.977
tors. eta vs tors. theta energy: -160.775
Dist. restrs. and SS energy: 3.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2063.119374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.119374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.828361 (E_RNA)
where:
Base-Base interactions energy: -1374.655
where: short stacking energy: -586.371
Base-Backbone interact. energy: 1.500
local terms energy: -692.673011
where:
bonds (distance) C4'-P energy: -139.501
bonds (distance) P-C4' energy: -153.638
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -84.829
tors. eta vs tors. theta energy: -163.127
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: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1950.132338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.132338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.256945 (E_RNA)
where:
Base-Base interactions energy: -1346.433
where: short stacking energy: -556.922
Base-Backbone interact. energy: 6.693
local terms energy: -614.517375
where:
bonds (distance) C4'-P energy: -108.647
bonds (distance) P-C4' energy: -116.808
flat angles C4'-P-C4' energy: -142.940
flat angles P-C4'-P energy: -103.280
tors. eta vs tors. theta energy: -142.843
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1844.802770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.802770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.811157 (E_RNA)
where:
Base-Base interactions energy: -1262.521
where: short stacking energy: -529.722
Base-Backbone interact. energy: -0.504
local terms energy: -584.786876
where:
bonds (distance) C4'-P energy: -104.391
bonds (distance) P-C4' energy: -128.645
flat angles C4'-P-C4' energy: -137.393
flat angles P-C4'-P energy: -92.520
tors. eta vs tors. theta energy: -121.838
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2909.791445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.791445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.317117 (E_RNA)
where:
Base-Base interactions energy: -2019.754
where: short stacking energy: -841.488
Base-Backbone interact. energy: 0.836
local terms energy: -892.399149
where:
bonds (distance) C4'-P energy: -166.774
bonds (distance) P-C4' energy: -166.010
flat angles C4'-P-C4' energy: -184.683
flat angles P-C4'-P energy: -126.055
tors. eta vs tors. theta energy: -248.877
Dist. restrs. and SS energy: 1.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2776.444889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.444889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.833164 (E_RNA)
where:
Base-Base interactions energy: -1918.731
where: short stacking energy: -821.262
Base-Backbone interact. energy: -1.343
local terms energy: -857.758608
where:
bonds (distance) C4'-P energy: -146.856
bonds (distance) P-C4' energy: -162.310
flat angles C4'-P-C4' energy: -186.941
flat angles P-C4'-P energy: -122.766
tors. eta vs tors. theta energy: -238.885
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2695.009441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.009441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.935574 (E_RNA)
where:
Base-Base interactions energy: -1883.838
where: short stacking energy: -793.260
Base-Backbone interact. energy: -4.462
local terms energy: -807.635066
where:
bonds (distance) C4'-P energy: -148.922
bonds (distance) P-C4' energy: -165.368
flat angles C4'-P-C4' energy: -174.677
flat angles P-C4'-P energy: -102.068
tors. eta vs tors. theta energy: -216.599
Dist. restrs. and SS energy: 0.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2575.797646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.797646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.499710 (E_RNA)
where:
Base-Base interactions energy: -1801.608
where: short stacking energy: -740.472
Base-Backbone interact. energy: 2.040
local terms energy: -778.931861
where:
bonds (distance) C4'-P energy: -147.417
bonds (distance) P-C4' energy: -141.581
flat angles C4'-P-C4' energy: -166.655
flat angles P-C4'-P energy: -104.791
tors. eta vs tors. theta energy: -218.488
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: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2252.133567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.133567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.513713 (E_RNA)
where:
Base-Base interactions energy: -1529.939
where: short stacking energy: -661.710
Base-Backbone interact. energy: 0.206
local terms energy: -723.781175
where:
bonds (distance) C4'-P energy: -147.515
bonds (distance) P-C4' energy: -144.410
flat angles C4'-P-C4' energy: -153.553
flat angles P-C4'-P energy: -101.477
tors. eta vs tors. theta energy: -176.826
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2263.039226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.039226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.028969 (E_RNA)
where:
Base-Base interactions energy: -1542.934
where: short stacking energy: -648.410
Base-Backbone interact. energy: 0.294
local terms energy: -722.388110
where:
bonds (distance) C4'-P energy: -109.730
bonds (distance) P-C4' energy: -153.379
flat angles C4'-P-C4' energy: -157.554
flat angles P-C4'-P energy: -112.691
tors. eta vs tors. theta energy: -189.035
Dist. restrs. and SS energy: 1.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2158.001644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.001644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.488522 (E_RNA)
where:
Base-Base interactions energy: -1499.651
where: short stacking energy: -657.932
Base-Backbone interact. energy: -3.012
local terms energy: -657.824845
where:
bonds (distance) C4'-P energy: -117.470
bonds (distance) P-C4' energy: -121.519
flat angles C4'-P-C4' energy: -148.729
flat angles P-C4'-P energy: -89.643
tors. eta vs tors. theta energy: -180.464
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: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2013.548235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.548235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.099832 (E_RNA)
where:
Base-Base interactions energy: -1337.717
where: short stacking energy: -556.600
Base-Backbone interact. energy: 1.824
local terms energy: -680.206996
where:
bonds (distance) C4'-P energy: -141.631
bonds (distance) P-C4' energy: -118.887
flat angles C4'-P-C4' energy: -162.702
flat angles P-C4'-P energy: -107.692
tors. eta vs tors. theta energy: -149.295
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1940.949151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.949151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.970174 (E_RNA)
where:
Base-Base interactions energy: -1320.550
where: short stacking energy: -585.869
Base-Backbone interact. energy: 1.276
local terms energy: -624.696928
where:
bonds (distance) C4'-P energy: -106.108
bonds (distance) P-C4' energy: -143.618
flat angles C4'-P-C4' energy: -134.906
flat angles P-C4'-P energy: -92.842
tors. eta vs tors. theta energy: -147.224
Dist. restrs. and SS energy: 3.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1807.532972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.351005 (E_RNA)
where:
Base-Base interactions energy: -1193.017
where: short stacking energy: -482.713
Base-Backbone interact. energy: -3.485
local terms energy: -617.848510
where:
bonds (distance) C4'-P energy: -138.151
bonds (distance) P-C4' energy: -142.947
flat angles C4'-P-C4' energy: -140.634
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -111.253
Dist. restrs. and SS energy: 6.818 (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: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2942.354396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.354396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.137563 (E_RNA)
where:
Base-Base interactions energy: -2033.027
where: short stacking energy: -845.556
Base-Backbone interact. energy: 0.729
local terms energy: -913.839957
where:
bonds (distance) C4'-P energy: -171.632
bonds (distance) P-C4' energy: -173.444
flat angles C4'-P-C4' energy: -188.395
flat angles P-C4'-P energy: -123.164
tors. eta vs tors. theta energy: -257.205
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2762.391363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.391363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.098489 (E_RNA)
where:
Base-Base interactions energy: -1899.886
where: short stacking energy: -816.082
Base-Backbone interact. energy: 2.223
local terms energy: -865.435664
where:
bonds (distance) C4'-P energy: -149.469
bonds (distance) P-C4' energy: -162.260
flat angles C4'-P-C4' energy: -190.936
flat angles P-C4'-P energy: -127.626
tors. eta vs tors. theta energy: -235.145
Dist. restrs. and SS energy: 0.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2714.797285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.797285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.272356 (E_RNA)
where:
Base-Base interactions energy: -1888.320
where: short stacking energy: -783.949
Base-Backbone interact. energy: -0.523
local terms energy: -828.429556
where:
bonds (distance) C4'-P energy: -149.740
bonds (distance) P-C4' energy: -164.808
flat angles C4'-P-C4' energy: -176.260
flat angles P-C4'-P energy: -110.631
tors. eta vs tors. theta energy: -226.991
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2652.632407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.632407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.402719 (E_RNA)
where:
Base-Base interactions energy: -1829.069
where: short stacking energy: -770.687
Base-Backbone interact. energy: -1.719
local terms energy: -824.615327
where:
bonds (distance) C4'-P energy: -151.936
bonds (distance) P-C4' energy: -166.452
flat angles C4'-P-C4' energy: -189.218
flat angles P-C4'-P energy: -104.063
tors. eta vs tors. theta energy: -212.946
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: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2266.525411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.525411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.641469 (E_RNA)
where:
Base-Base interactions energy: -1511.717
where: short stacking energy: -660.353
Base-Backbone interact. energy: -1.729
local terms energy: -755.195127
where:
bonds (distance) C4'-P energy: -168.800
bonds (distance) P-C4' energy: -155.581
flat angles C4'-P-C4' energy: -158.317
flat angles P-C4'-P energy: -81.822
tors. eta vs tors. theta energy: -190.676
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: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2269.857853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.857853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.183810 (E_RNA)
where:
Base-Base interactions energy: -1525.042
where: short stacking energy: -664.352
Base-Backbone interact. energy: -0.969
local terms energy: -747.173328
where:
bonds (distance) C4'-P energy: -148.219
bonds (distance) P-C4' energy: -153.405
flat angles C4'-P-C4' energy: -161.248
flat angles P-C4'-P energy: -93.975
tors. eta vs tors. theta energy: -190.326
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2107.647749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.647749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.849047 (E_RNA)
where:
Base-Base interactions energy: -1428.249
where: short stacking energy: -619.791
Base-Backbone interact. energy: -4.688
local terms energy: -680.911584
where:
bonds (distance) C4'-P energy: -122.895
bonds (distance) P-C4' energy: -122.975
flat angles C4'-P-C4' energy: -154.289
flat angles P-C4'-P energy: -108.151
tors. eta vs tors. theta energy: -172.601
Dist. restrs. and SS energy: 6.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2028.497112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.497112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.965928 (E_RNA)
where:
Base-Base interactions energy: -1369.923
where: short stacking energy: -577.248
Base-Backbone interact. energy: 0.130
local terms energy: -661.173403
where:
bonds (distance) C4'-P energy: -129.679
bonds (distance) P-C4' energy: -134.601
flat angles C4'-P-C4' energy: -146.128
flat angles P-C4'-P energy: -88.942
tors. eta vs tors. theta energy: -161.824
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: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1967.294445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.294445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.637750 (E_RNA)
where:
Base-Base interactions energy: -1357.183
where: short stacking energy: -572.235
Base-Backbone interact. energy: -0.498
local terms energy: -611.957336
where:
bonds (distance) C4'-P energy: -115.087
bonds (distance) P-C4' energy: -121.341
flat angles C4'-P-C4' energy: -144.406
flat angles P-C4'-P energy: -85.916
tors. eta vs tors. theta energy: -145.207
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: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1839.762336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.762336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.501572 (E_RNA)
where:
Base-Base interactions energy: -1210.243
where: short stacking energy: -493.844
Base-Backbone interact. energy: 4.247
local terms energy: -636.505624
where:
bonds (distance) C4'-P energy: -138.144
bonds (distance) P-C4' energy: -124.197
flat angles C4'-P-C4' energy: -152.507
flat angles P-C4'-P energy: -89.681
tors. eta vs tors. theta energy: -131.977
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2903.657664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.657664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.469527 (E_RNA)
where:
Base-Base interactions energy: -2029.741
where: short stacking energy: -847.038
Base-Backbone interact. energy: -1.577
local terms energy: -875.152246
where:
bonds (distance) C4'-P energy: -161.512
bonds (distance) P-C4' energy: -146.990
flat angles C4'-P-C4' energy: -185.250
flat angles P-C4'-P energy: -131.893
tors. eta vs tors. theta energy: -249.507
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2754.668675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.668675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.761439 (E_RNA)
where:
Base-Base interactions energy: -1891.468
where: short stacking energy: -782.273
Base-Backbone interact. energy: 2.457
local terms energy: -867.751099
where:
bonds (distance) C4'-P energy: -158.844
bonds (distance) P-C4' energy: -169.080
flat angles C4'-P-C4' energy: -178.471
flat angles P-C4'-P energy: -120.585
tors. eta vs tors. theta energy: -240.771
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2697.095766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.095766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.981946 (E_RNA)
where:
Base-Base interactions energy: -1908.316
where: short stacking energy: -779.983
Base-Backbone interact. energy: -0.477
local terms energy: -790.189249
where:
bonds (distance) C4'-P energy: -150.254
bonds (distance) P-C4' energy: -149.723
flat angles C4'-P-C4' energy: -171.971
flat angles P-C4'-P energy: -96.785
tors. eta vs tors. theta energy: -221.456
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: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2629.500553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.500553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.178196 (E_RNA)
where:
Base-Base interactions energy: -1842.028
where: short stacking energy: -758.118
Base-Backbone interact. energy: -0.457
local terms energy: -790.693439
where:
bonds (distance) C4'-P energy: -138.094
bonds (distance) P-C4' energy: -145.273
flat angles C4'-P-C4' energy: -175.104
flat angles P-C4'-P energy: -110.428
tors. eta vs tors. theta energy: -221.794
Dist. restrs. and SS energy: 3.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2362.498915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.498915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.790594 (E_RNA)
where:
Base-Base interactions energy: -1592.559
where: short stacking energy: -686.027
Base-Backbone interact. energy: -1.778
local terms energy: -770.453542
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -163.349
flat angles C4'-P-C4' energy: -164.995
flat angles P-C4'-P energy: -98.183
tors. eta vs tors. theta energy: -206.507
Dist. restrs. and SS energy: 2.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2211.187846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.187846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.588647 (E_RNA)
where:
Base-Base interactions energy: -1496.659
where: short stacking energy: -692.646
Base-Backbone interact. energy: 2.555
local terms energy: -718.484728
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -122.557
flat angles C4'-P-C4' energy: -162.389
flat angles P-C4'-P energy: -106.783
tors. eta vs tors. theta energy: -193.335
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: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2206.818784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.818784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.529572 (E_RNA)
where:
Base-Base interactions energy: -1499.994
where: short stacking energy: -638.308
Base-Backbone interact. energy: 3.380
local terms energy: -712.915816
where:
bonds (distance) C4'-P energy: -129.897
bonds (distance) P-C4' energy: -141.210
flat angles C4'-P-C4' energy: -161.797
flat angles P-C4'-P energy: -105.378
tors. eta vs tors. theta energy: -174.634
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1982.725821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.725821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.924607 (E_RNA)
where:
Base-Base interactions energy: -1354.311
where: short stacking energy: -586.778
Base-Backbone interact. energy: 0.018
local terms energy: -630.631365
where:
bonds (distance) C4'-P energy: -123.735
bonds (distance) P-C4' energy: -102.046
flat angles C4'-P-C4' energy: -146.569
flat angles P-C4'-P energy: -113.661
tors. eta vs tors. theta energy: -144.621
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: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1979.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.415295 (E_RNA)
where:
Base-Base interactions energy: -1315.111
where: short stacking energy: -582.233
Base-Backbone interact. energy: 1.592
local terms energy: -670.896602
where:
bonds (distance) C4'-P energy: -139.744
bonds (distance) P-C4' energy: -154.982
flat angles C4'-P-C4' energy: -147.576
flat angles P-C4'-P energy: -83.043
tors. eta vs tors. theta energy: -145.552
Dist. restrs. and SS energy: 4.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1863.290861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.290861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.607929 (E_RNA)
where:
Base-Base interactions energy: -1251.553
where: short stacking energy: -527.231
Base-Backbone interact. energy: 2.824
local terms energy: -622.878939
where:
bonds (distance) C4'-P energy: -124.283
bonds (distance) P-C4' energy: -144.457
flat angles C4'-P-C4' energy: -138.130
flat angles P-C4'-P energy: -86.961
tors. eta vs tors. theta energy: -129.048
Dist. restrs. and SS energy: 8.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2930.778660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.778660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.813869 (E_RNA)
where:
Base-Base interactions energy: -2059.003
where: short stacking energy: -839.487
Base-Backbone interact. energy: 1.378
local terms energy: -876.189057
where:
bonds (distance) C4'-P energy: -159.187
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -195.300
flat angles P-C4'-P energy: -119.434
tors. eta vs tors. theta energy: -255.574
Dist. restrs. and SS energy: 3.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2772.913338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.913338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.279478 (E_RNA)
where:
Base-Base interactions energy: -1909.547
where: short stacking energy: -804.159
Base-Backbone interact. energy: 2.926
local terms energy: -867.658862
where:
bonds (distance) C4'-P energy: -152.130
bonds (distance) P-C4' energy: -159.460
flat angles C4'-P-C4' energy: -187.374
flat angles P-C4'-P energy: -120.263
tors. eta vs tors. theta energy: -248.431
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2694.195074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.195074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.390573 (E_RNA)
where:
Base-Base interactions energy: -1874.948
where: short stacking energy: -798.302
Base-Backbone interact. energy: 5.500
local terms energy: -825.942589
where:
bonds (distance) C4'-P energy: -154.317
bonds (distance) P-C4' energy: -155.394
flat angles C4'-P-C4' energy: -186.537
flat angles P-C4'-P energy: -104.365
tors. eta vs tors. theta energy: -225.329
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: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2600.920541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.920541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.899579 (E_RNA)
where:
Base-Base interactions energy: -1820.167
where: short stacking energy: -755.428
Base-Backbone interact. energy: -1.140
local terms energy: -782.592367
where:
bonds (distance) C4'-P energy: -133.907
bonds (distance) P-C4' energy: -152.200
flat angles C4'-P-C4' energy: -175.226
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -224.390
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: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2343.911367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.911367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.896180 (E_RNA)
where:
Base-Base interactions energy: -1577.919
where: short stacking energy: -676.790
Base-Backbone interact. energy: 2.293
local terms energy: -770.269992
where:
bonds (distance) C4'-P energy: -155.042
bonds (distance) P-C4' energy: -140.147
flat angles C4'-P-C4' energy: -161.883
flat angles P-C4'-P energy: -116.782
tors. eta vs tors. theta energy: -196.415
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: 379
Temperature: 1.150000
Total energy: -2218.883947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.883947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.564839 (E_RNA)
where:
Base-Base interactions energy: -1498.850
where: short stacking energy: -638.746
Base-Backbone interact. energy: 1.855
local terms energy: -724.570246
where:
bonds (distance) C4'-P energy: -153.355
bonds (distance) P-C4' energy: -133.710
flat angles C4'-P-C4' energy: -178.565
flat angles P-C4'-P energy: -84.158
tors. eta vs tors. theta energy: -174.782
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2112.663599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.663599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.941814 (E_RNA)
where:
Base-Base interactions energy: -1421.450
where: short stacking energy: -635.212
Base-Backbone interact. energy: 1.888
local terms energy: -694.379669
where:
bonds (distance) C4'-P energy: -132.522
bonds (distance) P-C4' energy: -139.997
flat angles C4'-P-C4' energy: -152.205
flat angles P-C4'-P energy: -91.566
tors. eta vs tors. theta energy: -178.091
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: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2068.041727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.041727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.161643 (E_RNA)
where:
Base-Base interactions energy: -1387.013
where: short stacking energy: -620.963
Base-Backbone interact. energy: 0.137
local terms energy: -684.286175
where:
bonds (distance) C4'-P energy: -138.018
bonds (distance) P-C4' energy: -119.832
flat angles C4'-P-C4' energy: -150.494
flat angles P-C4'-P energy: -105.834
tors. eta vs tors. theta energy: -170.108
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1935.590303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.590303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.391041 (E_RNA)
where:
Base-Base interactions energy: -1327.819
where: short stacking energy: -544.623
Base-Backbone interact. energy: 0.078
local terms energy: -610.649421
where:
bonds (distance) C4'-P energy: -108.941
bonds (distance) P-C4' energy: -125.543
flat angles C4'-P-C4' energy: -138.845
flat angles P-C4'-P energy: -96.671
tors. eta vs tors. theta energy: -140.649
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: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1921.377858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.377858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.150039 (E_RNA)
where:
Base-Base interactions energy: -1302.626
where: short stacking energy: -550.785
Base-Backbone interact. energy: 3.609
local terms energy: -625.132870
where:
bonds (distance) C4'-P energy: -117.538
bonds (distance) P-C4' energy: -115.002
flat angles C4'-P-C4' energy: -156.893
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -153.160
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2935.747133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.747133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.831936 (E_RNA)
where:
Base-Base interactions energy: -2041.984
where: short stacking energy: -854.164
Base-Backbone interact. energy: -1.666
local terms energy: -894.181048
where:
bonds (distance) C4'-P energy: -151.553
bonds (distance) P-C4' energy: -165.230
flat angles C4'-P-C4' energy: -187.041
flat angles P-C4'-P energy: -127.890
tors. eta vs tors. theta energy: -262.466
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: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2778.936754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.936754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.727361 (E_RNA)
where:
Base-Base interactions energy: -1930.699
where: short stacking energy: -837.643
Base-Backbone interact. energy: -0.182
local terms energy: -849.846914
where:
bonds (distance) C4'-P energy: -156.384
bonds (distance) P-C4' energy: -157.989
flat angles C4'-P-C4' energy: -175.733
flat angles P-C4'-P energy: -119.022
tors. eta vs tors. theta energy: -240.720
Dist. restrs. and SS energy: 1.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2676.314312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.314312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.730838 (E_RNA)
where:
Base-Base interactions energy: -1864.861
where: short stacking energy: -755.967
Base-Backbone interact. energy: -1.203
local terms energy: -812.667210
where:
bonds (distance) C4'-P energy: -152.750
bonds (distance) P-C4' energy: -158.417
flat angles C4'-P-C4' energy: -173.943
flat angles P-C4'-P energy: -108.412
tors. eta vs tors. theta energy: -219.146
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2583.844087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.844087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.763223 (E_RNA)
where:
Base-Base interactions energy: -1782.247
where: short stacking energy: -747.606
Base-Backbone interact. energy: -7.176
local terms energy: -797.340732
where:
bonds (distance) C4'-P energy: -141.420
bonds (distance) P-C4' energy: -134.537
flat angles C4'-P-C4' energy: -184.142
flat angles P-C4'-P energy: -112.574
tors. eta vs tors. theta energy: -224.668
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2314.845159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.845159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.157838 (E_RNA)
where:
Base-Base interactions energy: -1608.666
where: short stacking energy: -710.553
Base-Backbone interact. energy: 3.689
local terms energy: -711.181530
where:
bonds (distance) C4'-P energy: -130.831
bonds (distance) P-C4' energy: -132.799
flat angles C4'-P-C4' energy: -151.442
flat angles P-C4'-P energy: -114.303
tors. eta vs tors. theta energy: -181.806
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: 6
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2205.103470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.103470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.280736 (E_RNA)
where:
Base-Base interactions energy: -1516.538
where: short stacking energy: -648.877
Base-Backbone interact. energy: 8.858
local terms energy: -698.600784
where:
bonds (distance) C4'-P energy: -126.156
bonds (distance) P-C4' energy: -130.949
flat angles C4'-P-C4' energy: -160.225
flat angles P-C4'-P energy: -106.765
tors. eta vs tors. theta energy: -174.506
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: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2130.596717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.596717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.652452 (E_RNA)
where:
Base-Base interactions energy: -1447.519
where: short stacking energy: -648.057
Base-Backbone interact. energy: 2.745
local terms energy: -687.877827
where:
bonds (distance) C4'-P energy: -105.647
bonds (distance) P-C4' energy: -136.535
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -103.971
tors. eta vs tors. theta energy: -183.715
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: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2048.391757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.391757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.392271 (E_RNA)
where:
Base-Base interactions energy: -1384.499
where: short stacking energy: -598.032
Base-Backbone interact. energy: 0.047
local terms energy: -665.940031
where:
bonds (distance) C4'-P energy: -121.920
bonds (distance) P-C4' energy: -106.132
flat angles C4'-P-C4' energy: -153.263
flat angles P-C4'-P energy: -103.935
tors. eta vs tors. theta energy: -180.689
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1978.150627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.150627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.899069 (E_RNA)
where:
Base-Base interactions energy: -1365.984
where: short stacking energy: -583.107
Base-Backbone interact. energy: 0.606
local terms energy: -614.520726
where:
bonds (distance) C4'-P energy: -118.405
bonds (distance) P-C4' energy: -126.034
flat angles C4'-P-C4' energy: -140.700
flat angles P-C4'-P energy: -90.818
tors. eta vs tors. theta energy: -138.564
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: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1890.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.694770 (E_RNA)
where:
Base-Base interactions energy: -1309.800
where: short stacking energy: -546.114
Base-Backbone interact. energy: 6.838
local terms energy: -591.733357
where:
bonds (distance) C4'-P energy: -133.423
bonds (distance) P-C4' energy: -117.893
flat angles C4'-P-C4' energy: -118.899
flat angles P-C4'-P energy: -89.219
tors. eta vs tors. theta energy: -132.299
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2901.433464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.433464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.536970 (E_RNA)
where:
Base-Base interactions energy: -2015.028
where: short stacking energy: -856.330
Base-Backbone interact. energy: 3.272
local terms energy: -891.780998
where:
bonds (distance) C4'-P energy: -164.474
bonds (distance) P-C4' energy: -159.602
flat angles C4'-P-C4' energy: -183.889
flat angles P-C4'-P energy: -138.058
tors. eta vs tors. theta energy: -245.758
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: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2756.761860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.761860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.274614 (E_RNA)
where:
Base-Base interactions energy: -1880.127
where: short stacking energy: -799.051
Base-Backbone interact. energy: -3.308
local terms energy: -874.839144
where:
bonds (distance) C4'-P energy: -161.658
bonds (distance) P-C4' energy: -157.126
flat angles C4'-P-C4' energy: -197.256
flat angles P-C4'-P energy: -112.502
tors. eta vs tors. theta energy: -246.297
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: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2700.884129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.884129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.981516 (E_RNA)
where:
Base-Base interactions energy: -1881.987
where: short stacking energy: -771.972
Base-Backbone interact. energy: -0.354
local terms energy: -819.641322
where:
bonds (distance) C4'-P energy: -160.357
bonds (distance) P-C4' energy: -146.348
flat angles C4'-P-C4' energy: -178.757
flat angles P-C4'-P energy: -105.618
tors. eta vs tors. theta energy: -228.562
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: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2580.308451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.308451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.416046 (E_RNA)
where:
Base-Base interactions energy: -1791.486
where: short stacking energy: -759.972
Base-Backbone interact. energy: 1.900
local terms energy: -792.830020
where:
bonds (distance) C4'-P energy: -145.211
bonds (distance) P-C4' energy: -154.923
flat angles C4'-P-C4' energy: -174.223
flat angles P-C4'-P energy: -102.583
tors. eta vs tors. theta energy: -215.891
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: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2339.233242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.233242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.539852 (E_RNA)
where:
Base-Base interactions energy: -1572.831
where: short stacking energy: -703.048
Base-Backbone interact. energy: 1.660
local terms energy: -770.368911
where:
bonds (distance) C4'-P energy: -145.700
bonds (distance) P-C4' energy: -142.334
flat angles C4'-P-C4' energy: -164.780
flat angles P-C4'-P energy: -111.116
tors. eta vs tors. theta energy: -206.439
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: 6
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2228.307682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.307682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.581835 (E_RNA)
where:
Base-Base interactions energy: -1526.938
where: short stacking energy: -629.489
Base-Backbone interact. energy: -1.961
local terms energy: -701.682788
where:
bonds (distance) C4'-P energy: -133.531
bonds (distance) P-C4' energy: -148.594
flat angles C4'-P-C4' energy: -157.657
flat angles P-C4'-P energy: -92.848
tors. eta vs tors. theta energy: -169.053
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2130.793289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.793289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.432125 (E_RNA)
where:
Base-Base interactions energy: -1450.190
where: short stacking energy: -610.491
Base-Backbone interact. energy: -0.130
local terms energy: -682.111779
where:
bonds (distance) C4'-P energy: -141.576
bonds (distance) P-C4' energy: -131.245
flat angles C4'-P-C4' energy: -146.232
flat angles P-C4'-P energy: -95.803
tors. eta vs tors. theta energy: -167.256
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2002.901519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.901519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.160780 (E_RNA)
where:
Base-Base interactions energy: -1354.927
where: short stacking energy: -586.080
Base-Backbone interact. energy: -2.254
local terms energy: -648.979315
where:
bonds (distance) C4'-P energy: -136.723
bonds (distance) P-C4' energy: -129.282
flat angles C4'-P-C4' energy: -143.265
flat angles P-C4'-P energy: -96.167
tors. eta vs tors. theta energy: -143.543
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: 381
Temperature: 1.300000
Total energy: -1987.439269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.439269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.546281 (E_RNA)
where:
Base-Base interactions energy: -1369.576
where: short stacking energy: -582.237
Base-Backbone interact. energy: -0.219
local terms energy: -620.751027
where:
bonds (distance) C4'-P energy: -120.918
bonds (distance) P-C4' energy: -121.236
flat angles C4'-P-C4' energy: -141.542
flat angles P-C4'-P energy: -83.067
tors. eta vs tors. theta energy: -153.988
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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1910.441870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.441870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.899030 (E_RNA)
where:
Base-Base interactions energy: -1318.404
where: short stacking energy: -555.423
Base-Backbone interact. energy: 2.132
local terms energy: -595.626556
where:
bonds (distance) C4'-P energy: -119.781
bonds (distance) P-C4' energy: -129.920
flat angles C4'-P-C4' energy: -123.171
flat angles P-C4'-P energy: -76.931
tors. eta vs tors. theta energy: -145.823
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: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2877.917024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.917024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.643936 (E_RNA)
where:
Base-Base interactions energy: -2004.203
where: short stacking energy: -833.795
Base-Backbone interact. energy: 0.285
local terms energy: -876.726035
where:
bonds (distance) C4'-P energy: -169.791
bonds (distance) P-C4' energy: -167.338
flat angles C4'-P-C4' energy: -176.789
flat angles P-C4'-P energy: -124.996
tors. eta vs tors. theta energy: -237.812
Dist. restrs. and SS energy: 2.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2769.268870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.268870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.275768 (E_RNA)
where:
Base-Base interactions energy: -1911.450
where: short stacking energy: -821.151
Base-Backbone interact. energy: -1.653
local terms energy: -857.172180
where:
bonds (distance) C4'-P energy: -150.699
bonds (distance) P-C4' energy: -155.842
flat angles C4'-P-C4' energy: -178.276
flat angles P-C4'-P energy: -124.020
tors. eta vs tors. theta energy: -248.336
Dist. restrs. and SS energy: 1.007 (S_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: 382
Temperature: 1.000000
Total energy: -2682.876589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.876589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.659460 (E_RNA)
where:
Base-Base interactions energy: -1837.649
where: short stacking energy: -774.951
Base-Backbone interact. energy: 0.738
local terms energy: -847.748312
where:
bonds (distance) C4'-P energy: -173.625
bonds (distance) P-C4' energy: -146.529
flat angles C4'-P-C4' energy: -174.304
flat angles P-C4'-P energy: -132.687
tors. eta vs tors. theta energy: -220.604
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2566.252090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.252090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.044517 (E_RNA)
where:
Base-Base interactions energy: -1801.069
where: short stacking energy: -726.591
Base-Backbone interact. energy: -2.900
local terms energy: -766.075402
where:
bonds (distance) C4'-P energy: -137.054
bonds (distance) P-C4' energy: -136.056
flat angles C4'-P-C4' energy: -166.172
flat angles P-C4'-P energy: -107.298
tors. eta vs tors. theta energy: -219.496
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: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2353.298695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.298695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.375121 (E_RNA)
where:
Base-Base interactions energy: -1593.206
where: short stacking energy: -683.792
Base-Backbone interact. energy: -1.036
local terms energy: -761.133450
where:
bonds (distance) C4'-P energy: -139.056
bonds (distance) P-C4' energy: -158.811
flat angles C4'-P-C4' energy: -164.027
flat angles P-C4'-P energy: -112.604
tors. eta vs tors. theta energy: -186.635
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: 382
Temperature: 1.150000
Total energy: -2236.741579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.741579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.445567 (E_RNA)
where:
Base-Base interactions energy: -1502.506
where: short stacking energy: -650.214
Base-Backbone interact. energy: 5.045
local terms energy: -740.984242
where:
bonds (distance) C4'-P energy: -157.602
bonds (distance) P-C4' energy: -146.699
flat angles C4'-P-C4' energy: -157.358
flat angles P-C4'-P energy: -91.730
tors. eta vs tors. theta energy: -187.596
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: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2103.699668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.699668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.207108 (E_RNA)
where:
Base-Base interactions energy: -1388.654
where: short stacking energy: -582.972
Base-Backbone interact. energy: -0.333
local terms energy: -716.219114
where:
bonds (distance) C4'-P energy: -139.066
bonds (distance) P-C4' energy: -160.964
flat angles C4'-P-C4' energy: -164.023
flat angles P-C4'-P energy: -96.911
tors. eta vs tors. theta energy: -155.255
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: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2002.196466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.196466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.536873 (E_RNA)
where:
Base-Base interactions energy: -1350.647
where: short stacking energy: -595.976
Base-Backbone interact. energy: -2.905
local terms energy: -651.985095
where:
bonds (distance) C4'-P energy: -117.179
bonds (distance) P-C4' energy: -131.829
flat angles C4'-P-C4' energy: -136.102
flat angles P-C4'-P energy: -105.956
tors. eta vs tors. theta energy: -160.919
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1972.861099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.861099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.048738 (E_RNA)
where:
Base-Base interactions energy: -1364.730
where: short stacking energy: -566.314
Base-Backbone interact. energy: -0.351
local terms energy: -609.967290
where:
bonds (distance) C4'-P energy: -109.052
bonds (distance) P-C4' energy: -136.754
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -84.763
tors. eta vs tors. theta energy: -139.608
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: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1879.107260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.107260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.012516 (E_RNA)
where:
Base-Base interactions energy: -1258.796
where: short stacking energy: -526.462
Base-Backbone interact. energy: -1.106
local terms energy: -622.111295
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -115.725
flat angles C4'-P-C4' energy: -130.516
flat angles P-C4'-P energy: -91.972
tors. eta vs tors. theta energy: -143.363
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: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2865.350134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.350134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.982702 (E_RNA)
where:
Base-Base interactions energy: -1980.433
where: short stacking energy: -847.794
Base-Backbone interact. energy: -1.820
local terms energy: -885.729042
where:
bonds (distance) C4'-P energy: -166.143
bonds (distance) P-C4' energy: -158.960
flat angles C4'-P-C4' energy: -182.288
flat angles P-C4'-P energy: -127.028
tors. eta vs tors. theta energy: -251.310
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: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2769.174564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.174564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.186295 (E_RNA)
where:
Base-Base interactions energy: -1910.589
where: short stacking energy: -811.531
Base-Backbone interact. energy: -0.616
local terms energy: -859.981307
where:
bonds (distance) C4'-P energy: -148.432
bonds (distance) P-C4' energy: -163.634
flat angles C4'-P-C4' energy: -182.986
flat angles P-C4'-P energy: -118.846
tors. eta vs tors. theta energy: -246.084
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2672.442746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.442746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.466210 (E_RNA)
where:
Base-Base interactions energy: -1826.984
where: short stacking energy: -758.781
Base-Backbone interact. energy: -2.369
local terms energy: -845.113363
where:
bonds (distance) C4'-P energy: -156.388
bonds (distance) P-C4' energy: -164.577
flat angles C4'-P-C4' energy: -186.016
flat angles P-C4'-P energy: -120.497
tors. eta vs tors. theta energy: -217.635
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: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2520.087349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.087349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.072822 (E_RNA)
where:
Base-Base interactions energy: -1764.765
where: short stacking energy: -718.836
Base-Backbone interact. energy: -3.757
local terms energy: -753.550176
where:
bonds (distance) C4'-P energy: -125.608
bonds (distance) P-C4' energy: -160.565
flat angles C4'-P-C4' energy: -168.068
flat angles P-C4'-P energy: -99.051
tors. eta vs tors. theta energy: -200.257
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: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2311.523773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.523773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.539704 (E_RNA)
where:
Base-Base interactions energy: -1568.239
where: short stacking energy: -661.863
Base-Backbone interact. energy: 3.127
local terms energy: -749.427881
where:
bonds (distance) C4'-P energy: -147.076
bonds (distance) P-C4' energy: -152.020
flat angles C4'-P-C4' energy: -172.454
flat angles P-C4'-P energy: -104.666
tors. eta vs tors. theta energy: -173.212
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: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2221.775265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.775265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.184457 (E_RNA)
where:
Base-Base interactions energy: -1501.964
where: short stacking energy: -661.270
Base-Backbone interact. energy: 8.771
local terms energy: -730.991103
where:
bonds (distance) C4'-P energy: -129.442
bonds (distance) P-C4' energy: -133.138
flat angles C4'-P-C4' energy: -172.657
flat angles P-C4'-P energy: -117.130
tors. eta vs tors. theta energy: -178.624
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: 383
Temperature: 1.200000
Total energy: -2076.776100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.776100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.065161 (E_RNA)
where:
Base-Base interactions energy: -1407.126
where: short stacking energy: -624.883
Base-Backbone interact. energy: 1.683
local terms energy: -674.621546
where:
bonds (distance) C4'-P energy: -149.454
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -132.416
flat angles P-C4'-P energy: -91.232
tors. eta vs tors. theta energy: -170.460
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: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2008.761259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.761259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.761786 (E_RNA)
where:
Base-Base interactions energy: -1356.738
where: short stacking energy: -599.675
Base-Backbone interact. energy: 13.485
local terms energy: -670.508688
where:
bonds (distance) C4'-P energy: -119.667
bonds (distance) P-C4' energy: -147.557
flat angles C4'-P-C4' energy: -141.496
flat angles P-C4'-P energy: -93.890
tors. eta vs tors. theta energy: -167.898
Dist. restrs. and SS energy: 5.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -2021.971667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.971667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.760904 (E_RNA)
where:
Base-Base interactions energy: -1372.602
where: short stacking energy: -600.157
Base-Backbone interact. energy: -0.553
local terms energy: -651.605992
where:
bonds (distance) C4'-P energy: -109.608
bonds (distance) P-C4' energy: -140.046
flat angles C4'-P-C4' energy: -155.239
flat angles P-C4'-P energy: -92.122
tors. eta vs tors. theta energy: -154.591
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1865.255400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.255400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.253846 (E_RNA)
where:
Base-Base interactions energy: -1272.934
where: short stacking energy: -526.580
Base-Backbone interact. energy: 4.128
local terms energy: -599.447298
where:
bonds (distance) C4'-P energy: -115.426
bonds (distance) P-C4' energy: -108.555
flat angles C4'-P-C4' energy: -153.574
flat angles P-C4'-P energy: -92.502
tors. eta vs tors. theta energy: -129.391
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: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2868.072071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.072071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.566906 (E_RNA)
where:
Base-Base interactions energy: -1983.795
where: short stacking energy: -838.381
Base-Backbone interact. energy: -2.265
local terms energy: -883.506989
where:
bonds (distance) C4'-P energy: -160.276
bonds (distance) P-C4' energy: -166.861
flat angles C4'-P-C4' energy: -191.573
flat angles P-C4'-P energy: -112.834
tors. eta vs tors. theta energy: -251.963
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: 384
Temperature: 0.950000
Total energy: -2785.050496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.050496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.899085 (E_RNA)
where:
Base-Base interactions energy: -1896.086
where: short stacking energy: -806.267
Base-Backbone interact. energy: -1.559
local terms energy: -888.253293
where:
bonds (distance) C4'-P energy: -149.538
bonds (distance) P-C4' energy: -167.422
flat angles C4'-P-C4' energy: -194.262
flat angles P-C4'-P energy: -128.828
tors. eta vs tors. theta energy: -248.203
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: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2669.190508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.190508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.724177 (E_RNA)
where:
Base-Base interactions energy: -1862.871
where: short stacking energy: -783.786
Base-Backbone interact. energy: -5.793
local terms energy: -803.060324
where:
bonds (distance) C4'-P energy: -142.939
bonds (distance) P-C4' energy: -159.153
flat angles C4'-P-C4' energy: -178.887
flat angles P-C4'-P energy: -110.950
tors. eta vs tors. theta energy: -211.131
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2555.310804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.310804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.144884 (E_RNA)
where:
Base-Base interactions energy: -1783.518
where: short stacking energy: -749.565
Base-Backbone interact. energy: -6.605
local terms energy: -769.022482
where:
bonds (distance) C4'-P energy: -149.124
bonds (distance) P-C4' energy: -123.185
flat angles C4'-P-C4' energy: -167.801
flat angles P-C4'-P energy: -118.528
tors. eta vs tors. theta energy: -210.385
Dist. restrs. and SS energy: 3.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2310.512547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.512547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.274980 (E_RNA)
where:
Base-Base interactions energy: -1582.696
where: short stacking energy: -655.215
Base-Backbone interact. energy: 1.793
local terms energy: -731.371866
where:
bonds (distance) C4'-P energy: -148.960
bonds (distance) P-C4' energy: -151.468
flat angles C4'-P-C4' energy: -167.734
flat angles P-C4'-P energy: -93.736
tors. eta vs tors. theta energy: -169.474
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: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2197.564459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.856404 (E_RNA)
where:
Base-Base interactions energy: -1494.853
where: short stacking energy: -614.032
Base-Backbone interact. energy: -0.222
local terms energy: -703.781956
where:
bonds (distance) C4'-P energy: -126.844
bonds (distance) P-C4' energy: -146.813
flat angles C4'-P-C4' energy: -156.696
flat angles P-C4'-P energy: -102.726
tors. eta vs tors. theta energy: -170.704
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: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2112.005232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.005232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.280966 (E_RNA)
where:
Base-Base interactions energy: -1418.492
where: short stacking energy: -626.200
Base-Backbone interact. energy: 0.552
local terms energy: -695.340805
where:
bonds (distance) C4'-P energy: -143.790
bonds (distance) P-C4' energy: -141.800
flat angles C4'-P-C4' energy: -155.460
flat angles P-C4'-P energy: -95.325
tors. eta vs tors. theta energy: -158.967
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1977.841350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.841350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.999454 (E_RNA)
where:
Base-Base interactions energy: -1318.500
where: short stacking energy: -551.563
Base-Backbone interact. energy: -3.243
local terms energy: -659.256338
where:
bonds (distance) C4'-P energy: -120.298
bonds (distance) P-C4' energy: -149.532
flat angles C4'-P-C4' energy: -157.685
flat angles P-C4'-P energy: -87.040
tors. eta vs tors. theta energy: -144.701
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1965.367754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.367754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.846118 (E_RNA)
where:
Base-Base interactions energy: -1323.530
where: short stacking energy: -550.462
Base-Backbone interact. energy: 1.636
local terms energy: -646.951326
where:
bonds (distance) C4'-P energy: -134.375
bonds (distance) P-C4' energy: -126.489
flat angles C4'-P-C4' energy: -147.975
flat angles P-C4'-P energy: -89.848
tors. eta vs tors. theta energy: -148.265
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: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1889.521489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.988220 (E_RNA)
where:
Base-Base interactions energy: -1323.421
where: short stacking energy: -547.365
Base-Backbone interact. energy: -1.265
local terms energy: -568.301918
where:
bonds (distance) C4'-P energy: -107.123
bonds (distance) P-C4' energy: -120.875
flat angles C4'-P-C4' energy: -143.497
flat angles P-C4'-P energy: -80.040
tors. eta vs tors. theta energy: -116.767
Dist. restrs. and SS energy: 3.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2916.316915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.916382 (E_RNA)
where:
Base-Base interactions energy: -2033.383
where: short stacking energy: -808.480
Base-Backbone interact. energy: -2.092
local terms energy: -882.442017
where:
bonds (distance) C4'-P energy: -165.284
bonds (distance) P-C4' energy: -168.655
flat angles C4'-P-C4' energy: -191.573
flat angles P-C4'-P energy: -123.232
tors. eta vs tors. theta energy: -233.699
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: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2739.287487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.287487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.912304 (E_RNA)
where:
Base-Base interactions energy: -1899.811
where: short stacking energy: -809.406
Base-Backbone interact. energy: -5.140
local terms energy: -835.961640
where:
bonds (distance) C4'-P energy: -140.643
bonds (distance) P-C4' energy: -153.557
flat angles C4'-P-C4' energy: -180.012
flat angles P-C4'-P energy: -116.746
tors. eta vs tors. theta energy: -245.003
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: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2610.415458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.415458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.608435 (E_RNA)
where:
Base-Base interactions energy: -1806.013
where: short stacking energy: -763.489
Base-Backbone interact. energy: -1.406
local terms energy: -805.189886
where:
bonds (distance) C4'-P energy: -160.790
bonds (distance) P-C4' energy: -140.363
flat angles C4'-P-C4' energy: -171.221
flat angles P-C4'-P energy: -115.665
tors. eta vs tors. theta energy: -217.151
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: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2618.893010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.893010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.836824 (E_RNA)
where:
Base-Base interactions energy: -1811.317
where: short stacking energy: -749.596
Base-Backbone interact. energy: -3.144
local terms energy: -807.376090
where:
bonds (distance) C4'-P energy: -144.353
bonds (distance) P-C4' energy: -151.058
flat angles C4'-P-C4' energy: -170.546
flat angles P-C4'-P energy: -118.286
tors. eta vs tors. theta energy: -223.132
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2362.364400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.364400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.135836 (E_RNA)
where:
Base-Base interactions energy: -1603.020
where: short stacking energy: -669.675
Base-Backbone interact. energy: 0.780
local terms energy: -762.895304
where:
bonds (distance) C4'-P energy: -139.869
bonds (distance) P-C4' energy: -144.544
flat angles C4'-P-C4' energy: -179.805
flat angles P-C4'-P energy: -93.989
tors. eta vs tors. theta energy: -204.688
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2160.937546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.937546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.736172 (E_RNA)
where:
Base-Base interactions energy: -1469.157
where: short stacking energy: -652.056
Base-Backbone interact. energy: 2.862
local terms energy: -698.441383
where:
bonds (distance) C4'-P energy: -135.621
bonds (distance) P-C4' energy: -146.252
flat angles C4'-P-C4' energy: -151.894
flat angles P-C4'-P energy: -105.927
tors. eta vs tors. theta energy: -158.747
Dist. restrs. and SS energy: 3.799 (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: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2103.474118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.474118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.912026 (E_RNA)
where:
Base-Base interactions energy: -1405.148
where: short stacking energy: -624.938
Base-Backbone interact. energy: 5.172
local terms energy: -705.935244
where:
bonds (distance) C4'-P energy: -150.755
bonds (distance) P-C4' energy: -127.009
flat angles C4'-P-C4' energy: -157.262
flat angles P-C4'-P energy: -101.278
tors. eta vs tors. theta energy: -169.631
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2004.070951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.070951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.351467 (E_RNA)
where:
Base-Base interactions energy: -1354.813
where: short stacking energy: -581.670
Base-Backbone interact. energy: -0.757
local terms energy: -650.780954
where:
bonds (distance) C4'-P energy: -122.802
bonds (distance) P-C4' energy: -132.380
flat angles C4'-P-C4' energy: -149.748
flat angles P-C4'-P energy: -90.898
tors. eta vs tors. theta energy: -154.953
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: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1926.627701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.627701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.531037 (E_RNA)
where:
Base-Base interactions energy: -1281.395
where: short stacking energy: -526.721
Base-Backbone interact. energy: 1.050
local terms energy: -648.185283
where:
bonds (distance) C4'-P energy: -129.422
bonds (distance) P-C4' energy: -144.616
flat angles C4'-P-C4' energy: -124.018
flat angles P-C4'-P energy: -107.514
tors. eta vs tors. theta energy: -142.616
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: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1897.292681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.292681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.572142 (E_RNA)
where:
Base-Base interactions energy: -1281.996
where: short stacking energy: -537.641
Base-Backbone interact. energy: -0.775
local terms energy: -617.801293
where:
bonds (distance) C4'-P energy: -118.356
bonds (distance) P-C4' energy: -137.821
flat angles C4'-P-C4' energy: -135.495
flat angles P-C4'-P energy: -89.702
tors. eta vs tors. theta energy: -136.428
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2932.384776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.384776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.561208 (E_RNA)
where:
Base-Base interactions energy: -2055.292
where: short stacking energy: -862.165
Base-Backbone interact. energy: -2.826
local terms energy: -876.442972
where:
bonds (distance) C4'-P energy: -159.540
bonds (distance) P-C4' energy: -167.442
flat angles C4'-P-C4' energy: -184.765
flat angles P-C4'-P energy: -122.202
tors. eta vs tors. theta energy: -242.494
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: 386
Temperature: 0.950000
Total energy: -2794.940217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.940217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.020528 (E_RNA)
where:
Base-Base interactions energy: -1929.278
where: short stacking energy: -809.442
Base-Backbone interact. energy: -0.827
local terms energy: -865.915671
where:
bonds (distance) C4'-P energy: -164.785
bonds (distance) P-C4' energy: -157.215
flat angles C4'-P-C4' energy: -182.594
flat angles P-C4'-P energy: -122.199
tors. eta vs tors. theta energy: -239.122
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: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2707.907703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.907703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.882670 (E_RNA)
where:
Base-Base interactions energy: -1854.507
where: short stacking energy: -793.792
Base-Backbone interact. energy: -0.096
local terms energy: -856.279243
where:
bonds (distance) C4'-P energy: -154.145
bonds (distance) P-C4' energy: -163.386
flat angles C4'-P-C4' energy: -190.200
flat angles P-C4'-P energy: -119.175
tors. eta vs tors. theta energy: -229.373
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: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2644.852645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.852645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.463409 (E_RNA)
where:
Base-Base interactions energy: -1830.250
where: short stacking energy: -767.999
Base-Backbone interact. energy: 6.702
local terms energy: -822.916147
where:
bonds (distance) C4'-P energy: -143.138
bonds (distance) P-C4' energy: -153.952
flat angles C4'-P-C4' energy: -179.950
flat angles P-C4'-P energy: -113.139
tors. eta vs tors. theta energy: -232.737
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: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2337.336202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.336202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.532392 (E_RNA)
where:
Base-Base interactions energy: -1610.771
where: short stacking energy: -686.136
Base-Backbone interact. energy: -2.213
local terms energy: -725.549117
where:
bonds (distance) C4'-P energy: -145.471
bonds (distance) P-C4' energy: -132.251
flat angles C4'-P-C4' energy: -159.909
flat angles P-C4'-P energy: -98.831
tors. eta vs tors. theta energy: -189.087
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: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2186.889821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.889821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.119258 (E_RNA)
where:
Base-Base interactions energy: -1482.733
where: short stacking energy: -638.522
Base-Backbone interact. energy: -3.791
local terms energy: -703.594375
where:
bonds (distance) C4'-P energy: -126.429
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -162.763
flat angles P-C4'-P energy: -102.958
tors. eta vs tors. theta energy: -170.562
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2032.529603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.529603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.155005 (E_RNA)
where:
Base-Base interactions energy: -1381.271
where: short stacking energy: -608.932
Base-Backbone interact. energy: 0.546
local terms energy: -654.430694
where:
bonds (distance) C4'-P energy: -130.370
bonds (distance) P-C4' energy: -149.742
flat angles C4'-P-C4' energy: -136.091
flat angles P-C4'-P energy: -87.279
tors. eta vs tors. theta energy: -150.948
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: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2028.443299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.443299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.264436 (E_RNA)
where:
Base-Base interactions energy: -1376.679
where: short stacking energy: -616.318
Base-Backbone interact. energy: 2.253
local terms energy: -656.838844
where:
bonds (distance) C4'-P energy: -118.854
bonds (distance) P-C4' energy: -139.011
flat angles C4'-P-C4' energy: -155.307
flat angles P-C4'-P energy: -80.854
tors. eta vs tors. theta energy: -162.813
Dist. restrs. and SS energy: 2.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1950.474183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.474183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.543222 (E_RNA)
where:
Base-Base interactions energy: -1345.022
where: short stacking energy: -543.283
Base-Backbone interact. energy: -1.044
local terms energy: -608.477322
where:
bonds (distance) C4'-P energy: -112.953
bonds (distance) P-C4' energy: -132.346
flat angles C4'-P-C4' energy: -138.507
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -141.022
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: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1895.885610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.885610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.798953 (E_RNA)
where:
Base-Base interactions energy: -1301.190
where: short stacking energy: -550.834
Base-Backbone interact. energy: 8.247
local terms energy: -610.855576
where:
bonds (distance) C4'-P energy: -112.713
bonds (distance) P-C4' energy: -135.490
flat angles C4'-P-C4' energy: -133.844
flat angles P-C4'-P energy: -90.663
tors. eta vs tors. theta energy: -138.146
Dist. restrs. and SS energy: 7.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2922.557659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.557659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.942615 (E_RNA)
where:
Base-Base interactions energy: -2017.962
where: short stacking energy: -838.989
Base-Backbone interact. energy: -1.964
local terms energy: -904.016245
where:
bonds (distance) C4'-P energy: -157.044
bonds (distance) P-C4' energy: -176.313
flat angles C4'-P-C4' energy: -195.069
flat angles P-C4'-P energy: -129.752
tors. eta vs tors. theta energy: -245.839
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2762.978710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.978710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.408641 (E_RNA)
where:
Base-Base interactions energy: -1922.798
where: short stacking energy: -808.392
Base-Backbone interact. energy: -2.790
local terms energy: -838.820386
where:
bonds (distance) C4'-P energy: -148.101
bonds (distance) P-C4' energy: -152.211
flat angles C4'-P-C4' energy: -176.145
flat angles P-C4'-P energy: -124.926
tors. eta vs tors. theta energy: -237.437
Dist. restrs. and SS energy: 1.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2672.128024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.128024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.123525 (E_RNA)
where:
Base-Base interactions energy: -1851.803
where: short stacking energy: -794.212
Base-Backbone interact. energy: -0.321
local terms energy: -822.000249
where:
bonds (distance) C4'-P energy: -147.169
bonds (distance) P-C4' energy: -163.649
flat angles C4'-P-C4' energy: -170.391
flat angles P-C4'-P energy: -113.976
tors. eta vs tors. theta energy: -226.816
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: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2650.656907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.656907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.926289 (E_RNA)
where:
Base-Base interactions energy: -1829.910
where: short stacking energy: -751.048
Base-Backbone interact. energy: 3.755
local terms energy: -826.771099
where:
bonds (distance) C4'-P energy: -151.507
bonds (distance) P-C4' energy: -163.072
flat angles C4'-P-C4' energy: -178.352
flat angles P-C4'-P energy: -110.431
tors. eta vs tors. theta energy: -223.408
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: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2351.638002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.638002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.860181 (E_RNA)
where:
Base-Base interactions energy: -1632.989
where: short stacking energy: -693.630
Base-Backbone interact. energy: -2.100
local terms energy: -717.770569
where:
bonds (distance) C4'-P energy: -141.993
bonds (distance) P-C4' energy: -133.401
flat angles C4'-P-C4' energy: -171.138
flat angles P-C4'-P energy: -83.351
tors. eta vs tors. theta energy: -187.887
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: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2184.204239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.204239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.141217 (E_RNA)
where:
Base-Base interactions energy: -1477.054
where: short stacking energy: -672.166
Base-Backbone interact. energy: -2.335
local terms energy: -707.752014
where:
bonds (distance) C4'-P energy: -121.153
bonds (distance) P-C4' energy: -133.099
flat angles C4'-P-C4' energy: -161.990
flat angles P-C4'-P energy: -114.159
tors. eta vs tors. theta energy: -177.352
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2090.788082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.788082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.815070 (E_RNA)
where:
Base-Base interactions energy: -1409.105
where: short stacking energy: -619.628
Base-Backbone interact. energy: 1.698
local terms energy: -686.408168
where:
bonds (distance) C4'-P energy: -116.709
bonds (distance) P-C4' energy: -148.035
flat angles C4'-P-C4' energy: -153.062
flat angles P-C4'-P energy: -109.933
tors. eta vs tors. theta energy: -158.669
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: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1999.050895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.050895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.516303 (E_RNA)
where:
Base-Base interactions energy: -1394.017
where: short stacking energy: -587.251
Base-Backbone interact. energy: -2.450
local terms energy: -606.049635
where:
bonds (distance) C4'-P energy: -114.972
bonds (distance) P-C4' energy: -106.167
flat angles C4'-P-C4' energy: -141.529
flat angles P-C4'-P energy: -92.758
tors. eta vs tors. theta energy: -150.623
Dist. restrs. and SS energy: 3.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1922.553389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.553389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.374856 (E_RNA)
where:
Base-Base interactions energy: -1278.942
where: short stacking energy: -504.261
Base-Backbone interact. energy: 4.466
local terms energy: -651.899221
where:
bonds (distance) C4'-P energy: -138.722
bonds (distance) P-C4' energy: -158.051
flat angles C4'-P-C4' energy: -143.319
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -128.269
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: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1838.003463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.003463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.733961 (E_RNA)
where:
Base-Base interactions energy: -1225.483
where: short stacking energy: -528.224
Base-Backbone interact. energy: 2.843
local terms energy: -626.093907
where:
bonds (distance) C4'-P energy: -133.734
bonds (distance) P-C4' energy: -135.068
flat angles C4'-P-C4' energy: -144.080
flat angles P-C4'-P energy: -81.115
tors. eta vs tors. theta energy: -132.096
Dist. restrs. and SS energy: 10.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2907.900372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.900372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.989309 (E_RNA)
where:
Base-Base interactions energy: -2016.243
where: short stacking energy: -827.253
Base-Backbone interact. energy: -1.621
local terms energy: -891.125125
where:
bonds (distance) C4'-P energy: -155.351
bonds (distance) P-C4' energy: -163.035
flat angles C4'-P-C4' energy: -184.219
flat angles P-C4'-P energy: -124.530
tors. eta vs tors. theta energy: -263.989
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2750.216161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.216161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.743254 (E_RNA)
where:
Base-Base interactions energy: -1880.063
where: short stacking energy: -784.214
Base-Backbone interact. energy: -2.446
local terms energy: -869.234701
where:
bonds (distance) C4'-P energy: -136.243
bonds (distance) P-C4' energy: -167.383
flat angles C4'-P-C4' energy: -180.707
flat angles P-C4'-P energy: -137.931
tors. eta vs tors. theta energy: -246.971
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: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2680.707854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.707854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.829527 (E_RNA)
where:
Base-Base interactions energy: -1844.242
where: short stacking energy: -760.019
Base-Backbone interact. energy: -0.799
local terms energy: -837.787821
where:
bonds (distance) C4'-P energy: -153.890
bonds (distance) P-C4' energy: -156.988
flat angles C4'-P-C4' energy: -175.393
flat angles P-C4'-P energy: -123.071
tors. eta vs tors. theta energy: -228.445
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2653.778310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.778310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.559052 (E_RNA)
where:
Base-Base interactions energy: -1842.509
where: short stacking energy: -758.137
Base-Backbone interact. energy: 2.577
local terms energy: -815.626876
where:
bonds (distance) C4'-P energy: -164.267
bonds (distance) P-C4' energy: -158.354
flat angles C4'-P-C4' energy: -161.764
flat angles P-C4'-P energy: -110.529
tors. eta vs tors. theta energy: -220.714
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: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2446.776368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.776368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.593387 (E_RNA)
where:
Base-Base interactions energy: -1668.040
where: short stacking energy: -725.309
Base-Backbone interact. energy: -2.959
local terms energy: -778.593822
where:
bonds (distance) C4'-P energy: -139.732
bonds (distance) P-C4' energy: -149.103
flat angles C4'-P-C4' energy: -172.683
flat angles P-C4'-P energy: -113.179
tors. eta vs tors. theta energy: -203.897
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: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2201.859750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.859750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.143090 (E_RNA)
where:
Base-Base interactions energy: -1470.636
where: short stacking energy: -624.028
Base-Backbone interact. energy: -3.313
local terms energy: -729.194176
where:
bonds (distance) C4'-P energy: -147.566
bonds (distance) P-C4' energy: -156.268
flat angles C4'-P-C4' energy: -159.556
flat angles P-C4'-P energy: -94.170
tors. eta vs tors. theta energy: -171.634
Dist. restrs. and SS energy: 1.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2105.464983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.464983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.692099 (E_RNA)
where:
Base-Base interactions energy: -1408.417
where: short stacking energy: -617.131
Base-Backbone interact. energy: 3.276
local terms energy: -703.550906
where:
bonds (distance) C4'-P energy: -151.985
bonds (distance) P-C4' energy: -129.810
flat angles C4'-P-C4' energy: -155.398
flat angles P-C4'-P energy: -108.208
tors. eta vs tors. theta energy: -158.150
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2035.602397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.602397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.376976 (E_RNA)
where:
Base-Base interactions energy: -1357.761
where: short stacking energy: -583.970
Base-Backbone interact. energy: -0.385
local terms energy: -679.230998
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -164.434
flat angles C4'-P-C4' energy: -154.326
flat angles P-C4'-P energy: -73.201
tors. eta vs tors. theta energy: -162.138
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: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1955.073349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.073349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.475974 (E_RNA)
where:
Base-Base interactions energy: -1328.885
where: short stacking energy: -567.970
Base-Backbone interact. energy: 4.128
local terms energy: -632.718813
where:
bonds (distance) C4'-P energy: -132.319
bonds (distance) P-C4' energy: -137.299
flat angles C4'-P-C4' energy: -131.230
flat angles P-C4'-P energy: -94.633
tors. eta vs tors. theta energy: -137.239
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1815.455797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.455797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.696981 (E_RNA)
where:
Base-Base interactions energy: -1243.313
where: short stacking energy: -512.176
Base-Backbone interact. energy: -2.577
local terms energy: -577.807278
where:
bonds (distance) C4'-P energy: -93.385
bonds (distance) P-C4' energy: -114.401
flat angles C4'-P-C4' energy: -134.185
flat angles P-C4'-P energy: -104.505
tors. eta vs tors. theta energy: -131.331
Dist. restrs. and SS energy: 8.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2892.520393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.520393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.852090 (E_RNA)
where:
Base-Base interactions energy: -2013.281
where: short stacking energy: -828.511
Base-Backbone interact. energy: -2.295
local terms energy: -878.275458
where:
bonds (distance) C4'-P energy: -165.924
bonds (distance) P-C4' energy: -158.914
flat angles C4'-P-C4' energy: -181.538
flat angles P-C4'-P energy: -125.575
tors. eta vs tors. theta energy: -246.325
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2755.485417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.485417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.656269 (E_RNA)
where:
Base-Base interactions energy: -1912.072
where: short stacking energy: -782.288
Base-Backbone interact. energy: 3.624
local terms energy: -848.209244
where:
bonds (distance) C4'-P energy: -157.281
bonds (distance) P-C4' energy: -147.972
flat angles C4'-P-C4' energy: -190.093
flat angles P-C4'-P energy: -120.402
tors. eta vs tors. theta energy: -232.462
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: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2669.893895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.893895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.589461 (E_RNA)
where:
Base-Base interactions energy: -1867.358
where: short stacking energy: -783.406
Base-Backbone interact. energy: 1.065
local terms energy: -805.296485
where:
bonds (distance) C4'-P energy: -162.143
bonds (distance) P-C4' energy: -126.929
flat angles C4'-P-C4' energy: -193.890
flat angles P-C4'-P energy: -107.155
tors. eta vs tors. theta energy: -215.180
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2650.232693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.232693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.909877 (E_RNA)
where:
Base-Base interactions energy: -1867.577
where: short stacking energy: -751.044
Base-Backbone interact. energy: -3.257
local terms energy: -781.075836
where:
bonds (distance) C4'-P energy: -162.409
bonds (distance) P-C4' energy: -143.011
flat angles C4'-P-C4' energy: -156.902
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -229.345
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: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2402.720297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.720297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.296987 (E_RNA)
where:
Base-Base interactions energy: -1631.375
where: short stacking energy: -697.063
Base-Backbone interact. energy: -0.836
local terms energy: -772.086543
where:
bonds (distance) C4'-P energy: -151.530
bonds (distance) P-C4' energy: -157.503
flat angles C4'-P-C4' energy: -158.682
flat angles P-C4'-P energy: -107.587
tors. eta vs tors. theta energy: -196.784
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2164.851198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.851198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.408887 (E_RNA)
where:
Base-Base interactions energy: -1454.501
where: short stacking energy: -611.105
Base-Backbone interact. energy: -2.052
local terms energy: -709.855579
where:
bonds (distance) C4'-P energy: -134.972
bonds (distance) P-C4' energy: -157.549
flat angles C4'-P-C4' energy: -143.751
flat angles P-C4'-P energy: -102.452
tors. eta vs tors. theta energy: -171.133
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2125.707259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.149143 (E_RNA)
where:
Base-Base interactions energy: -1445.717
where: short stacking energy: -630.975
Base-Backbone interact. energy: -4.159
local terms energy: -677.272781
where:
bonds (distance) C4'-P energy: -130.463
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -142.099
flat angles P-C4'-P energy: -99.327
tors. eta vs tors. theta energy: -177.263
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: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2032.807039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.807039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.110184 (E_RNA)
where:
Base-Base interactions energy: -1368.879
where: short stacking energy: -581.507
Base-Backbone interact. energy: -2.588
local terms energy: -663.643097
where:
bonds (distance) C4'-P energy: -121.944
bonds (distance) P-C4' energy: -145.883
flat angles C4'-P-C4' energy: -147.322
flat angles P-C4'-P energy: -99.166
tors. eta vs tors. theta energy: -149.328
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: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1989.595458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.595458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.947754 (E_RNA)
where:
Base-Base interactions energy: -1360.903
where: short stacking energy: -600.122
Base-Backbone interact. energy: 0.997
local terms energy: -633.042372
where:
bonds (distance) C4'-P energy: -121.901
bonds (distance) P-C4' energy: -122.099
flat angles C4'-P-C4' energy: -146.995
flat angles P-C4'-P energy: -76.036
tors. eta vs tors. theta energy: -166.013
Dist. restrs. and SS energy: 3.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1828.622297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.622297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.963096 (E_RNA)
where:
Base-Base interactions energy: -1220.478
where: short stacking energy: -508.618
Base-Backbone interact. energy: 2.890
local terms energy: -621.375745
where:
bonds (distance) C4'-P energy: -124.883
bonds (distance) P-C4' energy: -139.936
flat angles C4'-P-C4' energy: -134.708
flat angles P-C4'-P energy: -86.961
tors. eta vs tors. theta energy: -134.888
Dist. restrs. and SS energy: 10.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2918.188006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.188006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.966304 (E_RNA)
where:
Base-Base interactions energy: -2038.922
where: short stacking energy: -845.289
Base-Backbone interact. energy: -1.009
local terms energy: -880.035916
where:
bonds (distance) C4'-P energy: -156.473
bonds (distance) P-C4' energy: -154.375
flat angles C4'-P-C4' energy: -192.742
flat angles P-C4'-P energy: -124.991
tors. eta vs tors. theta energy: -251.455
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: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2780.942148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.942148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.889276 (E_RNA)
where:
Base-Base interactions energy: -1918.184
where: short stacking energy: -810.521
Base-Backbone interact. energy: 5.953
local terms energy: -869.657687
where:
bonds (distance) C4'-P energy: -156.461
bonds (distance) P-C4' energy: -173.755
flat angles C4'-P-C4' energy: -182.875
flat angles P-C4'-P energy: -121.108
tors. eta vs tors. theta energy: -235.458
Dist. restrs. and SS energy: 0.947 (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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2719.096763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.096763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.187209 (E_RNA)
where:
Base-Base interactions energy: -1908.576
where: short stacking energy: -796.133
Base-Backbone interact. energy: 0.546
local terms energy: -813.157233
where:
bonds (distance) C4'-P energy: -150.268
bonds (distance) P-C4' energy: -141.771
flat angles C4'-P-C4' energy: -182.382
flat angles P-C4'-P energy: -108.225
tors. eta vs tors. theta energy: -230.512
Dist. restrs. and SS energy: 2.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2605.014257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.014257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.123485 (E_RNA)
where:
Base-Base interactions energy: -1824.529
where: short stacking energy: -732.935
Base-Backbone interact. energy: 3.055
local terms energy: -785.649611
where:
bonds (distance) C4'-P energy: -140.962
bonds (distance) P-C4' energy: -131.478
flat angles C4'-P-C4' energy: -191.067
flat angles P-C4'-P energy: -119.684
tors. eta vs tors. theta energy: -202.459
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: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2371.644223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.644223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.780068 (E_RNA)
where:
Base-Base interactions energy: -1624.788
where: short stacking energy: -682.937
Base-Backbone interact. energy: -1.005
local terms energy: -747.986272
where:
bonds (distance) C4'-P energy: -147.149
bonds (distance) P-C4' energy: -140.296
flat angles C4'-P-C4' energy: -159.072
flat angles P-C4'-P energy: -106.085
tors. eta vs tors. theta energy: -195.385
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: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2160.078065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.078065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.739248 (E_RNA)
where:
Base-Base interactions energy: -1438.121
where: short stacking energy: -629.605
Base-Backbone interact. energy: -2.367
local terms energy: -722.250767
where:
bonds (distance) C4'-P energy: -153.936
bonds (distance) P-C4' energy: -149.186
flat angles C4'-P-C4' energy: -165.777
flat angles P-C4'-P energy: -80.215
tors. eta vs tors. theta energy: -173.137
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: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2128.422702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.422702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.474381 (E_RNA)
where:
Base-Base interactions energy: -1429.438
where: short stacking energy: -630.928
Base-Backbone interact. energy: -3.943
local terms energy: -697.093222
where:
bonds (distance) C4'-P energy: -137.783
bonds (distance) P-C4' energy: -134.740
flat angles C4'-P-C4' energy: -156.713
flat angles P-C4'-P energy: -89.078
tors. eta vs tors. theta energy: -178.779
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: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2057.027829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.027829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.511048 (E_RNA)
where:
Base-Base interactions energy: -1375.083
where: short stacking energy: -568.702
Base-Backbone interact. energy: -1.246
local terms energy: -682.181661
where:
bonds (distance) C4'-P energy: -127.134
bonds (distance) P-C4' energy: -145.435
flat angles C4'-P-C4' energy: -159.503
flat angles P-C4'-P energy: -105.889
tors. eta vs tors. theta energy: -144.221
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1940.395923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.395923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.706668 (E_RNA)
where:
Base-Base interactions energy: -1351.371
where: short stacking energy: -562.164
Base-Backbone interact. energy: 0.900
local terms energy: -593.236033
where:
bonds (distance) C4'-P energy: -111.405
bonds (distance) P-C4' energy: -139.300
flat angles C4'-P-C4' energy: -124.063
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -129.014
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: 390
Temperature: 1.350000
Total energy: -1860.931195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.931195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.135658 (E_RNA)
where:
Base-Base interactions energy: -1260.669
where: short stacking energy: -521.682
Base-Backbone interact. energy: -1.005
local terms energy: -602.461821
where:
bonds (distance) C4'-P energy: -116.907
bonds (distance) P-C4' energy: -135.221
flat angles C4'-P-C4' energy: -137.007
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -123.682
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2920.755288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.755288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.845355 (E_RNA)
where:
Base-Base interactions energy: -2036.854
where: short stacking energy: -848.770
Base-Backbone interact. energy: 4.811
local terms energy: -890.802260
where:
bonds (distance) C4'-P energy: -158.970
bonds (distance) P-C4' energy: -167.583
flat angles C4'-P-C4' energy: -191.904
flat angles P-C4'-P energy: -121.962
tors. eta vs tors. theta energy: -250.383
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: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2769.541235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.541235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.349131 (E_RNA)
where:
Base-Base interactions energy: -1901.857
where: short stacking energy: -796.159
Base-Backbone interact. energy: -2.416
local terms energy: -867.076389
where:
bonds (distance) C4'-P energy: -162.993
bonds (distance) P-C4' energy: -157.993
flat angles C4'-P-C4' energy: -187.475
flat angles P-C4'-P energy: -116.109
tors. eta vs tors. theta energy: -242.506
Dist. restrs. and SS energy: 1.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2727.464493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.464493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.360298 (E_RNA)
where:
Base-Base interactions energy: -1914.846
where: short stacking energy: -828.979
Base-Backbone interact. energy: -0.364
local terms energy: -815.150141
where:
bonds (distance) C4'-P energy: -128.656
bonds (distance) P-C4' energy: -152.857
flat angles C4'-P-C4' energy: -177.329
flat angles P-C4'-P energy: -116.441
tors. eta vs tors. theta energy: -239.867
Dist. restrs. and SS energy: 2.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2603.098504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.098504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.864291 (E_RNA)
where:
Base-Base interactions energy: -1813.270
where: short stacking energy: -735.662
Base-Backbone interact. energy: -3.957
local terms energy: -787.636615
where:
bonds (distance) C4'-P energy: -159.021
bonds (distance) P-C4' energy: -151.035
flat angles C4'-P-C4' energy: -168.268
flat angles P-C4'-P energy: -104.849
tors. eta vs tors. theta energy: -204.464
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2363.824891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.824891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.037929 (E_RNA)
where:
Base-Base interactions energy: -1616.853
where: short stacking energy: -673.496
Base-Backbone interact. energy: 4.401
local terms energy: -754.586064
where:
bonds (distance) C4'-P energy: -131.723
bonds (distance) P-C4' energy: -142.777
flat angles C4'-P-C4' energy: -173.696
flat angles P-C4'-P energy: -124.443
tors. eta vs tors. theta energy: -181.947
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2186.726017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.726017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.322796 (E_RNA)
where:
Base-Base interactions energy: -1511.190
where: short stacking energy: -645.141
Base-Backbone interact. energy: -1.765
local terms energy: -675.368086
where:
bonds (distance) C4'-P energy: -117.459
bonds (distance) P-C4' energy: -144.618
flat angles C4'-P-C4' energy: -147.125
flat angles P-C4'-P energy: -105.840
tors. eta vs tors. theta energy: -160.325
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: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2108.010094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.010094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.190600 (E_RNA)
where:
Base-Base interactions energy: -1408.894
where: short stacking energy: -595.357
Base-Backbone interact. energy: -1.482
local terms energy: -700.814098
where:
bonds (distance) C4'-P energy: -140.434
bonds (distance) P-C4' energy: -138.245
flat angles C4'-P-C4' energy: -161.664
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -147.524
Dist. restrs. and SS energy: 3.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1985.474428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.474428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.585254 (E_RNA)
where:
Base-Base interactions energy: -1344.287
where: short stacking energy: -569.961
Base-Backbone interact. energy: -2.144
local terms energy: -642.154569
where:
bonds (distance) C4'-P energy: -132.467
bonds (distance) P-C4' energy: -105.169
flat angles C4'-P-C4' energy: -154.102
flat angles P-C4'-P energy: -96.286
tors. eta vs tors. theta energy: -154.131
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: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1955.964584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.964584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.592982 (E_RNA)
where:
Base-Base interactions energy: -1313.932
where: short stacking energy: -534.155
Base-Backbone interact. energy: -0.018
local terms energy: -643.643282
where:
bonds (distance) C4'-P energy: -135.302
bonds (distance) P-C4' energy: -120.439
flat angles C4'-P-C4' energy: -150.428
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -135.524
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1856.466487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.466487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.347405 (E_RNA)
where:
Base-Base interactions energy: -1262.601
where: short stacking energy: -527.579
Base-Backbone interact. energy: 1.800
local terms energy: -599.546788
where:
bonds (distance) C4'-P energy: -140.392
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -150.921
flat angles P-C4'-P energy: -64.221
tors. eta vs tors. theta energy: -124.250
Dist. restrs. and SS energy: 3.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2892.052463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.052463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.656666 (E_RNA)
where:
Base-Base interactions energy: -2017.221
where: short stacking energy: -847.576
Base-Backbone interact. energy: 2.173
local terms energy: -878.608031
where:
bonds (distance) C4'-P energy: -165.106
bonds (distance) P-C4' energy: -159.025
flat angles C4'-P-C4' energy: -183.615
flat angles P-C4'-P energy: -122.309
tors. eta vs tors. theta energy: -248.553
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: 392
Temperature: 0.950000
Total energy: -2757.308723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.308723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.701583 (E_RNA)
where:
Base-Base interactions energy: -1902.809
where: short stacking energy: -781.209
Base-Backbone interact. energy: -3.484
local terms energy: -852.409033
where:
bonds (distance) C4'-P energy: -159.713
bonds (distance) P-C4' energy: -149.850
flat angles C4'-P-C4' energy: -177.688
flat angles P-C4'-P energy: -131.840
tors. eta vs tors. theta energy: -233.318
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2681.829642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.829642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.011569 (E_RNA)
where:
Base-Base interactions energy: -1830.759
where: short stacking energy: -782.279
Base-Backbone interact. energy: -2.155
local terms energy: -851.097977
where:
bonds (distance) C4'-P energy: -154.643
bonds (distance) P-C4' energy: -162.790
flat angles C4'-P-C4' energy: -177.490
flat angles P-C4'-P energy: -120.840
tors. eta vs tors. theta energy: -235.335
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: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2620.042120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.042120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.929237 (E_RNA)
where:
Base-Base interactions energy: -1827.609
where: short stacking energy: -756.025
Base-Backbone interact. energy: -0.029
local terms energy: -795.291158
where:
bonds (distance) C4'-P energy: -142.267
bonds (distance) P-C4' energy: -155.964
flat angles C4'-P-C4' energy: -167.407
flat angles P-C4'-P energy: -104.147
tors. eta vs tors. theta energy: -225.505
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2402.293646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.293646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.347828 (E_RNA)
where:
Base-Base interactions energy: -1643.327
where: short stacking energy: -702.503
Base-Backbone interact. energy: -1.211
local terms energy: -759.809340
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -145.289
flat angles C4'-P-C4' energy: -169.233
flat angles P-C4'-P energy: -100.770
tors. eta vs tors. theta energy: -208.321
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2210.185472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.185472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.022497 (E_RNA)
where:
Base-Base interactions energy: -1526.576
where: short stacking energy: -656.305
Base-Backbone interact. energy: -1.736
local terms energy: -683.710630
where:
bonds (distance) C4'-P energy: -112.056
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -158.869
flat angles P-C4'-P energy: -99.833
tors. eta vs tors. theta energy: -178.483
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: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2130.200326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.117508 (E_RNA)
where:
Base-Base interactions energy: -1438.783
where: short stacking energy: -612.592
Base-Backbone interact. energy: 1.590
local terms energy: -694.923960
where:
bonds (distance) C4'-P energy: -146.057
bonds (distance) P-C4' energy: -137.197
flat angles C4'-P-C4' energy: -159.008
flat angles P-C4'-P energy: -90.760
tors. eta vs tors. theta energy: -161.903
Dist. restrs. and SS energy: 1.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2051.752950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.752950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.511710 (E_RNA)
where:
Base-Base interactions energy: -1397.960
where: short stacking energy: -593.998
Base-Backbone interact. energy: 2.776
local terms energy: -659.328069
where:
bonds (distance) C4'-P energy: -116.468
bonds (distance) P-C4' energy: -155.148
flat angles C4'-P-C4' energy: -147.917
flat angles P-C4'-P energy: -91.427
tors. eta vs tors. theta energy: -148.368
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: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1950.570163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.570163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.546548 (E_RNA)
where:
Base-Base interactions energy: -1317.975
where: short stacking energy: -556.459
Base-Backbone interact. energy: -2.849
local terms energy: -632.722323
where:
bonds (distance) C4'-P energy: -100.282
bonds (distance) P-C4' energy: -132.240
flat angles C4'-P-C4' energy: -153.239
flat angles P-C4'-P energy: -85.494
tors. eta vs tors. theta energy: -161.468
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: 10, replica: 5
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1875.610825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.610825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.728121 (E_RNA)
where:
Base-Base interactions energy: -1288.365
where: short stacking energy: -521.102
Base-Backbone interact. energy: 2.055
local terms energy: -593.418087
where:
bonds (distance) C4'-P energy: -129.251
bonds (distance) P-C4' energy: -116.158
flat angles C4'-P-C4' energy: -135.791
flat angles P-C4'-P energy: -90.409
tors. eta vs tors. theta energy: -121.808
Dist. restrs. and SS energy: 4.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2910.077645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.077645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.722935 (E_RNA)
where:
Base-Base interactions energy: -2016.579
where: short stacking energy: -856.475
Base-Backbone interact. energy: -2.419
local terms energy: -892.724680
where:
bonds (distance) C4'-P energy: -162.769
bonds (distance) P-C4' energy: -165.125
flat angles C4'-P-C4' energy: -189.185
flat angles P-C4'-P energy: -125.518
tors. eta vs tors. theta energy: -250.128
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: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2758.788946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.788946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.164891 (E_RNA)
where:
Base-Base interactions energy: -1904.681
where: short stacking energy: -789.449
Base-Backbone interact. energy: 0.725
local terms energy: -857.208513
where:
bonds (distance) C4'-P energy: -170.523
bonds (distance) P-C4' energy: -146.242
flat angles C4'-P-C4' energy: -176.045
flat angles P-C4'-P energy: -127.991
tors. eta vs tors. theta energy: -236.407
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2682.742723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.742723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.275200 (E_RNA)
where:
Base-Base interactions energy: -1854.137
where: short stacking energy: -795.731
Base-Backbone interact. energy: -3.150
local terms energy: -826.988667
where:
bonds (distance) C4'-P energy: -136.222
bonds (distance) P-C4' energy: -145.881
flat angles C4'-P-C4' energy: -180.752
flat angles P-C4'-P energy: -125.189
tors. eta vs tors. theta energy: -238.944
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: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2621.224802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.224802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.313893 (E_RNA)
where:
Base-Base interactions energy: -1845.631
where: short stacking energy: -757.564
Base-Backbone interact. energy: 0.349
local terms energy: -779.032217
where:
bonds (distance) C4'-P energy: -146.752
bonds (distance) P-C4' energy: -140.825
flat angles C4'-P-C4' energy: -169.870
flat angles P-C4'-P energy: -106.791
tors. eta vs tors. theta energy: -214.794
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: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2396.984916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.984916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.560702 (E_RNA)
where:
Base-Base interactions energy: -1677.321
where: short stacking energy: -749.665
Base-Backbone interact. energy: -0.206
local terms energy: -722.033233
where:
bonds (distance) C4'-P energy: -138.324
bonds (distance) P-C4' energy: -123.671
flat angles C4'-P-C4' energy: -158.006
flat angles P-C4'-P energy: -92.659
tors. eta vs tors. theta energy: -209.373
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: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2202.336156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.336156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.117317 (E_RNA)
where:
Base-Base interactions energy: -1475.156
where: short stacking energy: -652.614
Base-Backbone interact. energy: 0.176
local terms energy: -729.137026
where:
bonds (distance) C4'-P energy: -133.029
bonds (distance) P-C4' energy: -146.266
flat angles C4'-P-C4' energy: -158.083
flat angles P-C4'-P energy: -114.708
tors. eta vs tors. theta energy: -177.051
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: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2082.995522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.995522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.304452 (E_RNA)
where:
Base-Base interactions energy: -1424.984
where: short stacking energy: -619.973
Base-Backbone interact. energy: -1.801
local terms energy: -657.519487
where:
bonds (distance) C4'-P energy: -130.764
bonds (distance) P-C4' energy: -135.947
flat angles C4'-P-C4' energy: -135.982
flat angles P-C4'-P energy: -89.764
tors. eta vs tors. theta energy: -165.062
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: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1999.571009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.571009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.581208 (E_RNA)
where:
Base-Base interactions energy: -1326.853
where: short stacking energy: -557.302
Base-Backbone interact. energy: -4.061
local terms energy: -670.667156
where:
bonds (distance) C4'-P energy: -116.520
bonds (distance) P-C4' energy: -157.450
flat angles C4'-P-C4' energy: -158.865
flat angles P-C4'-P energy: -96.500
tors. eta vs tors. theta energy: -141.333
Dist. restrs. and SS energy: 2.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1944.513607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.513607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.162760 (E_RNA)
where:
Base-Base interactions energy: -1336.975
where: short stacking energy: -572.081
Base-Backbone interact. energy: -1.847
local terms energy: -610.340296
where:
bonds (distance) C4'-P energy: -119.747
bonds (distance) P-C4' energy: -116.811
flat angles C4'-P-C4' energy: -144.595
flat angles P-C4'-P energy: -86.364
tors. eta vs tors. theta energy: -142.824
Dist. restrs. and SS energy: 4.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1853.220096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.220096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.595930 (E_RNA)
where:
Base-Base interactions energy: -1249.739
where: short stacking energy: -514.001
Base-Backbone interact. energy: -0.856
local terms energy: -609.001087
where:
bonds (distance) C4'-P energy: -119.161
bonds (distance) P-C4' energy: -144.491
flat angles C4'-P-C4' energy: -143.485
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: -117.344
Dist. restrs. and SS energy: 6.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2899.162581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.162581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.461631 (E_RNA)
where:
Base-Base interactions energy: -2013.838
where: short stacking energy: -822.276
Base-Backbone interact. energy: -2.819
local terms energy: -883.804557
where:
bonds (distance) C4'-P energy: -168.987
bonds (distance) P-C4' energy: -164.782
flat angles C4'-P-C4' energy: -178.486
flat angles P-C4'-P energy: -129.972
tors. eta vs tors. theta energy: -241.577
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: 9
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2768.609750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.609750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.636925 (E_RNA)
where:
Base-Base interactions energy: -1903.030
where: short stacking energy: -802.428
Base-Backbone interact. energy: 0.059
local terms energy: -867.665183
where:
bonds (distance) C4'-P energy: -157.167
bonds (distance) P-C4' energy: -167.415
flat angles C4'-P-C4' energy: -178.057
flat angles P-C4'-P energy: -128.773
tors. eta vs tors. theta energy: -236.253
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2659.242463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.242463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.459434 (E_RNA)
where:
Base-Base interactions energy: -1831.283
where: short stacking energy: -777.593
Base-Backbone interact. energy: -2.266
local terms energy: -826.910529
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -141.957
flat angles C4'-P-C4' energy: -188.341
flat angles P-C4'-P energy: -132.723
tors. eta vs tors. theta energy: -231.174
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2545.542644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.542644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.632637 (E_RNA)
where:
Base-Base interactions energy: -1755.629
where: short stacking energy: -711.267
Base-Backbone interact. energy: -4.043
local terms energy: -787.960637
where:
bonds (distance) C4'-P energy: -148.247
bonds (distance) P-C4' energy: -144.514
flat angles C4'-P-C4' energy: -183.177
flat angles P-C4'-P energy: -105.243
tors. eta vs tors. theta energy: -206.780
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2392.106846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.106846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.135102 (E_RNA)
where:
Base-Base interactions energy: -1649.016
where: short stacking energy: -728.237
Base-Backbone interact. energy: -1.036
local terms energy: -744.082882
where:
bonds (distance) C4'-P energy: -139.233
bonds (distance) P-C4' energy: -144.708
flat angles C4'-P-C4' energy: -165.308
flat angles P-C4'-P energy: -96.713
tors. eta vs tors. theta energy: -198.121
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2230.799633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.799633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.471325 (E_RNA)
where:
Base-Base interactions energy: -1501.550
where: short stacking energy: -657.446
Base-Backbone interact. energy: -2.920
local terms energy: -728.001128
where:
bonds (distance) C4'-P energy: -146.521
bonds (distance) P-C4' energy: -149.460
flat angles C4'-P-C4' energy: -156.903
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -186.306
Dist. restrs. and SS energy: 1.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2091.341050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.341050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.920280 (E_RNA)
where:
Base-Base interactions energy: -1436.926
where: short stacking energy: -615.671
Base-Backbone interact. energy: -1.340
local terms energy: -655.654048
where:
bonds (distance) C4'-P energy: -132.653
bonds (distance) P-C4' energy: -137.496
flat angles C4'-P-C4' energy: -148.845
flat angles P-C4'-P energy: -75.257
tors. eta vs tors. theta energy: -161.402
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: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2032.807182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.807182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.857640 (E_RNA)
where:
Base-Base interactions energy: -1346.071
where: short stacking energy: -569.562
Base-Backbone interact. energy: 1.710
local terms energy: -690.496265
where:
bonds (distance) C4'-P energy: -152.865
bonds (distance) P-C4' energy: -148.453
flat angles C4'-P-C4' energy: -139.568
flat angles P-C4'-P energy: -91.551
tors. eta vs tors. theta energy: -158.058
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: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1962.122816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.122816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.242712 (E_RNA)
where:
Base-Base interactions energy: -1333.010
where: short stacking energy: -558.411
Base-Backbone interact. energy: 0.136
local terms energy: -631.368686
where:
bonds (distance) C4'-P energy: -131.855
bonds (distance) P-C4' energy: -138.965
flat angles C4'-P-C4' energy: -123.626
flat angles P-C4'-P energy: -88.096
tors. eta vs tors. theta energy: -148.827
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: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1843.869586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.869586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.696649 (E_RNA)
where:
Base-Base interactions energy: -1239.386
where: short stacking energy: -529.405
Base-Backbone interact. energy: -1.883
local terms energy: -613.427341
where:
bonds (distance) C4'-P energy: -138.944
bonds (distance) P-C4' energy: -112.921
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -89.217
tors. eta vs tors. theta energy: -131.505
Dist. restrs. and SS energy: 10.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2880.599614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.599614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.630663 (E_RNA)
where:
Base-Base interactions energy: -2012.871
where: short stacking energy: -812.441
Base-Backbone interact. energy: -3.245
local terms energy: -865.514792
where:
bonds (distance) C4'-P energy: -151.436
bonds (distance) P-C4' energy: -167.358
flat angles C4'-P-C4' energy: -178.471
flat angles P-C4'-P energy: -121.210
tors. eta vs tors. theta energy: -247.040
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2789.879571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.879571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.395095 (E_RNA)
where:
Base-Base interactions energy: -1957.876
where: short stacking energy: -809.459
Base-Backbone interact. energy: -0.283
local terms energy: -833.236150
where:
bonds (distance) C4'-P energy: -161.947
bonds (distance) P-C4' energy: -146.778
flat angles C4'-P-C4' energy: -180.500
flat angles P-C4'-P energy: -117.762
tors. eta vs tors. theta energy: -226.249
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: 395
Temperature: 1.000000
Total energy: -2686.057212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.057212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.787459 (E_RNA)
where:
Base-Base interactions energy: -1850.492
where: short stacking energy: -758.646
Base-Backbone interact. energy: -1.429
local terms energy: -835.867156
where:
bonds (distance) C4'-P energy: -137.544
bonds (distance) P-C4' energy: -161.981
flat angles C4'-P-C4' energy: -176.687
flat angles P-C4'-P energy: -117.349
tors. eta vs tors. theta energy: -242.306
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: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2592.983595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.983595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.443724 (E_RNA)
where:
Base-Base interactions energy: -1804.076
where: short stacking energy: -754.185
Base-Backbone interact. energy: -5.472
local terms energy: -784.894928
where:
bonds (distance) C4'-P energy: -144.902
bonds (distance) P-C4' energy: -140.588
flat angles C4'-P-C4' energy: -166.794
flat angles P-C4'-P energy: -121.677
tors. eta vs tors. theta energy: -210.933
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2392.924208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.924208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.484712 (E_RNA)
where:
Base-Base interactions energy: -1637.223
where: short stacking energy: -700.375
Base-Backbone interact. energy: -1.246
local terms energy: -756.015855
where:
bonds (distance) C4'-P energy: -146.409
bonds (distance) P-C4' energy: -156.930
flat angles C4'-P-C4' energy: -162.298
flat angles P-C4'-P energy: -101.118
tors. eta vs tors. theta energy: -189.260
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: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2196.162071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.162071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.522169 (E_RNA)
where:
Base-Base interactions energy: -1500.969
where: short stacking energy: -637.469
Base-Backbone interact. energy: 1.027
local terms energy: -698.579345
where:
bonds (distance) C4'-P energy: -141.760
bonds (distance) P-C4' energy: -127.345
flat angles C4'-P-C4' energy: -153.619
flat angles P-C4'-P energy: -98.854
tors. eta vs tors. theta energy: -177.002
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: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2087.465013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.465013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.525321 (E_RNA)
where:
Base-Base interactions energy: -1420.650
where: short stacking energy: -616.880
Base-Backbone interact. energy: 2.405
local terms energy: -672.281131
where:
bonds (distance) C4'-P energy: -118.606
bonds (distance) P-C4' energy: -125.426
flat angles C4'-P-C4' energy: -166.240
flat angles P-C4'-P energy: -94.931
tors. eta vs tors. theta energy: -167.080
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2026.043356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.043356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.474919 (E_RNA)
where:
Base-Base interactions energy: -1401.867
where: short stacking energy: -610.231
Base-Backbone interact. energy: 1.123
local terms energy: -627.730918
where:
bonds (distance) C4'-P energy: -119.317
bonds (distance) P-C4' energy: -136.786
flat angles C4'-P-C4' energy: -148.081
flat angles P-C4'-P energy: -73.269
tors. eta vs tors. theta energy: -150.277
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: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1913.079869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.079869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.603578 (E_RNA)
where:
Base-Base interactions energy: -1311.320
where: short stacking energy: -542.583
Base-Backbone interact. energy: -2.128
local terms energy: -602.155670
where:
bonds (distance) C4'-P energy: -113.647
bonds (distance) P-C4' energy: -145.836
flat angles C4'-P-C4' energy: -143.878
flat angles P-C4'-P energy: -65.622
tors. eta vs tors. theta energy: -133.172
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1838.576718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.576718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.008779 (E_RNA)
where:
Base-Base interactions energy: -1268.653
where: short stacking energy: -522.321
Base-Backbone interact. energy: 5.567
local terms energy: -578.922744
where:
bonds (distance) C4'-P energy: -119.297
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -136.193
flat angles P-C4'-P energy: -76.475
tors. eta vs tors. theta energy: -141.101
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2905.299742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.299742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.705712 (E_RNA)
where:
Base-Base interactions energy: -2027.300
where: short stacking energy: -839.892
Base-Backbone interact. energy: -2.550
local terms energy: -876.855705
where:
bonds (distance) C4'-P energy: -165.473
bonds (distance) P-C4' energy: -169.347
flat angles C4'-P-C4' energy: -182.905
flat angles P-C4'-P energy: -119.455
tors. eta vs tors. theta energy: -239.675
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: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2767.230275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.230275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.470385 (E_RNA)
where:
Base-Base interactions energy: -1913.204
where: short stacking energy: -788.380
Base-Backbone interact. energy: -1.395
local terms energy: -853.871417
where:
bonds (distance) C4'-P energy: -153.297
bonds (distance) P-C4' energy: -167.245
flat angles C4'-P-C4' energy: -191.354
flat angles P-C4'-P energy: -118.240
tors. eta vs tors. theta energy: -223.736
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: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2661.648247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.648247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.895993 (E_RNA)
where:
Base-Base interactions energy: -1831.807
where: short stacking energy: -758.251
Base-Backbone interact. energy: -3.020
local terms energy: -828.069568
where:
bonds (distance) C4'-P energy: -156.403
bonds (distance) P-C4' energy: -162.637
flat angles C4'-P-C4' energy: -170.260
flat angles P-C4'-P energy: -121.005
tors. eta vs tors. theta energy: -217.764
Dist. restrs. and SS energy: 1.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2595.012042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.012042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.896708 (E_RNA)
where:
Base-Base interactions energy: -1810.101
where: short stacking energy: -732.402
Base-Backbone interact. energy: -3.066
local terms energy: -784.729710
where:
bonds (distance) C4'-P energy: -145.155
bonds (distance) P-C4' energy: -148.519
flat angles C4'-P-C4' energy: -167.756
flat angles P-C4'-P energy: -101.716
tors. eta vs tors. theta energy: -221.584
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: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2380.280512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.280512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.850125 (E_RNA)
where:
Base-Base interactions energy: -1629.715
where: short stacking energy: -688.172
Base-Backbone interact. energy: 0.418
local terms energy: -753.553009
where:
bonds (distance) C4'-P energy: -148.001
bonds (distance) P-C4' energy: -148.116
flat angles C4'-P-C4' energy: -153.643
flat angles P-C4'-P energy: -103.641
tors. eta vs tors. theta energy: -200.152
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: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2190.101086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.101086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.287468 (E_RNA)
where:
Base-Base interactions energy: -1469.164
where: short stacking energy: -660.155
Base-Backbone interact. energy: -0.869
local terms energy: -723.254425
where:
bonds (distance) C4'-P energy: -137.648
bonds (distance) P-C4' energy: -137.523
flat angles C4'-P-C4' energy: -167.518
flat angles P-C4'-P energy: -100.909
tors. eta vs tors. theta energy: -179.657
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: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2087.781292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.781292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.511982 (E_RNA)
where:
Base-Base interactions energy: -1425.705
where: short stacking energy: -618.061
Base-Backbone interact. energy: 4.623
local terms energy: -668.430273
where:
bonds (distance) C4'-P energy: -126.202
bonds (distance) P-C4' energy: -134.911
flat angles C4'-P-C4' energy: -158.432
flat angles P-C4'-P energy: -99.001
tors. eta vs tors. theta energy: -149.884
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: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2000.211403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.211403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.102009 (E_RNA)
where:
Base-Base interactions energy: -1349.329
where: short stacking energy: -556.107
Base-Backbone interact. energy: -2.451
local terms energy: -650.321741
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -148.432
flat angles C4'-P-C4' energy: -154.430
flat angles P-C4'-P energy: -102.654
tors. eta vs tors. theta energy: -130.649
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: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1902.090040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.090040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.895054 (E_RNA)
where:
Base-Base interactions energy: -1299.885
where: short stacking energy: -536.198
Base-Backbone interact. energy: 2.163
local terms energy: -607.173787
where:
bonds (distance) C4'-P energy: -98.002
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -146.162
flat angles P-C4'-P energy: -90.977
tors. eta vs tors. theta energy: -147.110
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1864.529676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.529676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.033805 (E_RNA)
where:
Base-Base interactions energy: -1288.316
where: short stacking energy: -542.890
Base-Backbone interact. energy: 7.768
local terms energy: -588.485012
where:
bonds (distance) C4'-P energy: -138.748
bonds (distance) P-C4' energy: -120.925
flat angles C4'-P-C4' energy: -134.473
flat angles P-C4'-P energy: -78.912
tors. eta vs tors. theta energy: -115.427
Dist. restrs. and SS energy: 4.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2926.354909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.354909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.701301 (E_RNA)
where:
Base-Base interactions energy: -2040.251
where: short stacking energy: -836.760
Base-Backbone interact. energy: 3.319
local terms energy: -890.768780
where:
bonds (distance) C4'-P energy: -169.587
bonds (distance) P-C4' energy: -161.127
flat angles C4'-P-C4' energy: -181.689
flat angles P-C4'-P energy: -132.657
tors. eta vs tors. theta energy: -245.709
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2781.579317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.579317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.306647 (E_RNA)
where:
Base-Base interactions energy: -1928.435
where: short stacking energy: -802.928
Base-Backbone interact. energy: -2.568
local terms energy: -852.303933
where:
bonds (distance) C4'-P energy: -159.125
bonds (distance) P-C4' energy: -155.744
flat angles C4'-P-C4' energy: -184.672
flat angles P-C4'-P energy: -112.683
tors. eta vs tors. theta energy: -240.080
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2690.439990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.439990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.568082 (E_RNA)
where:
Base-Base interactions energy: -1885.866
where: short stacking energy: -800.778
Base-Backbone interact. energy: -2.007
local terms energy: -804.694592
where:
bonds (distance) C4'-P energy: -157.875
bonds (distance) P-C4' energy: -131.629
flat angles C4'-P-C4' energy: -178.511
flat angles P-C4'-P energy: -106.572
tors. eta vs tors. theta energy: -230.107
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: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2586.176211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.176211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.293885 (E_RNA)
where:
Base-Base interactions energy: -1793.114
where: short stacking energy: -718.562
Base-Backbone interact. energy: -0.944
local terms energy: -794.235489
where:
bonds (distance) C4'-P energy: -154.790
bonds (distance) P-C4' energy: -145.410
flat angles C4'-P-C4' energy: -168.670
flat angles P-C4'-P energy: -105.070
tors. eta vs tors. theta energy: -220.295
Dist. restrs. and SS energy: 2.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2385.737221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.737221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.666854 (E_RNA)
where:
Base-Base interactions energy: -1620.086
where: short stacking energy: -698.398
Base-Backbone interact. energy: 1.552
local terms energy: -769.132596
where:
bonds (distance) C4'-P energy: -125.171
bonds (distance) P-C4' energy: -151.680
flat angles C4'-P-C4' energy: -168.834
flat angles P-C4'-P energy: -118.423
tors. eta vs tors. theta energy: -205.024
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: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2203.484425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.484425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.807113 (E_RNA)
where:
Base-Base interactions energy: -1480.032
where: short stacking energy: -614.594
Base-Backbone interact. energy: -1.558
local terms energy: -724.216844
where:
bonds (distance) C4'-P energy: -137.418
bonds (distance) P-C4' energy: -146.894
flat angles C4'-P-C4' energy: -159.165
flat angles P-C4'-P energy: -106.436
tors. eta vs tors. theta energy: -174.304
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: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2058.410354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.410354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.461200 (E_RNA)
where:
Base-Base interactions energy: -1369.421
where: short stacking energy: -583.385
Base-Backbone interact. energy: 3.400
local terms energy: -694.440070
where:
bonds (distance) C4'-P energy: -132.926
bonds (distance) P-C4' energy: -137.576
flat angles C4'-P-C4' energy: -160.050
flat angles P-C4'-P energy: -106.434
tors. eta vs tors. theta energy: -157.454
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: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1975.934607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.934607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.516776 (E_RNA)
where:
Base-Base interactions energy: -1371.684
where: short stacking energy: -554.301
Base-Backbone interact. energy: -1.399
local terms energy: -606.433748
where:
bonds (distance) C4'-P energy: -113.866
bonds (distance) P-C4' energy: -132.377
flat angles C4'-P-C4' energy: -145.251
flat angles P-C4'-P energy: -83.463
tors. eta vs tors. theta energy: -131.477
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: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1883.245972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.245972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.283642 (E_RNA)
where:
Base-Base interactions energy: -1271.393
where: short stacking energy: -551.661
Base-Backbone interact. energy: 0.414
local terms energy: -615.305266
where:
bonds (distance) C4'-P energy: -121.571
bonds (distance) P-C4' energy: -138.411
flat angles C4'-P-C4' energy: -143.036
flat angles P-C4'-P energy: -87.518
tors. eta vs tors. theta energy: -124.771
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: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1868.545352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.545352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.556059 (E_RNA)
where:
Base-Base interactions energy: -1242.765
where: short stacking energy: -520.942
Base-Backbone interact. energy: -0.927
local terms energy: -628.863853
where:
bonds (distance) C4'-P energy: -115.391
bonds (distance) P-C4' energy: -131.286
flat angles C4'-P-C4' energy: -151.514
flat angles P-C4'-P energy: -94.871
tors. eta vs tors. theta energy: -135.802
Dist. restrs. and SS energy: 4.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2907.827203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.827203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.202797 (E_RNA)
where:
Base-Base interactions energy: -2026.890
where: short stacking energy: -827.630
Base-Backbone interact. energy: -2.383
local terms energy: -879.929318
where:
bonds (distance) C4'-P energy: -158.069
bonds (distance) P-C4' energy: -173.043
flat angles C4'-P-C4' energy: -188.305
flat angles P-C4'-P energy: -111.160
tors. eta vs tors. theta energy: -249.352
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2817.573635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.573635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.909380 (E_RNA)
where:
Base-Base interactions energy: -1955.636
where: short stacking energy: -835.690
Base-Backbone interact. energy: -2.522
local terms energy: -860.751138
where:
bonds (distance) C4'-P energy: -156.012
bonds (distance) P-C4' energy: -163.863
flat angles C4'-P-C4' energy: -177.540
flat angles P-C4'-P energy: -129.760
tors. eta vs tors. theta energy: -233.577
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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2678.953551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.953551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.377990 (E_RNA)
where:
Base-Base interactions energy: -1874.491
where: short stacking energy: -760.550
Base-Backbone interact. energy: 1.941
local terms energy: -807.828309
where:
bonds (distance) C4'-P energy: -137.860
bonds (distance) P-C4' energy: -150.509
flat angles C4'-P-C4' energy: -162.863
flat angles P-C4'-P energy: -117.975
tors. eta vs tors. theta energy: -238.621
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: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2594.217439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.217439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.213867 (E_RNA)
where:
Base-Base interactions energy: -1805.866
where: short stacking energy: -733.219
Base-Backbone interact. energy: -0.964
local terms energy: -789.384362
where:
bonds (distance) C4'-P energy: -152.416
bonds (distance) P-C4' energy: -157.838
flat angles C4'-P-C4' energy: -146.151
flat angles P-C4'-P energy: -114.746
tors. eta vs tors. theta energy: -218.234
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2393.276694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.276694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.874767 (E_RNA)
where:
Base-Base interactions energy: -1609.425
where: short stacking energy: -720.502
Base-Backbone interact. energy: -2.775
local terms energy: -782.673834
where:
bonds (distance) C4'-P energy: -137.361
bonds (distance) P-C4' energy: -143.278
flat angles C4'-P-C4' energy: -177.537
flat angles P-C4'-P energy: -123.392
tors. eta vs tors. theta energy: -201.106
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2183.666580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.666580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.480955 (E_RNA)
where:
Base-Base interactions energy: -1441.589
where: short stacking energy: -631.520
Base-Backbone interact. energy: 1.849
local terms energy: -745.741125
where:
bonds (distance) C4'-P energy: -156.958
bonds (distance) P-C4' energy: -147.579
flat angles C4'-P-C4' energy: -146.900
flat angles P-C4'-P energy: -105.711
tors. eta vs tors. theta energy: -188.593
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2091.909092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.909092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.526486 (E_RNA)
where:
Base-Base interactions energy: -1410.535
where: short stacking energy: -602.921
Base-Backbone interact. energy: -1.382
local terms energy: -682.609781
where:
bonds (distance) C4'-P energy: -150.716
bonds (distance) P-C4' energy: -136.051
flat angles C4'-P-C4' energy: -153.398
flat angles P-C4'-P energy: -87.326
tors. eta vs tors. theta energy: -155.120
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: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1949.918948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.918948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.257227 (E_RNA)
where:
Base-Base interactions energy: -1333.290
where: short stacking energy: -553.963
Base-Backbone interact. energy: 5.360
local terms energy: -625.327394
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -129.040
flat angles C4'-P-C4' energy: -131.457
flat angles P-C4'-P energy: -99.672
tors. eta vs tors. theta energy: -146.906
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: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1932.668303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.668303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.824042 (E_RNA)
where:
Base-Base interactions energy: -1315.973
where: short stacking energy: -538.928
Base-Backbone interact. energy: 2.900
local terms energy: -621.751275
where:
bonds (distance) C4'-P energy: -116.221
bonds (distance) P-C4' energy: -135.898
flat angles C4'-P-C4' energy: -149.723
flat angles P-C4'-P energy: -82.094
tors. eta vs tors. theta energy: -137.816
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: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1885.649812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.649812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.525152 (E_RNA)
where:
Base-Base interactions energy: -1262.187
where: short stacking energy: -538.793
Base-Backbone interact. energy: -1.454
local terms energy: -626.883942
where:
bonds (distance) C4'-P energy: -128.459
bonds (distance) P-C4' energy: -137.522
flat angles C4'-P-C4' energy: -133.761
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -136.880
Dist. restrs. and SS energy: 4.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2912.465835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.465835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.402369 (E_RNA)
where:
Base-Base interactions energy: -2042.131
where: short stacking energy: -869.635
Base-Backbone interact. energy: -4.132
local terms energy: -868.138898
where:
bonds (distance) C4'-P energy: -159.615
bonds (distance) P-C4' energy: -153.424
flat angles C4'-P-C4' energy: -176.080
flat angles P-C4'-P energy: -124.565
tors. eta vs tors. theta energy: -254.455
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: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2806.343575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.343575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.795048 (E_RNA)
where:
Base-Base interactions energy: -1949.184
where: short stacking energy: -816.745
Base-Backbone interact. energy: -2.349
local terms energy: -856.262145
where:
bonds (distance) C4'-P energy: -154.316
bonds (distance) P-C4' energy: -174.085
flat angles C4'-P-C4' energy: -177.909
flat angles P-C4'-P energy: -112.867
tors. eta vs tors. theta energy: -237.085
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2612.134480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.134480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.555599 (E_RNA)
where:
Base-Base interactions energy: -1795.695
where: short stacking energy: -732.741
Base-Backbone interact. energy: -3.519
local terms energy: -814.341695
where:
bonds (distance) C4'-P energy: -152.895
bonds (distance) P-C4' energy: -148.449
flat angles C4'-P-C4' energy: -174.414
flat angles P-C4'-P energy: -126.878
tors. eta vs tors. theta energy: -211.705
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: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2613.254461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.254461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.966281 (E_RNA)
where:
Base-Base interactions energy: -1786.954
where: short stacking energy: -747.414
Base-Backbone interact. energy: -2.332
local terms energy: -825.680099
where:
bonds (distance) C4'-P energy: -142.862
bonds (distance) P-C4' energy: -166.700
flat angles C4'-P-C4' energy: -183.697
flat angles P-C4'-P energy: -116.463
tors. eta vs tors. theta energy: -215.958
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2360.940874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.940874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.244537 (E_RNA)
where:
Base-Base interactions energy: -1601.876
where: short stacking energy: -677.764
Base-Backbone interact. energy: -2.403
local terms energy: -758.965119
where:
bonds (distance) C4'-P energy: -139.179
bonds (distance) P-C4' energy: -152.992
flat angles C4'-P-C4' energy: -173.768
flat angles P-C4'-P energy: -105.936
tors. eta vs tors. theta energy: -187.090
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: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2176.724724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.724724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.077801 (E_RNA)
where:
Base-Base interactions energy: -1453.691
where: short stacking energy: -655.332
Base-Backbone interact. energy: -3.258
local terms energy: -722.128793
where:
bonds (distance) C4'-P energy: -143.538
bonds (distance) P-C4' energy: -139.687
flat angles C4'-P-C4' energy: -162.847
flat angles P-C4'-P energy: -91.994
tors. eta vs tors. theta energy: -184.063
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2072.720676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.720676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.325172 (E_RNA)
where:
Base-Base interactions energy: -1402.171
where: short stacking energy: -598.458
Base-Backbone interact. energy: 3.494
local terms energy: -675.647903
where:
bonds (distance) C4'-P energy: -135.368
bonds (distance) P-C4' energy: -138.799
flat angles C4'-P-C4' energy: -138.115
flat angles P-C4'-P energy: -100.358
tors. eta vs tors. theta energy: -163.007
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: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1931.130196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.130196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.569373 (E_RNA)
where:
Base-Base interactions energy: -1296.767
where: short stacking energy: -542.061
Base-Backbone interact. energy: -4.424
local terms energy: -642.378718
where:
bonds (distance) C4'-P energy: -146.462
bonds (distance) P-C4' energy: -122.272
flat angles C4'-P-C4' energy: -152.704
flat angles P-C4'-P energy: -81.358
tors. eta vs tors. theta energy: -139.582
Dist. restrs. and SS energy: 12.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1905.316160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.316160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.335090 (E_RNA)
where:
Base-Base interactions energy: -1278.019
where: short stacking energy: -541.920
Base-Backbone interact. energy: -3.425
local terms energy: -625.891498
where:
bonds (distance) C4'-P energy: -134.394
bonds (distance) P-C4' energy: -136.984
flat angles C4'-P-C4' energy: -138.801
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -138.261
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: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1803.895026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.895026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.471806 (E_RNA)
where:
Base-Base interactions energy: -1193.283
where: short stacking energy: -476.257
Base-Backbone interact. energy: -4.719
local terms energy: -615.470212
where:
bonds (distance) C4'-P energy: -130.442
bonds (distance) P-C4' energy: -142.344
flat angles C4'-P-C4' energy: -123.742
flat angles P-C4'-P energy: -97.081
tors. eta vs tors. theta energy: -121.862
Dist. restrs. and SS energy: 9.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2913.570492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.570492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.231963 (E_RNA)
where:
Base-Base interactions energy: -2004.944
where: short stacking energy: -814.649
Base-Backbone interact. energy: 2.058
local terms energy: -911.345891
where:
bonds (distance) C4'-P energy: -165.914
bonds (distance) P-C4' energy: -174.512
flat angles C4'-P-C4' energy: -188.985
flat angles P-C4'-P energy: -132.834
tors. eta vs tors. theta energy: -249.100
Dist. restrs. and SS energy: 0.661 (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: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2846.288622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.288622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.726491 (E_RNA)
where:
Base-Base interactions energy: -2002.041
where: short stacking energy: -833.989
Base-Backbone interact. energy: -5.538
local terms energy: -841.147098
where:
bonds (distance) C4'-P energy: -153.712
bonds (distance) P-C4' energy: -149.146
flat angles C4'-P-C4' energy: -178.233
flat angles P-C4'-P energy: -123.015
tors. eta vs tors. theta energy: -237.041
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: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2711.821246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.821246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.298141 (E_RNA)
where:
Base-Base interactions energy: -1881.809
where: short stacking energy: -794.008
Base-Backbone interact. energy: 1.439
local terms energy: -832.928218
where:
bonds (distance) C4'-P energy: -134.981
bonds (distance) P-C4' energy: -163.589
flat angles C4'-P-C4' energy: -185.498
flat angles P-C4'-P energy: -118.348
tors. eta vs tors. theta energy: -230.512
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2546.034069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.034069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.239828 (E_RNA)
where:
Base-Base interactions energy: -1733.202
where: short stacking energy: -718.669
Base-Backbone interact. energy: -1.293
local terms energy: -813.744456
where:
bonds (distance) C4'-P energy: -157.194
bonds (distance) P-C4' energy: -165.192
flat angles C4'-P-C4' energy: -174.515
flat angles P-C4'-P energy: -115.921
tors. eta vs tors. theta energy: -200.923
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: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2361.981305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.981305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.288846 (E_RNA)
where:
Base-Base interactions energy: -1610.607
where: short stacking energy: -702.843
Base-Backbone interact. energy: -1.247
local terms energy: -752.434600
where:
bonds (distance) C4'-P energy: -138.722
bonds (distance) P-C4' energy: -154.265
flat angles C4'-P-C4' energy: -162.024
flat angles P-C4'-P energy: -94.912
tors. eta vs tors. theta energy: -202.512
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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2235.104230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.104230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.743000 (E_RNA)
where:
Base-Base interactions energy: -1496.163
where: short stacking energy: -663.370
Base-Backbone interact. energy: 1.947
local terms energy: -742.527467
where:
bonds (distance) C4'-P energy: -123.900
bonds (distance) P-C4' energy: -148.464
flat angles C4'-P-C4' energy: -165.968
flat angles P-C4'-P energy: -121.570
tors. eta vs tors. theta energy: -182.626
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2071.894826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.894826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.122298 (E_RNA)
where:
Base-Base interactions energy: -1393.471
where: short stacking energy: -586.817
Base-Backbone interact. energy: 1.952
local terms energy: -682.602890
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -149.021
flat angles P-C4'-P energy: -108.720
tors. eta vs tors. theta energy: -163.616
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1950.765977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.765977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.974563 (E_RNA)
where:
Base-Base interactions energy: -1323.756
where: short stacking energy: -565.777
Base-Backbone interact. energy: -0.731
local terms energy: -629.487616
where:
bonds (distance) C4'-P energy: -115.882
bonds (distance) P-C4' energy: -130.872
flat angles C4'-P-C4' energy: -158.582
flat angles P-C4'-P energy: -84.912
tors. eta vs tors. theta energy: -139.239
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: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1864.091051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.091051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.725733 (E_RNA)
where:
Base-Base interactions energy: -1295.516
where: short stacking energy: -500.229
Base-Backbone interact. energy: -1.587
local terms energy: -569.622722
where:
bonds (distance) C4'-P energy: -123.733
bonds (distance) P-C4' energy: -124.038
flat angles C4'-P-C4' energy: -124.012
flat angles P-C4'-P energy: -90.930
tors. eta vs tors. theta energy: -106.909
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: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1800.418416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.418416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.347825 (E_RNA)
where:
Base-Base interactions energy: -1265.513
where: short stacking energy: -532.808
Base-Backbone interact. energy: 7.055
local terms energy: -549.889869
where:
bonds (distance) C4'-P energy: -111.031
bonds (distance) P-C4' energy: -126.130
flat angles C4'-P-C4' energy: -127.976
flat angles P-C4'-P energy: -75.345
tors. eta vs tors. theta energy: -109.408
Dist. restrs. and SS energy: 7.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2882.477110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.477110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.577969 (E_RNA)
where:
Base-Base interactions energy: -1993.900
where: short stacking energy: -845.782
Base-Backbone interact. energy: 0.290
local terms energy: -889.968141
where:
bonds (distance) C4'-P energy: -158.780
bonds (distance) P-C4' energy: -164.966
flat angles C4'-P-C4' energy: -199.879
flat angles P-C4'-P energy: -124.485
tors. eta vs tors. theta energy: -241.859
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2785.893487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.893487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.236207 (E_RNA)
where:
Base-Base interactions energy: -1933.894
where: short stacking energy: -813.818
Base-Backbone interact. energy: -3.926
local terms energy: -850.416550
where:
bonds (distance) C4'-P energy: -161.556
bonds (distance) P-C4' energy: -159.137
flat angles C4'-P-C4' energy: -181.712
flat angles P-C4'-P energy: -105.484
tors. eta vs tors. theta energy: -242.527
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: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2673.428720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.428720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.330448 (E_RNA)
where:
Base-Base interactions energy: -1849.087
where: short stacking energy: -786.698
Base-Backbone interact. energy: -1.710
local terms energy: -824.533625
where:
bonds (distance) C4'-P energy: -154.947
bonds (distance) P-C4' energy: -146.112
flat angles C4'-P-C4' energy: -183.450
flat angles P-C4'-P energy: -111.992
tors. eta vs tors. theta energy: -228.033
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2557.320371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.320371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.005981 (E_RNA)
where:
Base-Base interactions energy: -1774.554
where: short stacking energy: -738.762
Base-Backbone interact. energy: -4.427
local terms energy: -781.024479
where:
bonds (distance) C4'-P energy: -129.246
bonds (distance) P-C4' energy: -152.925
flat angles C4'-P-C4' energy: -173.099
flat angles P-C4'-P energy: -118.019
tors. eta vs tors. theta energy: -207.736
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: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2388.983414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.983414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.479308 (E_RNA)
where:
Base-Base interactions energy: -1602.188
where: short stacking energy: -661.274
Base-Backbone interact. energy: -4.485
local terms energy: -784.806269
where:
bonds (distance) C4'-P energy: -150.928
bonds (distance) P-C4' energy: -146.997
flat angles C4'-P-C4' energy: -175.385
flat angles P-C4'-P energy: -121.668
tors. eta vs tors. theta energy: -189.828
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2205.220807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.220807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.519230 (E_RNA)
where:
Base-Base interactions energy: -1471.482
where: short stacking energy: -651.450
Base-Backbone interact. energy: -3.892
local terms energy: -733.145973
where:
bonds (distance) C4'-P energy: -135.748
bonds (distance) P-C4' energy: -139.340
flat angles C4'-P-C4' energy: -171.008
flat angles P-C4'-P energy: -106.800
tors. eta vs tors. theta energy: -180.250
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: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2119.714748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.714748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.826784 (E_RNA)
where:
Base-Base interactions energy: -1448.778
where: short stacking energy: -598.329
Base-Backbone interact. energy: 3.776
local terms energy: -676.825103
where:
bonds (distance) C4'-P energy: -110.580
bonds (distance) P-C4' energy: -149.895
flat angles C4'-P-C4' energy: -148.879
flat angles P-C4'-P energy: -107.022
tors. eta vs tors. theta energy: -160.449
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2066.315934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.315934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.141656 (E_RNA)
where:
Base-Base interactions energy: -1409.672
where: short stacking energy: -597.971
Base-Backbone interact. energy: 0.115
local terms energy: -659.585524
where:
bonds (distance) C4'-P energy: -125.261
bonds (distance) P-C4' energy: -147.742
flat angles C4'-P-C4' energy: -159.203
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -151.368
Dist. restrs. and SS energy: 2.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1888.193701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.193701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.653301 (E_RNA)
where:
Base-Base interactions energy: -1276.304
where: short stacking energy: -565.217
Base-Backbone interact. energy: 3.667
local terms energy: -621.016731
where:
bonds (distance) C4'-P energy: -121.240
bonds (distance) P-C4' energy: -121.246
flat angles C4'-P-C4' energy: -152.080
flat angles P-C4'-P energy: -96.913
tors. eta vs tors. theta energy: -129.537
Dist. restrs. and SS energy: 5.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1893.828667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.828667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.202126 (E_RNA)
where:
Base-Base interactions energy: -1279.837
where: short stacking energy: -547.084
Base-Backbone interact. energy: -0.172
local terms energy: -618.193575
where:
bonds (distance) C4'-P energy: -126.850
bonds (distance) P-C4' energy: -126.803
flat angles C4'-P-C4' energy: -143.904
flat angles P-C4'-P energy: -83.732
tors. eta vs tors. theta energy: -136.905
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2870.653535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.653535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.912352 (E_RNA)
where:
Base-Base interactions energy: -2013.206
where: short stacking energy: -829.432
Base-Backbone interact. energy: -3.288
local terms energy: -855.418661
where:
bonds (distance) C4'-P energy: -156.658
bonds (distance) P-C4' energy: -160.373
flat angles C4'-P-C4' energy: -185.711
flat angles P-C4'-P energy: -116.698
tors. eta vs tors. theta energy: -235.979
Dist. restrs. and SS energy: 1.259 (S_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: 402
Temperature: 0.950000
Total energy: -2760.503305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.503305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.421704 (E_RNA)
where:
Base-Base interactions energy: -1905.939
where: short stacking energy: -804.432
Base-Backbone interact. energy: -6.005
local terms energy: -851.477546
where:
bonds (distance) C4'-P energy: -145.719
bonds (distance) P-C4' energy: -166.246
flat angles C4'-P-C4' energy: -187.152
flat angles P-C4'-P energy: -113.265
tors. eta vs tors. theta energy: -239.095
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: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2711.434144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.434144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.630323 (E_RNA)
where:
Base-Base interactions energy: -1890.283
where: short stacking energy: -792.723
Base-Backbone interact. energy: 0.450
local terms energy: -822.796982
where:
bonds (distance) C4'-P energy: -152.250
bonds (distance) P-C4' energy: -146.760
flat angles C4'-P-C4' energy: -185.280
flat angles P-C4'-P energy: -113.971
tors. eta vs tors. theta energy: -224.535
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: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2558.524772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.524772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.081702 (E_RNA)
where:
Base-Base interactions energy: -1764.064
where: short stacking energy: -719.747
Base-Backbone interact. energy: 0.153
local terms energy: -796.171328
where:
bonds (distance) C4'-P energy: -151.796
bonds (distance) P-C4' energy: -154.653
flat angles C4'-P-C4' energy: -165.807
flat angles P-C4'-P energy: -109.083
tors. eta vs tors. theta energy: -214.833
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: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2357.803700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.803700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.213903 (E_RNA)
where:
Base-Base interactions energy: -1622.210
where: short stacking energy: -717.660
Base-Backbone interact. energy: 7.447
local terms energy: -745.450870
where:
bonds (distance) C4'-P energy: -136.521
bonds (distance) P-C4' energy: -132.455
flat angles C4'-P-C4' energy: -179.397
flat angles P-C4'-P energy: -96.831
tors. eta vs tors. theta energy: -200.247
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: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2187.474499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.474499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.450683 (E_RNA)
where:
Base-Base interactions energy: -1513.183
where: short stacking energy: -636.501
Base-Backbone interact. energy: 0.642
local terms energy: -677.909375
where:
bonds (distance) C4'-P energy: -114.791
bonds (distance) P-C4' energy: -141.464
flat angles C4'-P-C4' energy: -146.077
flat angles P-C4'-P energy: -110.207
tors. eta vs tors. theta energy: -165.371
Dist. restrs. and SS energy: 2.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2134.799408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.799408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.685224 (E_RNA)
where:
Base-Base interactions energy: -1451.916
where: short stacking energy: -604.812
Base-Backbone interact. energy: 13.666
local terms energy: -699.435001
where:
bonds (distance) C4'-P energy: -139.126
bonds (distance) P-C4' energy: -129.541
flat angles C4'-P-C4' energy: -163.661
flat angles P-C4'-P energy: -107.077
tors. eta vs tors. theta energy: -160.030
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2005.405339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.405339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.191660 (E_RNA)
where:
Base-Base interactions energy: -1350.650
where: short stacking energy: -569.661
Base-Backbone interact. energy: 1.711
local terms energy: -659.252266
where:
bonds (distance) C4'-P energy: -129.531
bonds (distance) P-C4' energy: -124.774
flat angles C4'-P-C4' energy: -153.819
flat angles P-C4'-P energy: -94.502
tors. eta vs tors. theta energy: -156.628
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: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1865.482168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.482168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.614805 (E_RNA)
where:
Base-Base interactions energy: -1264.382
where: short stacking energy: -545.505
Base-Backbone interact. energy: -1.866
local terms energy: -604.366525
where:
bonds (distance) C4'-P energy: -130.788
bonds (distance) P-C4' energy: -133.164
flat angles C4'-P-C4' energy: -136.863
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -126.622
Dist. restrs. and SS energy: 5.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1931.238818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.238818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.947321 (E_RNA)
where:
Base-Base interactions energy: -1313.019
where: short stacking energy: -555.486
Base-Backbone interact. energy: 11.442
local terms energy: -632.370077
where:
bonds (distance) C4'-P energy: -128.633
bonds (distance) P-C4' energy: -132.381
flat angles C4'-P-C4' energy: -132.344
flat angles P-C4'-P energy: -90.210
tors. eta vs tors. theta energy: -148.802
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: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2908.142789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.142789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.411009 (E_RNA)
where:
Base-Base interactions energy: -2019.531
where: short stacking energy: -822.333
Base-Backbone interact. energy: -2.089
local terms energy: -887.790707
where:
bonds (distance) C4'-P energy: -168.082
bonds (distance) P-C4' energy: -156.977
flat angles C4'-P-C4' energy: -196.189
flat angles P-C4'-P energy: -135.733
tors. eta vs tors. theta energy: -230.810
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: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2798.206699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.206699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.045023 (E_RNA)
where:
Base-Base interactions energy: -1948.137
where: short stacking energy: -798.445
Base-Backbone interact. energy: -3.196
local terms energy: -848.711446
where:
bonds (distance) C4'-P energy: -153.483
bonds (distance) P-C4' energy: -161.547
flat angles C4'-P-C4' energy: -184.865
flat angles P-C4'-P energy: -128.754
tors. eta vs tors. theta energy: -220.062
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: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2683.542493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.542493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.366200 (E_RNA)
where:
Base-Base interactions energy: -1839.876
where: short stacking energy: -760.234
Base-Backbone interact. energy: -2.701
local terms energy: -841.788998
where:
bonds (distance) C4'-P energy: -158.481
bonds (distance) P-C4' energy: -165.224
flat angles C4'-P-C4' energy: -180.547
flat angles P-C4'-P energy: -115.893
tors. eta vs tors. theta energy: -221.643
Dist. restrs. and SS energy: 0.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2532.884099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.884099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.644061 (E_RNA)
where:
Base-Base interactions energy: -1728.977
where: short stacking energy: -742.111
Base-Backbone interact. energy: -0.515
local terms energy: -805.151867
where:
bonds (distance) C4'-P energy: -140.921
bonds (distance) P-C4' energy: -166.809
flat angles C4'-P-C4' energy: -163.114
flat angles P-C4'-P energy: -122.935
tors. eta vs tors. theta energy: -211.374
Dist. restrs. and SS energy: 1.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2354.936677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.936677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.623074 (E_RNA)
where:
Base-Base interactions energy: -1617.168
where: short stacking energy: -707.921
Base-Backbone interact. energy: -1.434
local terms energy: -740.021114
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -145.712
flat angles C4'-P-C4' energy: -161.157
flat angles P-C4'-P energy: -101.158
tors. eta vs tors. theta energy: -198.753
Dist. restrs. and SS energy: 3.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2172.763619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.763619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.551508 (E_RNA)
where:
Base-Base interactions energy: -1463.599
where: short stacking energy: -627.179
Base-Backbone interact. energy: -2.164
local terms energy: -709.789122
where:
bonds (distance) C4'-P energy: -141.966
bonds (distance) P-C4' energy: -137.017
flat angles C4'-P-C4' energy: -162.690
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -165.719
Dist. restrs. and SS energy: 2.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2103.751043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.751043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.866438 (E_RNA)
where:
Base-Base interactions energy: -1414.604
where: short stacking energy: -609.126
Base-Backbone interact. energy: -1.816
local terms energy: -689.446167
where:
bonds (distance) C4'-P energy: -132.436
bonds (distance) P-C4' energy: -149.062
flat angles C4'-P-C4' energy: -155.357
flat angles P-C4'-P energy: -98.204
tors. eta vs tors. theta energy: -154.388
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1989.351385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.351385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.051738 (E_RNA)
where:
Base-Base interactions energy: -1294.303
where: short stacking energy: -572.818
Base-Backbone interact. energy: 5.186
local terms energy: -702.934075
where:
bonds (distance) C4'-P energy: -152.426
bonds (distance) P-C4' energy: -142.836
flat angles C4'-P-C4' energy: -154.300
flat angles P-C4'-P energy: -97.479
tors. eta vs tors. theta energy: -155.894
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1948.287415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.287415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.613221 (E_RNA)
where:
Base-Base interactions energy: -1320.571
where: short stacking energy: -569.545
Base-Backbone interact. energy: -1.969
local terms energy: -630.073249
where:
bonds (distance) C4'-P energy: -104.518
bonds (distance) P-C4' energy: -138.049
flat angles C4'-P-C4' energy: -145.922
flat angles P-C4'-P energy: -94.717
tors. eta vs tors. theta energy: -146.867
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: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1866.172364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.172364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.218800 (E_RNA)
where:
Base-Base interactions energy: -1265.124
where: short stacking energy: -543.127
Base-Backbone interact. energy: 0.157
local terms energy: -610.251877
where:
bonds (distance) C4'-P energy: -128.127
bonds (distance) P-C4' energy: -112.550
flat angles C4'-P-C4' energy: -152.085
flat angles P-C4'-P energy: -75.765
tors. eta vs tors. theta energy: -141.725
Dist. restrs. and SS energy: 9.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2868.678147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.678147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.801706 (E_RNA)
where:
Base-Base interactions energy: -1990.512
where: short stacking energy: -801.606
Base-Backbone interact. energy: -3.047
local terms energy: -876.243204
where:
bonds (distance) C4'-P energy: -155.164
bonds (distance) P-C4' energy: -181.005
flat angles C4'-P-C4' energy: -179.198
flat angles P-C4'-P energy: -119.966
tors. eta vs tors. theta energy: -240.911
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: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2791.341213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.341213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.502449 (E_RNA)
where:
Base-Base interactions energy: -1953.834
where: short stacking energy: -802.020
Base-Backbone interact. energy: -2.515
local terms energy: -837.154349
where:
bonds (distance) C4'-P energy: -162.784
bonds (distance) P-C4' energy: -147.524
flat angles C4'-P-C4' energy: -179.153
flat angles P-C4'-P energy: -118.057
tors. eta vs tors. theta energy: -229.637
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2633.721033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.721033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.144021 (E_RNA)
where:
Base-Base interactions energy: -1837.496
where: short stacking energy: -739.468
Base-Backbone interact. energy: -3.212
local terms energy: -795.435657
where:
bonds (distance) C4'-P energy: -151.712
bonds (distance) P-C4' energy: -143.271
flat angles C4'-P-C4' energy: -182.849
flat angles P-C4'-P energy: -102.705
tors. eta vs tors. theta energy: -214.899
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2525.588918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.588918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.504091 (E_RNA)
where:
Base-Base interactions energy: -1730.217
where: short stacking energy: -754.409
Base-Backbone interact. energy: 2.572
local terms energy: -799.858944
where:
bonds (distance) C4'-P energy: -141.001
bonds (distance) P-C4' energy: -163.525
flat angles C4'-P-C4' energy: -167.909
flat angles P-C4'-P energy: -107.841
tors. eta vs tors. theta energy: -219.583
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: 404
Temperature: 1.100000
Total energy: -2378.812331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.812331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.674440 (E_RNA)
where:
Base-Base interactions energy: -1641.773
where: short stacking energy: -697.243
Base-Backbone interact. energy: -0.789
local terms energy: -740.112976
where:
bonds (distance) C4'-P energy: -153.563
bonds (distance) P-C4' energy: -144.026
flat angles C4'-P-C4' energy: -165.661
flat angles P-C4'-P energy: -75.231
tors. eta vs tors. theta energy: -201.632
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2242.986817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.986817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.668695 (E_RNA)
where:
Base-Base interactions energy: -1524.746
where: short stacking energy: -652.086
Base-Backbone interact. energy: 2.095
local terms energy: -723.017487
where:
bonds (distance) C4'-P energy: -157.264
bonds (distance) P-C4' energy: -139.092
flat angles C4'-P-C4' energy: -157.407
flat angles P-C4'-P energy: -96.527
tors. eta vs tors. theta energy: -172.729
Dist. restrs. and SS energy: 2.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2059.257332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.257332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.796809 (E_RNA)
where:
Base-Base interactions energy: -1398.471
where: short stacking energy: -610.967
Base-Backbone interact. energy: 1.781
local terms energy: -666.106825
where:
bonds (distance) C4'-P energy: -126.774
bonds (distance) P-C4' energy: -130.621
flat angles C4'-P-C4' energy: -156.457
flat angles P-C4'-P energy: -95.889
tors. eta vs tors. theta energy: -156.366
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: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2024.652890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.652890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.926682 (E_RNA)
where:
Base-Base interactions energy: -1370.654
where: short stacking energy: -557.314
Base-Backbone interact. energy: -1.610
local terms energy: -654.662620
where:
bonds (distance) C4'-P energy: -121.957
bonds (distance) P-C4' energy: -145.231
flat angles C4'-P-C4' energy: -134.243
flat angles P-C4'-P energy: -101.064
tors. eta vs tors. theta energy: -152.167
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: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1953.388314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.388314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.478405 (E_RNA)
where:
Base-Base interactions energy: -1322.969
where: short stacking energy: -567.595
Base-Backbone interact. energy: 0.150
local terms energy: -633.658862
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -119.845
flat angles C4'-P-C4' energy: -140.144
flat angles P-C4'-P energy: -87.043
tors. eta vs tors. theta energy: -151.141
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1896.216455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.216455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.274150 (E_RNA)
where:
Base-Base interactions energy: -1283.304
where: short stacking energy: -545.896
Base-Backbone interact. energy: -0.251
local terms energy: -615.719228
where:
bonds (distance) C4'-P energy: -124.044
bonds (distance) P-C4' energy: -135.504
flat angles C4'-P-C4' energy: -141.608
flat angles P-C4'-P energy: -87.375
tors. eta vs tors. theta energy: -127.187
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: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2872.755015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.755015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.879644 (E_RNA)
where:
Base-Base interactions energy: -2014.310
where: short stacking energy: -848.053
Base-Backbone interact. energy: -3.847
local terms energy: -856.723071
where:
bonds (distance) C4'-P energy: -159.379
bonds (distance) P-C4' energy: -169.943
flat angles C4'-P-C4' energy: -177.365
flat angles P-C4'-P energy: -107.770
tors. eta vs tors. theta energy: -242.266
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2770.524549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.524549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.397505 (E_RNA)
where:
Base-Base interactions energy: -1920.175
where: short stacking energy: -795.117
Base-Backbone interact. energy: 1.218
local terms energy: -853.440910
where:
bonds (distance) C4'-P energy: -151.775
bonds (distance) P-C4' energy: -159.726
flat angles C4'-P-C4' energy: -183.951
flat angles P-C4'-P energy: -125.255
tors. eta vs tors. theta energy: -232.734
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: 405
Temperature: 1.000000
Total energy: -2664.546043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.546043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.930856 (E_RNA)
where:
Base-Base interactions energy: -1864.233
where: short stacking energy: -788.802
Base-Backbone interact. energy: 5.624
local terms energy: -808.321474
where:
bonds (distance) C4'-P energy: -153.987
bonds (distance) P-C4' energy: -157.966
flat angles C4'-P-C4' energy: -179.438
flat angles P-C4'-P energy: -104.569
tors. eta vs tors. theta energy: -212.362
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: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2531.401942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.401942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.116506 (E_RNA)
where:
Base-Base interactions energy: -1738.184
where: short stacking energy: -739.025
Base-Backbone interact. energy: -2.368
local terms energy: -792.564995
where:
bonds (distance) C4'-P energy: -144.789
bonds (distance) P-C4' energy: -142.944
flat angles C4'-P-C4' energy: -172.819
flat angles P-C4'-P energy: -107.346
tors. eta vs tors. theta energy: -224.667
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2382.748133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.748133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.284919 (E_RNA)
where:
Base-Base interactions energy: -1638.158
where: short stacking energy: -714.424
Base-Backbone interact. energy: -3.371
local terms energy: -743.756374
where:
bonds (distance) C4'-P energy: -136.232
bonds (distance) P-C4' energy: -140.895
flat angles C4'-P-C4' energy: -167.329
flat angles P-C4'-P energy: -103.538
tors. eta vs tors. theta energy: -195.763
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2263.227445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.227445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.255123 (E_RNA)
where:
Base-Base interactions energy: -1542.165
where: short stacking energy: -671.978
Base-Backbone interact. energy: -4.784
local terms energy: -718.306224
where:
bonds (distance) C4'-P energy: -134.465
bonds (distance) P-C4' energy: -138.340
flat angles C4'-P-C4' energy: -167.443
flat angles P-C4'-P energy: -96.914
tors. eta vs tors. theta energy: -181.144
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: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2089.550230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.550230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.596339 (E_RNA)
where:
Base-Base interactions energy: -1403.882
where: short stacking energy: -607.500
Base-Backbone interact. energy: 0.864
local terms energy: -689.578633
where:
bonds (distance) C4'-P energy: -136.092
bonds (distance) P-C4' energy: -138.306
flat angles C4'-P-C4' energy: -168.963
flat angles P-C4'-P energy: -100.104
tors. eta vs tors. theta energy: -146.113
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: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1984.811292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.811292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.094750 (E_RNA)
where:
Base-Base interactions energy: -1338.818
where: short stacking energy: -581.475
Base-Backbone interact. energy: 1.566
local terms energy: -650.842572
where:
bonds (distance) C4'-P energy: -124.026
bonds (distance) P-C4' energy: -154.647
flat angles C4'-P-C4' energy: -146.273
flat angles P-C4'-P energy: -81.071
tors. eta vs tors. theta energy: -144.825
Dist. restrs. and SS energy: 3.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1920.229562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.229562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.621103 (E_RNA)
where:
Base-Base interactions energy: -1292.556
where: short stacking energy: -554.747
Base-Backbone interact. energy: 3.028
local terms energy: -634.092845
where:
bonds (distance) C4'-P energy: -115.538
bonds (distance) P-C4' energy: -159.326
flat angles C4'-P-C4' energy: -134.711
flat angles P-C4'-P energy: -86.986
tors. eta vs tors. theta energy: -137.532
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: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1848.246038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.246038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.689133 (E_RNA)
where:
Base-Base interactions energy: -1246.593
where: short stacking energy: -519.814
Base-Backbone interact. energy: 2.338
local terms energy: -607.433571
where:
bonds (distance) C4'-P energy: -130.891
bonds (distance) P-C4' energy: -133.956
flat angles C4'-P-C4' energy: -131.111
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -141.601
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: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2861.562829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.562829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.917441 (E_RNA)
where:
Base-Base interactions energy: -1992.636
where: short stacking energy: -828.744
Base-Backbone interact. energy: -2.658
local terms energy: -868.623089
where:
bonds (distance) C4'-P energy: -142.814
bonds (distance) P-C4' energy: -159.601
flat angles C4'-P-C4' energy: -192.103
flat angles P-C4'-P energy: -125.975
tors. eta vs tors. theta energy: -248.129
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: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2780.196113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.196113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.539353 (E_RNA)
where:
Base-Base interactions energy: -1939.572
where: short stacking energy: -779.979
Base-Backbone interact. energy: -3.762
local terms energy: -838.205137
where:
bonds (distance) C4'-P energy: -159.267
bonds (distance) P-C4' energy: -168.514
flat angles C4'-P-C4' energy: -167.218
flat angles P-C4'-P energy: -121.310
tors. eta vs tors. theta energy: -221.896
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: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2637.134312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.134312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.264713 (E_RNA)
where:
Base-Base interactions energy: -1815.458
where: short stacking energy: -766.221
Base-Backbone interact. energy: -2.850
local terms energy: -820.956621
where:
bonds (distance) C4'-P energy: -139.796
bonds (distance) P-C4' energy: -162.474
flat angles C4'-P-C4' energy: -166.198
flat angles P-C4'-P energy: -119.365
tors. eta vs tors. theta energy: -233.123
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: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2536.187511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.187511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.543319 (E_RNA)
where:
Base-Base interactions energy: -1765.419
where: short stacking energy: -741.487
Base-Backbone interact. energy: 4.333
local terms energy: -777.457355
where:
bonds (distance) C4'-P energy: -147.021
bonds (distance) P-C4' energy: -148.111
flat angles C4'-P-C4' energy: -155.325
flat angles P-C4'-P energy: -104.239
tors. eta vs tors. theta energy: -222.762
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: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2353.861788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.861788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.282918 (E_RNA)
where:
Base-Base interactions energy: -1603.448
where: short stacking energy: -689.764
Base-Backbone interact. energy: 2.372
local terms energy: -755.207094
where:
bonds (distance) C4'-P energy: -136.549
bonds (distance) P-C4' energy: -152.272
flat angles C4'-P-C4' energy: -168.386
flat angles P-C4'-P energy: -98.721
tors. eta vs tors. theta energy: -199.278
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2195.725349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.725349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.675647 (E_RNA)
where:
Base-Base interactions energy: -1470.929
where: short stacking energy: -629.010
Base-Backbone interact. energy: -1.384
local terms energy: -725.363479
where:
bonds (distance) C4'-P energy: -134.440
bonds (distance) P-C4' energy: -154.840
flat angles C4'-P-C4' energy: -177.430
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -171.501
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: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2088.961284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.961284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.919645 (E_RNA)
where:
Base-Base interactions energy: -1392.353
where: short stacking energy: -585.909
Base-Backbone interact. energy: -0.096
local terms energy: -698.470896
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -141.987
flat angles C4'-P-C4' energy: -169.081
flat angles P-C4'-P energy: -101.920
tors. eta vs tors. theta energy: -155.400
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: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2005.321573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.321573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.396896 (E_RNA)
where:
Base-Base interactions energy: -1356.716
where: short stacking energy: -578.921
Base-Backbone interact. energy: -0.228
local terms energy: -651.452493
where:
bonds (distance) C4'-P energy: -138.656
bonds (distance) P-C4' energy: -137.228
flat angles C4'-P-C4' energy: -141.374
flat angles P-C4'-P energy: -96.129
tors. eta vs tors. theta energy: -138.067
Dist. restrs. and SS energy: 3.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1911.559414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.559414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.002117 (E_RNA)
where:
Base-Base interactions energy: -1268.857
where: short stacking energy: -528.144
Base-Backbone interact. energy: -2.548
local terms energy: -643.596960
where:
bonds (distance) C4'-P energy: -126.523
bonds (distance) P-C4' energy: -140.197
flat angles C4'-P-C4' energy: -162.830
flat angles P-C4'-P energy: -74.618
tors. eta vs tors. theta energy: -139.430
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: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1817.393354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.393354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.801953 (E_RNA)
where:
Base-Base interactions energy: -1220.452
where: short stacking energy: -516.003
Base-Backbone interact. energy: -1.588
local terms energy: -604.761136
where:
bonds (distance) C4'-P energy: -128.144
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -138.567
flat angles P-C4'-P energy: -84.514
tors. eta vs tors. theta energy: -133.418
Dist. restrs. and SS energy: 9.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2870.489165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.489165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.200545 (E_RNA)
where:
Base-Base interactions energy: -2003.263
where: short stacking energy: -847.572
Base-Backbone interact. energy: -1.751
local terms energy: -868.186546
where:
bonds (distance) C4'-P energy: -152.841
bonds (distance) P-C4' energy: -143.988
flat angles C4'-P-C4' energy: -196.194
flat angles P-C4'-P energy: -128.954
tors. eta vs tors. theta energy: -246.210
Dist. restrs. and SS energy: 2.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2804.972051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.972051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.383513 (E_RNA)
where:
Base-Base interactions energy: -1972.998
where: short stacking energy: -800.266
Base-Backbone interact. energy: -4.438
local terms energy: -828.947448
where:
bonds (distance) C4'-P energy: -155.857
bonds (distance) P-C4' energy: -159.097
flat angles C4'-P-C4' energy: -166.566
flat angles P-C4'-P energy: -117.946
tors. eta vs tors. theta energy: -229.482
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: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2641.894025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.894025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.864109 (E_RNA)
where:
Base-Base interactions energy: -1824.778
where: short stacking energy: -769.074
Base-Backbone interact. energy: -5.515
local terms energy: -812.571711
where:
bonds (distance) C4'-P energy: -143.183
bonds (distance) P-C4' energy: -144.432
flat angles C4'-P-C4' energy: -178.412
flat angles P-C4'-P energy: -118.982
tors. eta vs tors. theta energy: -227.564
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2486.925225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.925225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.110440 (E_RNA)
where:
Base-Base interactions energy: -1706.383
where: short stacking energy: -716.201
Base-Backbone interact. energy: -2.594
local terms energy: -779.134128
where:
bonds (distance) C4'-P energy: -145.285
bonds (distance) P-C4' energy: -152.979
flat angles C4'-P-C4' energy: -168.136
flat angles P-C4'-P energy: -109.778
tors. eta vs tors. theta energy: -202.957
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: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2365.633751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.633751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.270776 (E_RNA)
where:
Base-Base interactions energy: -1624.749
where: short stacking energy: -716.561
Base-Backbone interact. energy: 3.326
local terms energy: -746.848035
where:
bonds (distance) C4'-P energy: -130.447
bonds (distance) P-C4' energy: -135.389
flat angles C4'-P-C4' energy: -166.968
flat angles P-C4'-P energy: -109.047
tors. eta vs tors. theta energy: -204.997
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2296.411965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.411965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.670805 (E_RNA)
where:
Base-Base interactions energy: -1571.813
where: short stacking energy: -649.308
Base-Backbone interact. energy: 0.335
local terms energy: -727.193595
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -139.027
flat angles C4'-P-C4' energy: -161.048
flat angles P-C4'-P energy: -104.737
tors. eta vs tors. theta energy: -187.501
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2054.383771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.383771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.028909 (E_RNA)
where:
Base-Base interactions energy: -1384.353
where: short stacking energy: -612.733
Base-Backbone interact. energy: -2.269
local terms energy: -676.406669
where:
bonds (distance) C4'-P energy: -141.521
bonds (distance) P-C4' energy: -113.615
flat angles C4'-P-C4' energy: -158.047
flat angles P-C4'-P energy: -104.013
tors. eta vs tors. theta energy: -159.210
Dist. restrs. and SS energy: 8.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1986.275091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.275091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.726906 (E_RNA)
where:
Base-Base interactions energy: -1355.800
where: short stacking energy: -543.369
Base-Backbone interact. energy: 0.824
local terms energy: -634.750558
where:
bonds (distance) C4'-P energy: -116.882
bonds (distance) P-C4' energy: -149.711
flat angles C4'-P-C4' energy: -136.212
flat angles P-C4'-P energy: -86.220
tors. eta vs tors. theta energy: -145.725
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: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1962.211339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.211339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.367002 (E_RNA)
where:
Base-Base interactions energy: -1329.387
where: short stacking energy: -537.022
Base-Backbone interact. energy: -3.613
local terms energy: -632.367581
where:
bonds (distance) C4'-P energy: -129.191
bonds (distance) P-C4' energy: -142.806
flat angles C4'-P-C4' energy: -137.032
flat angles P-C4'-P energy: -84.144
tors. eta vs tors. theta energy: -139.194
Dist. restrs. and SS energy: 3.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1834.692523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.692523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.073264 (E_RNA)
where:
Base-Base interactions energy: -1249.086
where: short stacking energy: -508.593
Base-Backbone interact. energy: -2.879
local terms energy: -587.108680
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -104.900
flat angles C4'-P-C4' energy: -133.694
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -132.531
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2862.176315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.176315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.370349 (E_RNA)
where:
Base-Base interactions energy: -1968.628
where: short stacking energy: -827.215
Base-Backbone interact. energy: -4.520
local terms energy: -891.222283
where:
bonds (distance) C4'-P energy: -163.067
bonds (distance) P-C4' energy: -171.096
flat angles C4'-P-C4' energy: -180.369
flat angles P-C4'-P energy: -135.471
tors. eta vs tors. theta energy: -241.219
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: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2786.062918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.062918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.556896 (E_RNA)
where:
Base-Base interactions energy: -1925.821
where: short stacking energy: -798.830
Base-Backbone interact. energy: -2.279
local terms energy: -859.456248
where:
bonds (distance) C4'-P energy: -159.581
bonds (distance) P-C4' energy: -169.892
flat angles C4'-P-C4' energy: -173.400
flat angles P-C4'-P energy: -122.956
tors. eta vs tors. theta energy: -233.627
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2637.890491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.890491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.873372 (E_RNA)
where:
Base-Base interactions energy: -1811.034
where: short stacking energy: -762.458
Base-Backbone interact. energy: -3.954
local terms energy: -823.885674
where:
bonds (distance) C4'-P energy: -149.524
bonds (distance) P-C4' energy: -155.659
flat angles C4'-P-C4' energy: -178.771
flat angles P-C4'-P energy: -124.127
tors. eta vs tors. theta energy: -215.805
Dist. restrs. and SS energy: 0.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2500.746364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.746364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.016657 (E_RNA)
where:
Base-Base interactions energy: -1710.263
where: short stacking energy: -720.720
Base-Backbone interact. energy: 6.181
local terms energy: -797.935321
where:
bonds (distance) C4'-P energy: -147.184
bonds (distance) P-C4' energy: -165.264
flat angles C4'-P-C4' energy: -170.053
flat angles P-C4'-P energy: -119.156
tors. eta vs tors. theta energy: -196.278
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: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2359.799797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.799797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.591282 (E_RNA)
where:
Base-Base interactions energy: -1577.384
where: short stacking energy: -675.986
Base-Backbone interact. energy: 5.578
local terms energy: -788.785269
where:
bonds (distance) C4'-P energy: -162.683
bonds (distance) P-C4' energy: -146.254
flat angles C4'-P-C4' energy: -173.020
flat angles P-C4'-P energy: -101.672
tors. eta vs tors. theta energy: -205.157
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2253.337646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.337646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.480320 (E_RNA)
where:
Base-Base interactions energy: -1505.109
where: short stacking energy: -638.751
Base-Backbone interact. energy: -4.413
local terms energy: -745.958562
where:
bonds (distance) C4'-P energy: -143.359
bonds (distance) P-C4' energy: -154.475
flat angles C4'-P-C4' energy: -172.016
flat angles P-C4'-P energy: -98.631
tors. eta vs tors. theta energy: -177.477
Dist. restrs. and SS energy: 2.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2134.573942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.573942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.015249 (E_RNA)
where:
Base-Base interactions energy: -1477.207
where: short stacking energy: -642.497
Base-Backbone interact. energy: -3.203
local terms energy: -656.605141
where:
bonds (distance) C4'-P energy: -128.503
bonds (distance) P-C4' energy: -122.096
flat angles C4'-P-C4' energy: -164.351
flat angles P-C4'-P energy: -88.438
tors. eta vs tors. theta energy: -153.218
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: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1992.069402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.069402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.511777 (E_RNA)
where:
Base-Base interactions energy: -1347.120
where: short stacking energy: -581.094
Base-Backbone interact. energy: -2.492
local terms energy: -644.900302
where:
bonds (distance) C4'-P energy: -122.668
bonds (distance) P-C4' energy: -139.708
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -74.258
tors. eta vs tors. theta energy: -154.384
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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1943.545557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.545557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.800910 (E_RNA)
where:
Base-Base interactions energy: -1315.786
where: short stacking energy: -566.843
Base-Backbone interact. energy: -1.870
local terms energy: -629.145062
where:
bonds (distance) C4'-P energy: -119.735
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -127.983
flat angles P-C4'-P energy: -83.862
tors. eta vs tors. theta energy: -151.915
Dist. restrs. and SS energy: 3.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1880.980813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.980813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.687656 (E_RNA)
where:
Base-Base interactions energy: -1298.937
where: short stacking energy: -565.211
Base-Backbone interact. energy: 7.701
local terms energy: -593.451676
where:
bonds (distance) C4'-P energy: -116.913
bonds (distance) P-C4' energy: -125.716
flat angles C4'-P-C4' energy: -138.734
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -143.733
Dist. restrs. and SS energy: 3.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2872.931845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.931845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.089907 (E_RNA)
where:
Base-Base interactions energy: -2011.413
where: short stacking energy: -833.847
Base-Backbone interact. energy: -2.838
local terms energy: -861.839386
where:
bonds (distance) C4'-P energy: -149.819
bonds (distance) P-C4' energy: -161.111
flat angles C4'-P-C4' energy: -183.702
flat angles P-C4'-P energy: -123.403
tors. eta vs tors. theta energy: -243.805
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2753.270623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.270623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.044648 (E_RNA)
where:
Base-Base interactions energy: -1938.894
where: short stacking energy: -812.281
Base-Backbone interact. energy: -1.005
local terms energy: -815.145663
where:
bonds (distance) C4'-P energy: -146.402
bonds (distance) P-C4' energy: -152.658
flat angles C4'-P-C4' energy: -171.808
flat angles P-C4'-P energy: -113.715
tors. eta vs tors. theta energy: -230.563
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: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2669.744278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.744278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.152514 (E_RNA)
where:
Base-Base interactions energy: -1843.419
where: short stacking energy: -785.093
Base-Backbone interact. energy: -1.888
local terms energy: -825.845091
where:
bonds (distance) C4'-P energy: -142.736
bonds (distance) P-C4' energy: -160.264
flat angles C4'-P-C4' energy: -169.379
flat angles P-C4'-P energy: -123.050
tors. eta vs tors. theta energy: -230.416
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2501.502148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.502148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.275377 (E_RNA)
where:
Base-Base interactions energy: -1716.209
where: short stacking energy: -717.597
Base-Backbone interact. energy: -1.424
local terms energy: -785.642195
where:
bonds (distance) C4'-P energy: -137.746
bonds (distance) P-C4' energy: -157.939
flat angles C4'-P-C4' energy: -171.862
flat angles P-C4'-P energy: -106.724
tors. eta vs tors. theta energy: -211.370
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: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2360.439190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.439190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.090483 (E_RNA)
where:
Base-Base interactions energy: -1613.637
where: short stacking energy: -688.722
Base-Backbone interact. energy: -0.224
local terms energy: -748.229168
where:
bonds (distance) C4'-P energy: -145.724
bonds (distance) P-C4' energy: -140.233
flat angles C4'-P-C4' energy: -169.591
flat angles P-C4'-P energy: -97.766
tors. eta vs tors. theta energy: -194.915
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: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2239.266145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.266145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.486367 (E_RNA)
where:
Base-Base interactions energy: -1520.635
where: short stacking energy: -645.414
Base-Backbone interact. energy: 4.088
local terms energy: -724.939238
where:
bonds (distance) C4'-P energy: -143.301
bonds (distance) P-C4' energy: -138.149
flat angles C4'-P-C4' energy: -155.774
flat angles P-C4'-P energy: -125.348
tors. eta vs tors. theta energy: -162.367
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: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2106.900074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.900074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.785512 (E_RNA)
where:
Base-Base interactions energy: -1438.781
where: short stacking energy: -620.718
Base-Backbone interact. energy: -0.786
local terms energy: -670.218239
where:
bonds (distance) C4'-P energy: -126.175
bonds (distance) P-C4' energy: -158.940
flat angles C4'-P-C4' energy: -139.089
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -166.888
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: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2008.547639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.547639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.538977 (E_RNA)
where:
Base-Base interactions energy: -1361.564
where: short stacking energy: -574.284
Base-Backbone interact. energy: -1.550
local terms energy: -647.424111
where:
bonds (distance) C4'-P energy: -112.063
bonds (distance) P-C4' energy: -134.818
flat angles C4'-P-C4' energy: -145.099
flat angles P-C4'-P energy: -97.038
tors. eta vs tors. theta energy: -158.405
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: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1947.753183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.753183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.336850 (E_RNA)
where:
Base-Base interactions energy: -1325.463
where: short stacking energy: -552.680
Base-Backbone interact. energy: -0.672
local terms energy: -625.201967
where:
bonds (distance) C4'-P energy: -122.457
bonds (distance) P-C4' energy: -124.561
flat angles C4'-P-C4' energy: -145.165
flat angles P-C4'-P energy: -97.397
tors. eta vs tors. theta energy: -135.621
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: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1849.208173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.208173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.669081 (E_RNA)
where:
Base-Base interactions energy: -1278.554
where: short stacking energy: -526.830
Base-Backbone interact. energy: 3.166
local terms energy: -576.280874
where:
bonds (distance) C4'-P energy: -123.636
bonds (distance) P-C4' energy: -115.571
flat angles C4'-P-C4' energy: -142.671
flat angles P-C4'-P energy: -78.662
tors. eta vs tors. theta energy: -115.742
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: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2836.357091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.357091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.668967 (E_RNA)
where:
Base-Base interactions energy: -1956.677
where: short stacking energy: -825.632
Base-Backbone interact. energy: 2.844
local terms energy: -883.835996
where:
bonds (distance) C4'-P energy: -156.178
bonds (distance) P-C4' energy: -151.936
flat angles C4'-P-C4' energy: -190.629
flat angles P-C4'-P energy: -140.653
tors. eta vs tors. theta energy: -244.439
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: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2764.012776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.012776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.863258 (E_RNA)
where:
Base-Base interactions energy: -1950.430
where: short stacking energy: -788.306
Base-Backbone interact. energy: 3.408
local terms energy: -818.841809
where:
bonds (distance) C4'-P energy: -140.672
bonds (distance) P-C4' energy: -153.079
flat angles C4'-P-C4' energy: -181.175
flat angles P-C4'-P energy: -119.978
tors. eta vs tors. theta energy: -223.938
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2684.804594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.804594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.398498 (E_RNA)
where:
Base-Base interactions energy: -1880.031
where: short stacking energy: -788.493
Base-Backbone interact. energy: -3.758
local terms energy: -802.608742
where:
bonds (distance) C4'-P energy: -153.934
bonds (distance) P-C4' energy: -144.988
flat angles C4'-P-C4' energy: -177.501
flat angles P-C4'-P energy: -102.581
tors. eta vs tors. theta energy: -223.604
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2518.335260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.335260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.893512 (E_RNA)
where:
Base-Base interactions energy: -1723.495
where: short stacking energy: -750.243
Base-Backbone interact. energy: -4.149
local terms energy: -793.250265
where:
bonds (distance) C4'-P energy: -144.821
bonds (distance) P-C4' energy: -150.458
flat angles C4'-P-C4' energy: -158.112
flat angles P-C4'-P energy: -121.472
tors. eta vs tors. theta energy: -218.387
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: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2349.995481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.995481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.657901 (E_RNA)
where:
Base-Base interactions energy: -1598.294
where: short stacking energy: -663.055
Base-Backbone interact. energy: -1.621
local terms energy: -751.742241
where:
bonds (distance) C4'-P energy: -150.049
bonds (distance) P-C4' energy: -155.825
flat angles C4'-P-C4' energy: -158.194
flat angles P-C4'-P energy: -99.919
tors. eta vs tors. theta energy: -187.756
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: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2202.108566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.108566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.356223 (E_RNA)
where:
Base-Base interactions energy: -1466.453
where: short stacking energy: -631.029
Base-Backbone interact. energy: -2.500
local terms energy: -735.403524
where:
bonds (distance) C4'-P energy: -148.920
bonds (distance) P-C4' energy: -147.017
flat angles C4'-P-C4' energy: -163.539
flat angles P-C4'-P energy: -97.224
tors. eta vs tors. theta energy: -178.704
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2147.242636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.242636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.930156 (E_RNA)
where:
Base-Base interactions energy: -1451.066
where: short stacking energy: -637.806
Base-Backbone interact. energy: -2.012
local terms energy: -695.852356
where:
bonds (distance) C4'-P energy: -120.336
bonds (distance) P-C4' energy: -125.533
flat angles C4'-P-C4' energy: -151.846
flat angles P-C4'-P energy: -105.366
tors. eta vs tors. theta energy: -192.771
Dist. restrs. and SS energy: 1.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2029.260289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.260289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.941511 (E_RNA)
where:
Base-Base interactions energy: -1349.469
where: short stacking energy: -580.571
Base-Backbone interact. energy: -1.173
local terms energy: -681.298939
where:
bonds (distance) C4'-P energy: -142.340
bonds (distance) P-C4' energy: -153.840
flat angles C4'-P-C4' energy: -136.216
flat angles P-C4'-P energy: -103.886
tors. eta vs tors. theta energy: -145.017
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1986.435478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.435478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.559098 (E_RNA)
where:
Base-Base interactions energy: -1353.453
where: short stacking energy: -600.593
Base-Backbone interact. energy: 0.836
local terms energy: -636.941848
where:
bonds (distance) C4'-P energy: -135.130
bonds (distance) P-C4' energy: -111.645
flat angles C4'-P-C4' energy: -151.055
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -152.200
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: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1859.435562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.820566 (E_RNA)
where:
Base-Base interactions energy: -1287.083
where: short stacking energy: -552.304
Base-Backbone interact. energy: 4.265
local terms energy: -579.002659
where:
bonds (distance) C4'-P energy: -108.132
bonds (distance) P-C4' energy: -127.140
flat angles C4'-P-C4' energy: -133.831
flat angles P-C4'-P energy: -79.221
tors. eta vs tors. theta energy: -130.678
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2869.771020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.771020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.114149 (E_RNA)
where:
Base-Base interactions energy: -2000.489
where: short stacking energy: -840.655
Base-Backbone interact. energy: -0.248
local terms energy: -871.377558
where:
bonds (distance) C4'-P energy: -163.492
bonds (distance) P-C4' energy: -159.129
flat angles C4'-P-C4' energy: -193.250
flat angles P-C4'-P energy: -123.352
tors. eta vs tors. theta energy: -232.155
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: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2795.618753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.618753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.934082 (E_RNA)
where:
Base-Base interactions energy: -1962.134
where: short stacking energy: -776.683
Base-Backbone interact. energy: -2.751
local terms energy: -832.049339
where:
bonds (distance) C4'-P energy: -151.927
bonds (distance) P-C4' energy: -167.493
flat angles C4'-P-C4' energy: -185.180
flat angles P-C4'-P energy: -108.011
tors. eta vs tors. theta energy: -219.438
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: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2627.633973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.633973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.549030 (E_RNA)
where:
Base-Base interactions energy: -1818.340
where: short stacking energy: -749.740
Base-Backbone interact. energy: 0.420
local terms energy: -811.628866
where:
bonds (distance) C4'-P energy: -143.787
bonds (distance) P-C4' energy: -158.098
flat angles C4'-P-C4' energy: -174.472
flat angles P-C4'-P energy: -115.291
tors. eta vs tors. theta energy: -219.981
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2527.649675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.649675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.630357 (E_RNA)
where:
Base-Base interactions energy: -1774.463
where: short stacking energy: -745.279
Base-Backbone interact. energy: 0.599
local terms energy: -755.766236
where:
bonds (distance) C4'-P energy: -140.389
bonds (distance) P-C4' energy: -139.201
flat angles C4'-P-C4' energy: -165.238
flat angles P-C4'-P energy: -89.971
tors. eta vs tors. theta energy: -220.967
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2385.116289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.116289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.406473 (E_RNA)
where:
Base-Base interactions energy: -1633.108
where: short stacking energy: -723.171
Base-Backbone interact. energy: 0.267
local terms energy: -754.565151
where:
bonds (distance) C4'-P energy: -130.090
bonds (distance) P-C4' energy: -156.346
flat angles C4'-P-C4' energy: -165.389
flat angles P-C4'-P energy: -97.893
tors. eta vs tors. theta energy: -204.847
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: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2237.067324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.067324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.801953 (E_RNA)
where:
Base-Base interactions energy: -1536.806
where: short stacking energy: -616.306
Base-Backbone interact. energy: 2.250
local terms energy: -704.245794
where:
bonds (distance) C4'-P energy: -131.480
bonds (distance) P-C4' energy: -150.104
flat angles C4'-P-C4' energy: -162.973
flat angles P-C4'-P energy: -92.611
tors. eta vs tors. theta energy: -167.078
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2130.791703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.791703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.104670 (E_RNA)
where:
Base-Base interactions energy: -1445.789
where: short stacking energy: -639.503
Base-Backbone interact. energy: -1.472
local terms energy: -685.843937
where:
bonds (distance) C4'-P energy: -147.280
bonds (distance) P-C4' energy: -125.516
flat angles C4'-P-C4' energy: -146.460
flat angles P-C4'-P energy: -99.404
tors. eta vs tors. theta energy: -167.184
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1985.708684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.708684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.133730 (E_RNA)
where:
Base-Base interactions energy: -1335.224
where: short stacking energy: -553.396
Base-Backbone interact. energy: -0.518
local terms energy: -653.391963
where:
bonds (distance) C4'-P energy: -119.377
bonds (distance) P-C4' energy: -152.024
flat angles C4'-P-C4' energy: -155.834
flat angles P-C4'-P energy: -80.442
tors. eta vs tors. theta energy: -145.714
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: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -2001.966975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.966975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.693050 (E_RNA)
where:
Base-Base interactions energy: -1366.908
where: short stacking energy: -559.386
Base-Backbone interact. energy: -2.952
local terms energy: -635.832851
where:
bonds (distance) C4'-P energy: -130.607
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: -147.820
Dist. restrs. and SS energy: 3.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1864.928780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.841517 (E_RNA)
where:
Base-Base interactions energy: -1293.114
where: short stacking energy: -530.011
Base-Backbone interact. energy: 2.089
local terms energy: -578.815899
where:
bonds (distance) C4'-P energy: -105.266
bonds (distance) P-C4' energy: -129.046
flat angles C4'-P-C4' energy: -128.486
flat angles P-C4'-P energy: -90.570
tors. eta vs tors. theta energy: -125.448
Dist. restrs. and SS energy: 4.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2874.190737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.190737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.123208 (E_RNA)
where:
Base-Base interactions energy: -1979.752
where: short stacking energy: -818.593
Base-Backbone interact. energy: 0.758
local terms energy: -896.129568
where:
bonds (distance) C4'-P energy: -163.683
bonds (distance) P-C4' energy: -164.497
flat angles C4'-P-C4' energy: -182.020
flat angles P-C4'-P energy: -145.283
tors. eta vs tors. theta energy: -240.646
Dist. restrs. and SS energy: 0.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2773.527297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.527297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.754227 (E_RNA)
where:
Base-Base interactions energy: -1935.195
where: short stacking energy: -808.794
Base-Backbone interact. energy: -4.042
local terms energy: -837.516577
where:
bonds (distance) C4'-P energy: -164.909
bonds (distance) P-C4' energy: -162.018
flat angles C4'-P-C4' energy: -172.326
flat angles P-C4'-P energy: -108.252
tors. eta vs tors. theta energy: -230.012
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2617.793247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.793247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.369738 (E_RNA)
where:
Base-Base interactions energy: -1808.456
where: short stacking energy: -747.884
Base-Backbone interact. energy: -3.546
local terms energy: -808.368032
where:
bonds (distance) C4'-P energy: -145.342
bonds (distance) P-C4' energy: -160.052
flat angles C4'-P-C4' energy: -166.983
flat angles P-C4'-P energy: -119.316
tors. eta vs tors. theta energy: -216.675
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2536.841345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.841345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.648548 (E_RNA)
where:
Base-Base interactions energy: -1743.171
where: short stacking energy: -744.522
Base-Backbone interact. energy: 1.367
local terms energy: -796.844006
where:
bonds (distance) C4'-P energy: -147.968
bonds (distance) P-C4' energy: -154.251
flat angles C4'-P-C4' energy: -169.904
flat angles P-C4'-P energy: -107.127
tors. eta vs tors. theta energy: -217.593
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: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2383.627189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.627189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.310647 (E_RNA)
where:
Base-Base interactions energy: -1637.550
where: short stacking energy: -696.815
Base-Backbone interact. energy: 3.136
local terms energy: -750.896532
where:
bonds (distance) C4'-P energy: -136.300
bonds (distance) P-C4' energy: -151.632
flat angles C4'-P-C4' energy: -162.703
flat angles P-C4'-P energy: -102.448
tors. eta vs tors. theta energy: -197.814
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: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2210.684950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.684950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.748264 (E_RNA)
where:
Base-Base interactions energy: -1500.883
where: short stacking energy: -652.266
Base-Backbone interact. energy: 4.538
local terms energy: -716.403667
where:
bonds (distance) C4'-P energy: -125.002
bonds (distance) P-C4' energy: -146.013
flat angles C4'-P-C4' energy: -173.138
flat angles P-C4'-P energy: -105.277
tors. eta vs tors. theta energy: -166.974
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: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2115.618983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.618983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.135482 (E_RNA)
where:
Base-Base interactions energy: -1427.096
where: short stacking energy: -610.480
Base-Backbone interact. energy: -0.065
local terms energy: -692.973858
where:
bonds (distance) C4'-P energy: -133.511
bonds (distance) P-C4' energy: -139.567
flat angles C4'-P-C4' energy: -148.442
flat angles P-C4'-P energy: -108.974
tors. eta vs tors. theta energy: -162.480
Dist. restrs. and SS energy: 4.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1988.456338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.456338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.372574 (E_RNA)
where:
Base-Base interactions energy: -1339.437
where: short stacking energy: -580.605
Base-Backbone interact. energy: -1.292
local terms energy: -649.642895
where:
bonds (distance) C4'-P energy: -125.620
bonds (distance) P-C4' energy: -142.777
flat angles C4'-P-C4' energy: -149.056
flat angles P-C4'-P energy: -88.221
tors. eta vs tors. theta energy: -143.969
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: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1977.936493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.936493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.029869 (E_RNA)
where:
Base-Base interactions energy: -1334.187
where: short stacking energy: -559.625
Base-Backbone interact. energy: 4.506
local terms energy: -651.348685
where:
bonds (distance) C4'-P energy: -127.666
bonds (distance) P-C4' energy: -149.461
flat angles C4'-P-C4' energy: -144.469
flat angles P-C4'-P energy: -93.015
tors. eta vs tors. theta energy: -136.738
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: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1885.308774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.308774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.011261 (E_RNA)
where:
Base-Base interactions energy: -1270.087
where: short stacking energy: -522.923
Base-Backbone interact. energy: 3.368
local terms energy: -622.291716
where:
bonds (distance) C4'-P energy: -123.360
bonds (distance) P-C4' energy: -147.783
flat angles C4'-P-C4' energy: -129.532
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -123.552
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: 413
Temperature: 0.900000
Total energy: -2883.223086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.223086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.153899 (E_RNA)
where:
Base-Base interactions energy: -2028.972
where: short stacking energy: -832.970
Base-Backbone interact. energy: 7.468
local terms energy: -862.649796
where:
bonds (distance) C4'-P energy: -147.797
bonds (distance) P-C4' energy: -162.659
flat angles C4'-P-C4' energy: -173.023
flat angles P-C4'-P energy: -134.813
tors. eta vs tors. theta energy: -244.358
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2769.637926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.637926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.284320 (E_RNA)
where:
Base-Base interactions energy: -1934.854
where: short stacking energy: -793.985
Base-Backbone interact. energy: 3.767
local terms energy: -841.196362
where:
bonds (distance) C4'-P energy: -154.476
bonds (distance) P-C4' energy: -155.317
flat angles C4'-P-C4' energy: -192.913
flat angles P-C4'-P energy: -115.976
tors. eta vs tors. theta energy: -222.514
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: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2684.188111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.188111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.098598 (E_RNA)
where:
Base-Base interactions energy: -1859.474
where: short stacking energy: -775.938
Base-Backbone interact. energy: -2.375
local terms energy: -825.249345
where:
bonds (distance) C4'-P energy: -156.663
bonds (distance) P-C4' energy: -145.774
flat angles C4'-P-C4' energy: -180.509
flat angles P-C4'-P energy: -120.557
tors. eta vs tors. theta energy: -221.746
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2560.035449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.035449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.095229 (E_RNA)
where:
Base-Base interactions energy: -1762.838
where: short stacking energy: -756.762
Base-Backbone interact. energy: -2.668
local terms energy: -796.589400
where:
bonds (distance) C4'-P energy: -143.744
bonds (distance) P-C4' energy: -148.283
flat angles C4'-P-C4' energy: -176.164
flat angles P-C4'-P energy: -103.219
tors. eta vs tors. theta energy: -225.180
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: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2370.904240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.904240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.938019 (E_RNA)
where:
Base-Base interactions energy: -1593.410
where: short stacking energy: -711.343
Base-Backbone interact. energy: 1.244
local terms energy: -780.771888
where:
bonds (distance) C4'-P energy: -151.290
bonds (distance) P-C4' energy: -156.472
flat angles C4'-P-C4' energy: -167.850
flat angles P-C4'-P energy: -98.872
tors. eta vs tors. theta energy: -206.288
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2213.048916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.048916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.483428 (E_RNA)
where:
Base-Base interactions energy: -1485.044
where: short stacking energy: -652.416
Base-Backbone interact. energy: -1.355
local terms energy: -730.084384
where:
bonds (distance) C4'-P energy: -171.427
bonds (distance) P-C4' energy: -124.654
flat angles C4'-P-C4' energy: -156.081
flat angles P-C4'-P energy: -93.525
tors. eta vs tors. theta energy: -184.397
Dist. restrs. and SS energy: 3.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2110.057334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.372948 (E_RNA)
where:
Base-Base interactions energy: -1429.407
where: short stacking energy: -614.545
Base-Backbone interact. energy: -1.928
local terms energy: -681.038432
where:
bonds (distance) C4'-P energy: -126.222
bonds (distance) P-C4' energy: -129.499
flat angles C4'-P-C4' energy: -160.670
flat angles P-C4'-P energy: -97.145
tors. eta vs tors. theta energy: -167.502
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1993.826865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.826865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.207012 (E_RNA)
where:
Base-Base interactions energy: -1319.666
where: short stacking energy: -561.731
Base-Backbone interact. energy: -1.174
local terms energy: -675.366769
where:
bonds (distance) C4'-P energy: -151.154
bonds (distance) P-C4' energy: -129.312
flat angles C4'-P-C4' energy: -150.905
flat angles P-C4'-P energy: -84.247
tors. eta vs tors. theta energy: -159.749
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1966.725891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.725891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.500166 (E_RNA)
where:
Base-Base interactions energy: -1346.210
where: short stacking energy: -587.346
Base-Backbone interact. energy: 0.868
local terms energy: -625.158825
where:
bonds (distance) C4'-P energy: -107.650
bonds (distance) P-C4' energy: -129.284
flat angles C4'-P-C4' energy: -162.381
flat angles P-C4'-P energy: -73.326
tors. eta vs tors. theta energy: -152.518
Dist. restrs. and SS energy: 3.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1871.035037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.035037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.697375 (E_RNA)
where:
Base-Base interactions energy: -1306.566
where: short stacking energy: -535.611
Base-Backbone interact. energy: -4.428
local terms energy: -562.704326
where:
bonds (distance) C4'-P energy: -84.439
bonds (distance) P-C4' energy: -108.629
flat angles C4'-P-C4' energy: -140.364
flat angles P-C4'-P energy: -91.572
tors. eta vs tors. theta energy: -137.700
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2893.110164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.110164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.421185 (E_RNA)
where:
Base-Base interactions energy: -2041.706
where: short stacking energy: -834.327
Base-Backbone interact. energy: 2.316
local terms energy: -855.031694
where:
bonds (distance) C4'-P energy: -154.342
bonds (distance) P-C4' energy: -157.639
flat angles C4'-P-C4' energy: -174.330
flat angles P-C4'-P energy: -123.780
tors. eta vs tors. theta energy: -244.941
Dist. restrs. and SS energy: 1.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2756.912804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.912804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.136065 (E_RNA)
where:
Base-Base interactions energy: -1945.694
where: short stacking energy: -815.778
Base-Backbone interact. energy: -1.868
local terms energy: -811.574113
where:
bonds (distance) C4'-P energy: -141.130
bonds (distance) P-C4' energy: -147.403
flat angles C4'-P-C4' energy: -168.356
flat angles P-C4'-P energy: -119.786
tors. eta vs tors. theta energy: -234.900
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2667.710009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.710009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.250786 (E_RNA)
where:
Base-Base interactions energy: -1871.937
where: short stacking energy: -768.058
Base-Backbone interact. energy: -2.740
local terms energy: -794.573288
where:
bonds (distance) C4'-P energy: -139.381
bonds (distance) P-C4' energy: -160.482
flat angles C4'-P-C4' energy: -169.440
flat angles P-C4'-P energy: -111.768
tors. eta vs tors. theta energy: -213.503
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2501.758835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.758835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.730320 (E_RNA)
where:
Base-Base interactions energy: -1690.504
where: short stacking energy: -736.103
Base-Backbone interact. energy: -0.302
local terms energy: -812.924190
where:
bonds (distance) C4'-P energy: -153.369
bonds (distance) P-C4' energy: -163.976
flat angles C4'-P-C4' energy: -175.372
flat angles P-C4'-P energy: -116.399
tors. eta vs tors. theta energy: -203.809
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2358.288206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.288206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.210040 (E_RNA)
where:
Base-Base interactions energy: -1618.613
where: short stacking energy: -672.588
Base-Backbone interact. energy: -1.751
local terms energy: -739.845817
where:
bonds (distance) C4'-P energy: -148.375
bonds (distance) P-C4' energy: -138.470
flat angles C4'-P-C4' energy: -162.013
flat angles P-C4'-P energy: -113.630
tors. eta vs tors. theta energy: -177.358
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: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2176.712869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.712869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.311906 (E_RNA)
where:
Base-Base interactions energy: -1480.770
where: short stacking energy: -642.504
Base-Backbone interact. energy: -1.276
local terms energy: -698.266256
where:
bonds (distance) C4'-P energy: -146.934
bonds (distance) P-C4' energy: -141.826
flat angles C4'-P-C4' energy: -161.235
flat angles P-C4'-P energy: -96.580
tors. eta vs tors. theta energy: -151.691
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: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2121.437176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.437176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.972545 (E_RNA)
where:
Base-Base interactions energy: -1447.895
where: short stacking energy: -598.215
Base-Backbone interact. energy: 0.090
local terms energy: -675.167887
where:
bonds (distance) C4'-P energy: -141.492
bonds (distance) P-C4' energy: -148.270
flat angles C4'-P-C4' energy: -153.482
flat angles P-C4'-P energy: -70.944
tors. eta vs tors. theta energy: -160.981
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: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2003.148445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.148445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.881094 (E_RNA)
where:
Base-Base interactions energy: -1309.842
where: short stacking energy: -542.810
Base-Backbone interact. energy: -0.883
local terms energy: -695.155651
where:
bonds (distance) C4'-P energy: -159.012
bonds (distance) P-C4' energy: -142.407
flat angles C4'-P-C4' energy: -164.206
flat angles P-C4'-P energy: -95.313
tors. eta vs tors. theta energy: -134.217
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: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1985.799292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.799292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.339789 (E_RNA)
where:
Base-Base interactions energy: -1352.343
where: short stacking energy: -592.288
Base-Backbone interact. energy: 2.662
local terms energy: -644.659177
where:
bonds (distance) C4'-P energy: -129.114
bonds (distance) P-C4' energy: -136.690
flat angles C4'-P-C4' energy: -123.502
flat angles P-C4'-P energy: -83.283
tors. eta vs tors. theta energy: -172.070
Dist. restrs. and SS energy: 8.540 (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: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1834.362486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.362486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.480899 (E_RNA)
where:
Base-Base interactions energy: -1246.961
where: short stacking energy: -512.640
Base-Backbone interact. energy: 0.793
local terms energy: -592.312608
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -135.405
flat angles C4'-P-C4' energy: -137.387
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -123.738
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: 415
Temperature: 0.900000
Total energy: -2877.282556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.282556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.551649 (E_RNA)
where:
Base-Base interactions energy: -2007.089
where: short stacking energy: -824.262
Base-Backbone interact. energy: -3.178
local terms energy: -868.284280
where:
bonds (distance) C4'-P energy: -161.495
bonds (distance) P-C4' energy: -154.221
flat angles C4'-P-C4' energy: -185.941
flat angles P-C4'-P energy: -123.295
tors. eta vs tors. theta energy: -243.332
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2809.337258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.337258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.413851 (E_RNA)
where:
Base-Base interactions energy: -1933.457
where: short stacking energy: -817.995
Base-Backbone interact. energy: -0.023
local terms energy: -877.933885
where:
bonds (distance) C4'-P energy: -166.766
bonds (distance) P-C4' energy: -163.148
flat angles C4'-P-C4' energy: -184.838
flat angles P-C4'-P energy: -127.253
tors. eta vs tors. theta energy: -235.929
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2698.906987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.906987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.059130 (E_RNA)
where:
Base-Base interactions energy: -1890.416
where: short stacking energy: -785.426
Base-Backbone interact. energy: -2.346
local terms energy: -809.296594
where:
bonds (distance) C4'-P energy: -138.453
bonds (distance) P-C4' energy: -168.622
flat angles C4'-P-C4' energy: -176.837
flat angles P-C4'-P energy: -109.863
tors. eta vs tors. theta energy: -215.520
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2521.657903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.657903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.151844 (E_RNA)
where:
Base-Base interactions energy: -1725.391
where: short stacking energy: -720.095
Base-Backbone interact. energy: -3.351
local terms energy: -794.409762
where:
bonds (distance) C4'-P energy: -138.785
bonds (distance) P-C4' energy: -152.417
flat angles C4'-P-C4' energy: -178.782
flat angles P-C4'-P energy: -105.330
tors. eta vs tors. theta energy: -219.095
Dist. restrs. and SS energy: 1.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2335.337211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.337211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.704183 (E_RNA)
where:
Base-Base interactions energy: -1595.369
where: short stacking energy: -705.206
Base-Backbone interact. energy: -1.858
local terms energy: -740.477651
where:
bonds (distance) C4'-P energy: -125.794
bonds (distance) P-C4' energy: -134.711
flat angles C4'-P-C4' energy: -167.393
flat angles P-C4'-P energy: -123.350
tors. eta vs tors. theta energy: -189.230
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2173.194800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.367386 (E_RNA)
where:
Base-Base interactions energy: -1484.274
where: short stacking energy: -647.757
Base-Backbone interact. energy: 0.426
local terms energy: -691.519328
where:
bonds (distance) C4'-P energy: -140.438
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -154.117
flat angles P-C4'-P energy: -89.875
tors. eta vs tors. theta energy: -177.580
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: 415
Temperature: 1.200000
Total energy: -2079.624407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.624407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.521009 (E_RNA)
where:
Base-Base interactions energy: -1411.019
where: short stacking energy: -609.701
Base-Backbone interact. energy: -1.876
local terms energy: -668.626188
where:
bonds (distance) C4'-P energy: -134.693
bonds (distance) P-C4' energy: -133.551
flat angles C4'-P-C4' energy: -148.324
flat angles P-C4'-P energy: -93.142
tors. eta vs tors. theta energy: -158.916
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: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2002.140766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.140766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.733842 (E_RNA)
where:
Base-Base interactions energy: -1359.751
where: short stacking energy: -563.397
Base-Backbone interact. energy: 2.746
local terms energy: -646.728797
where:
bonds (distance) C4'-P energy: -128.854
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -148.491
flat angles P-C4'-P energy: -98.518
tors. eta vs tors. theta energy: -136.297
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: 9, replica: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1927.045774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.045774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.460439 (E_RNA)
where:
Base-Base interactions energy: -1319.135
where: short stacking energy: -531.755
Base-Backbone interact. energy: 1.484
local terms energy: -618.809639
where:
bonds (distance) C4'-P energy: -123.956
bonds (distance) P-C4' energy: -118.462
flat angles C4'-P-C4' energy: -149.742
flat angles P-C4'-P energy: -85.658
tors. eta vs tors. theta energy: -140.991
Dist. restrs. and SS energy: 9.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1876.261869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.261869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.136603 (E_RNA)
where:
Base-Base interactions energy: -1274.877
where: short stacking energy: -518.430
Base-Backbone interact. energy: 0.439
local terms energy: -605.698410
where:
bonds (distance) C4'-P energy: -122.751
bonds (distance) P-C4' energy: -124.861
flat angles C4'-P-C4' energy: -144.922
flat angles P-C4'-P energy: -90.624
tors. eta vs tors. theta energy: -122.540
Dist. restrs. and SS energy: 3.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2857.913112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.913112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.933017 (E_RNA)
where:
Base-Base interactions energy: -1996.247
where: short stacking energy: -816.596
Base-Backbone interact. energy: -2.631
local terms energy: -861.055018
where:
bonds (distance) C4'-P energy: -161.145
bonds (distance) P-C4' energy: -163.120
flat angles C4'-P-C4' energy: -180.066
flat angles P-C4'-P energy: -121.948
tors. eta vs tors. theta energy: -234.776
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: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2857.923983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.923983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.308062 (E_RNA)
where:
Base-Base interactions energy: -1998.949
where: short stacking energy: -839.705
Base-Backbone interact. energy: 0.654
local terms energy: -862.013326
where:
bonds (distance) C4'-P energy: -142.239
bonds (distance) P-C4' energy: -164.212
flat angles C4'-P-C4' energy: -182.004
flat angles P-C4'-P energy: -121.298
tors. eta vs tors. theta energy: -252.260
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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2709.570273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.570273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.796642 (E_RNA)
where:
Base-Base interactions energy: -1854.861
where: short stacking energy: -753.515
Base-Backbone interact. energy: -2.234
local terms energy: -854.701093
where:
bonds (distance) C4'-P energy: -137.931
bonds (distance) P-C4' energy: -167.655
flat angles C4'-P-C4' energy: -192.200
flat angles P-C4'-P energy: -125.926
tors. eta vs tors. theta energy: -230.990
Dist. restrs. and SS energy: 2.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2586.811590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.811590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.159901 (E_RNA)
where:
Base-Base interactions energy: -1767.196
where: short stacking energy: -736.644
Base-Backbone interact. energy: -2.245
local terms energy: -819.718965
where:
bonds (distance) C4'-P energy: -154.875
bonds (distance) P-C4' energy: -145.305
flat angles C4'-P-C4' energy: -175.178
flat angles P-C4'-P energy: -119.887
tors. eta vs tors. theta energy: -224.474
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2326.323080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.323080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.207826 (E_RNA)
where:
Base-Base interactions energy: -1581.398
where: short stacking energy: -687.614
Base-Backbone interact. energy: -1.097
local terms energy: -745.712161
where:
bonds (distance) C4'-P energy: -131.182
bonds (distance) P-C4' energy: -140.642
flat angles C4'-P-C4' energy: -176.482
flat angles P-C4'-P energy: -104.964
tors. eta vs tors. theta energy: -192.442
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2162.129396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.129396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.780300 (E_RNA)
where:
Base-Base interactions energy: -1443.639
where: short stacking energy: -638.501
Base-Backbone interact. energy: -3.522
local terms energy: -717.619156
where:
bonds (distance) C4'-P energy: -133.301
bonds (distance) P-C4' energy: -149.283
flat angles C4'-P-C4' energy: -157.660
flat angles P-C4'-P energy: -91.119
tors. eta vs tors. theta energy: -186.256
Dist. restrs. and SS energy: 2.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2096.814756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.814756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.096449 (E_RNA)
where:
Base-Base interactions energy: -1411.252
where: short stacking energy: -615.750
Base-Backbone interact. energy: 0.814
local terms energy: -689.658075
where:
bonds (distance) C4'-P energy: -142.346
bonds (distance) P-C4' energy: -149.298
flat angles C4'-P-C4' energy: -146.599
flat angles P-C4'-P energy: -91.722
tors. eta vs tors. theta energy: -159.693
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1983.687840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.687840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.039508 (E_RNA)
where:
Base-Base interactions energy: -1336.553
where: short stacking energy: -562.741
Base-Backbone interact. energy: -2.680
local terms energy: -646.807165
where:
bonds (distance) C4'-P energy: -131.904
bonds (distance) P-C4' energy: -139.562
flat angles C4'-P-C4' energy: -150.660
flat angles P-C4'-P energy: -73.341
tors. eta vs tors. theta energy: -151.340
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: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1977.998119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.998119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.070200 (E_RNA)
where:
Base-Base interactions energy: -1318.517
where: short stacking energy: -548.367
Base-Backbone interact. energy: -1.451
local terms energy: -660.102247
where:
bonds (distance) C4'-P energy: -136.053
bonds (distance) P-C4' energy: -146.919
flat angles C4'-P-C4' energy: -143.123
flat angles P-C4'-P energy: -99.474
tors. eta vs tors. theta energy: -134.534
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1843.309526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.309526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.963609 (E_RNA)
where:
Base-Base interactions energy: -1254.814
where: short stacking energy: -523.408
Base-Backbone interact. energy: 2.577
local terms energy: -595.726257
where:
bonds (distance) C4'-P energy: -94.554
bonds (distance) P-C4' energy: -126.628
flat angles C4'-P-C4' energy: -147.034
flat angles P-C4'-P energy: -98.678
tors. eta vs tors. theta energy: -128.832
Dist. restrs. and SS energy: 4.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2897.694148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.694148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.729235 (E_RNA)
where:
Base-Base interactions energy: -2035.976
where: short stacking energy: -855.045
Base-Backbone interact. energy: -3.313
local terms energy: -860.440051
where:
bonds (distance) C4'-P energy: -148.852
bonds (distance) P-C4' energy: -159.150
flat angles C4'-P-C4' energy: -180.386
flat angles P-C4'-P energy: -123.401
tors. eta vs tors. theta energy: -248.651
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: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2844.182051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.182051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.906007 (E_RNA)
where:
Base-Base interactions energy: -1990.887
where: short stacking energy: -826.986
Base-Backbone interact. energy: 0.016
local terms energy: -856.035662
where:
bonds (distance) C4'-P energy: -161.743
bonds (distance) P-C4' energy: -159.825
flat angles C4'-P-C4' energy: -181.225
flat angles P-C4'-P energy: -112.211
tors. eta vs tors. theta energy: -241.031
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2693.677079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.677079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.765735 (E_RNA)
where:
Base-Base interactions energy: -1886.031
where: short stacking energy: -768.151
Base-Backbone interact. energy: -2.551
local terms energy: -806.184123
where:
bonds (distance) C4'-P energy: -148.968
bonds (distance) P-C4' energy: -146.790
flat angles C4'-P-C4' energy: -168.313
flat angles P-C4'-P energy: -123.079
tors. eta vs tors. theta energy: -219.034
Dist. restrs. and SS energy: 1.089 (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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2547.039186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.039186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.004561 (E_RNA)
where:
Base-Base interactions energy: -1757.628
where: short stacking energy: -748.168
Base-Backbone interact. energy: -1.694
local terms energy: -789.682608
where:
bonds (distance) C4'-P energy: -146.937
bonds (distance) P-C4' energy: -136.866
flat angles C4'-P-C4' energy: -169.681
flat angles P-C4'-P energy: -111.646
tors. eta vs tors. theta energy: -224.552
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: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2412.455378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.455378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.373883 (E_RNA)
where:
Base-Base interactions energy: -1669.911
where: short stacking energy: -694.284
Base-Backbone interact. energy: -1.013
local terms energy: -744.449643
where:
bonds (distance) C4'-P energy: -143.113
bonds (distance) P-C4' energy: -149.676
flat angles C4'-P-C4' energy: -156.497
flat angles P-C4'-P energy: -110.706
tors. eta vs tors. theta energy: -184.458
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2147.321767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.321767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.233364 (E_RNA)
where:
Base-Base interactions energy: -1466.192
where: short stacking energy: -660.755
Base-Backbone interact. energy: -2.564
local terms energy: -682.476901
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -139.649
flat angles C4'-P-C4' energy: -154.034
flat angles P-C4'-P energy: -102.822
tors. eta vs tors. theta energy: -170.284
Dist. restrs. and SS energy: 3.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2111.058046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.058046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.247754 (E_RNA)
where:
Base-Base interactions energy: -1415.179
where: short stacking energy: -627.881
Base-Backbone interact. energy: 0.399
local terms energy: -698.467445
where:
bonds (distance) C4'-P energy: -136.584
bonds (distance) P-C4' energy: -136.984
flat angles C4'-P-C4' energy: -145.432
flat angles P-C4'-P energy: -106.889
tors. eta vs tors. theta energy: -172.578
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: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -2001.761445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.761445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.779229 (E_RNA)
where:
Base-Base interactions energy: -1345.326
where: short stacking energy: -577.190
Base-Backbone interact. energy: -0.509
local terms energy: -661.943398
where:
bonds (distance) C4'-P energy: -124.950
bonds (distance) P-C4' energy: -143.922
flat angles C4'-P-C4' energy: -148.028
flat angles P-C4'-P energy: -104.032
tors. eta vs tors. theta energy: -141.012
Dist. restrs. and SS energy: 6.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1938.284633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.284633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.033304 (E_RNA)
where:
Base-Base interactions energy: -1342.443
where: short stacking energy: -566.140
Base-Backbone interact. energy: 3.108
local terms energy: -601.698588
where:
bonds (distance) C4'-P energy: -109.042
bonds (distance) P-C4' energy: -113.714
flat angles C4'-P-C4' energy: -153.586
flat angles P-C4'-P energy: -76.924
tors. eta vs tors. theta energy: -148.433
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1845.615040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.615040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.856176 (E_RNA)
where:
Base-Base interactions energy: -1254.454
where: short stacking energy: -498.765
Base-Backbone interact. energy: -1.466
local terms energy: -593.936726
where:
bonds (distance) C4'-P energy: -112.230
bonds (distance) P-C4' energy: -126.555
flat angles C4'-P-C4' energy: -121.195
flat angles P-C4'-P energy: -92.912
tors. eta vs tors. theta energy: -141.044
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2888.259662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.259662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.545536 (E_RNA)
where:
Base-Base interactions energy: -2007.921
where: short stacking energy: -819.124
Base-Backbone interact. energy: -2.890
local terms energy: -878.734382
where:
bonds (distance) C4'-P energy: -175.913
bonds (distance) P-C4' energy: -162.758
flat angles C4'-P-C4' energy: -189.523
flat angles P-C4'-P energy: -110.932
tors. eta vs tors. theta energy: -239.609
Dist. restrs. and SS energy: 1.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2815.455246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.455246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.270589 (E_RNA)
where:
Base-Base interactions energy: -1969.701
where: short stacking energy: -782.711
Base-Backbone interact. energy: -1.613
local terms energy: -845.956702
where:
bonds (distance) C4'-P energy: -144.989
bonds (distance) P-C4' energy: -158.107
flat angles C4'-P-C4' energy: -184.188
flat angles P-C4'-P energy: -128.409
tors. eta vs tors. theta energy: -230.264
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: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2746.764088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.764088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.869434 (E_RNA)
where:
Base-Base interactions energy: -1911.159
where: short stacking energy: -797.290
Base-Backbone interact. energy: -5.649
local terms energy: -831.061074
where:
bonds (distance) C4'-P energy: -153.955
bonds (distance) P-C4' energy: -140.459
flat angles C4'-P-C4' energy: -188.112
flat angles P-C4'-P energy: -115.107
tors. eta vs tors. theta energy: -233.429
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2537.177790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.177790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.447478 (E_RNA)
where:
Base-Base interactions energy: -1721.096
where: short stacking energy: -720.267
Base-Backbone interact. energy: -0.387
local terms energy: -816.964920
where:
bonds (distance) C4'-P energy: -154.519
bonds (distance) P-C4' energy: -156.889
flat angles C4'-P-C4' energy: -179.090
flat angles P-C4'-P energy: -110.490
tors. eta vs tors. theta energy: -215.978
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: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2384.748215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.748215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.171851 (E_RNA)
where:
Base-Base interactions energy: -1629.017
where: short stacking energy: -674.455
Base-Backbone interact. energy: 1.148
local terms energy: -760.302521
where:
bonds (distance) C4'-P energy: -154.296
bonds (distance) P-C4' energy: -134.808
flat angles C4'-P-C4' energy: -168.238
flat angles P-C4'-P energy: -115.906
tors. eta vs tors. theta energy: -187.055
Dist. restrs. and SS energy: 3.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2205.187642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.187642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.231461 (E_RNA)
where:
Base-Base interactions energy: -1493.172
where: short stacking energy: -645.395
Base-Backbone interact. energy: -0.231
local terms energy: -714.828117
where:
bonds (distance) C4'-P energy: -144.093
bonds (distance) P-C4' energy: -136.526
flat angles C4'-P-C4' energy: -153.644
flat angles P-C4'-P energy: -103.975
tors. eta vs tors. theta energy: -176.589
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2077.853921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.853921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.719808 (E_RNA)
where:
Base-Base interactions energy: -1404.294
where: short stacking energy: -580.816
Base-Backbone interact. energy: -3.308
local terms energy: -672.117027
where:
bonds (distance) C4'-P energy: -126.831
bonds (distance) P-C4' energy: -143.115
flat angles C4'-P-C4' energy: -138.372
flat angles P-C4'-P energy: -104.099
tors. eta vs tors. theta energy: -159.700
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: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1960.722948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.722948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.567179 (E_RNA)
where:
Base-Base interactions energy: -1310.410
where: short stacking energy: -550.384
Base-Backbone interact. energy: -4.174
local terms energy: -648.983226
where:
bonds (distance) C4'-P energy: -119.787
bonds (distance) P-C4' energy: -143.434
flat angles C4'-P-C4' energy: -143.306
flat angles P-C4'-P energy: -107.124
tors. eta vs tors. theta energy: -135.332
Dist. restrs. and SS energy: 2.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1940.965040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.965040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.144866 (E_RNA)
where:
Base-Base interactions energy: -1341.244
where: short stacking energy: -536.491
Base-Backbone interact. energy: -5.786
local terms energy: -596.114718
where:
bonds (distance) C4'-P energy: -136.480
bonds (distance) P-C4' energy: -120.941
flat angles C4'-P-C4' energy: -132.365
flat angles P-C4'-P energy: -81.486
tors. eta vs tors. theta energy: -124.843
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1811.976123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.976123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.903186 (E_RNA)
where:
Base-Base interactions energy: -1219.872
where: short stacking energy: -517.339
Base-Backbone interact. energy: 5.130
local terms energy: -600.161417
where:
bonds (distance) C4'-P energy: -126.913
bonds (distance) P-C4' energy: -125.141
flat angles C4'-P-C4' energy: -141.565
flat angles P-C4'-P energy: -82.850
tors. eta vs tors. theta energy: -123.692
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: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2898.623382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.623382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.645821 (E_RNA)
where:
Base-Base interactions energy: -2019.525
where: short stacking energy: -828.646
Base-Backbone interact. energy: -1.375
local terms energy: -879.745948
where:
bonds (distance) C4'-P energy: -162.768
bonds (distance) P-C4' energy: -164.738
flat angles C4'-P-C4' energy: -183.994
flat angles P-C4'-P energy: -116.836
tors. eta vs tors. theta energy: -251.410
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: 1
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2815.196180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.196180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.932072 (E_RNA)
where:
Base-Base interactions energy: -1977.193
where: short stacking energy: -822.221
Base-Backbone interact. energy: -1.477
local terms energy: -838.261460
where:
bonds (distance) C4'-P energy: -157.214
bonds (distance) P-C4' energy: -152.643
flat angles C4'-P-C4' energy: -178.583
flat angles P-C4'-P energy: -118.620
tors. eta vs tors. theta energy: -231.202
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2742.322236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.322236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.532723 (E_RNA)
where:
Base-Base interactions energy: -1905.520
where: short stacking energy: -767.860
Base-Backbone interact. energy: -4.930
local terms energy: -834.082297
where:
bonds (distance) C4'-P energy: -143.755
bonds (distance) P-C4' energy: -166.693
flat angles C4'-P-C4' energy: -176.099
flat angles P-C4'-P energy: -116.941
tors. eta vs tors. theta energy: -230.595
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2571.860976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.860976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.251091 (E_RNA)
where:
Base-Base interactions energy: -1785.112
where: short stacking energy: -743.608
Base-Backbone interact. energy: 1.569
local terms energy: -791.707907
where:
bonds (distance) C4'-P energy: -154.963
bonds (distance) P-C4' energy: -146.464
flat angles C4'-P-C4' energy: -178.770
flat angles P-C4'-P energy: -94.029
tors. eta vs tors. theta energy: -217.482
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2381.956671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.956671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.731224 (E_RNA)
where:
Base-Base interactions energy: -1616.383
where: short stacking energy: -687.533
Base-Backbone interact. energy: -2.049
local terms energy: -765.299431
where:
bonds (distance) C4'-P energy: -148.921
bonds (distance) P-C4' energy: -150.313
flat angles C4'-P-C4' energy: -168.898
flat angles P-C4'-P energy: -112.517
tors. eta vs tors. theta energy: -184.651
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2224.370515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.370515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.726150 (E_RNA)
where:
Base-Base interactions energy: -1490.763
where: short stacking energy: -674.261
Base-Backbone interact. energy: -1.241
local terms energy: -734.721393
where:
bonds (distance) C4'-P energy: -141.006
bonds (distance) P-C4' energy: -138.948
flat angles C4'-P-C4' energy: -174.029
flat angles P-C4'-P energy: -103.019
tors. eta vs tors. theta energy: -177.720
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2128.346901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.346901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.928741 (E_RNA)
where:
Base-Base interactions energy: -1426.853
where: short stacking energy: -612.797
Base-Backbone interact. energy: 0.038
local terms energy: -704.113197
where:
bonds (distance) C4'-P energy: -138.674
bonds (distance) P-C4' energy: -116.460
flat angles C4'-P-C4' energy: -169.127
flat angles P-C4'-P energy: -107.193
tors. eta vs tors. theta energy: -172.659
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: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2042.703855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.703855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.579544 (E_RNA)
where:
Base-Base interactions energy: -1367.725
where: short stacking energy: -576.221
Base-Backbone interact. energy: 0.548
local terms energy: -680.402534
where:
bonds (distance) C4'-P energy: -123.768
bonds (distance) P-C4' energy: -145.148
flat angles C4'-P-C4' energy: -146.370
flat angles P-C4'-P energy: -104.857
tors. eta vs tors. theta energy: -160.260
Dist. restrs. and SS energy: 4.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1940.256448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.256448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.319272 (E_RNA)
where:
Base-Base interactions energy: -1336.342
where: short stacking energy: -582.629
Base-Backbone interact. energy: -0.027
local terms energy: -606.950412
where:
bonds (distance) C4'-P energy: -119.337
bonds (distance) P-C4' energy: -135.245
flat angles C4'-P-C4' energy: -137.421
flat angles P-C4'-P energy: -87.780
tors. eta vs tors. theta energy: -127.168
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: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1828.957139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.957139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.591188 (E_RNA)
where:
Base-Base interactions energy: -1240.352
where: short stacking energy: -524.623
Base-Backbone interact. energy: -2.169
local terms energy: -590.070209
where:
bonds (distance) C4'-P energy: -137.305
bonds (distance) P-C4' energy: -139.778
flat angles C4'-P-C4' energy: -127.295
flat angles P-C4'-P energy: -69.011
tors. eta vs tors. theta energy: -116.682
Dist. restrs. and SS energy: 3.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2940.380915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.380915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.962043 (E_RNA)
where:
Base-Base interactions energy: -2060.459
where: short stacking energy: -860.357
Base-Backbone interact. energy: -4.868
local terms energy: -877.635757
where:
bonds (distance) C4'-P energy: -165.643
bonds (distance) P-C4' energy: -157.494
flat angles C4'-P-C4' energy: -187.963
flat angles P-C4'-P energy: -120.943
tors. eta vs tors. theta energy: -245.593
Dist. restrs. and SS energy: 2.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2843.133526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.133526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.431509 (E_RNA)
where:
Base-Base interactions energy: -1976.906
where: short stacking energy: -813.850
Base-Backbone interact. energy: -2.009
local terms energy: -865.515760
where:
bonds (distance) C4'-P energy: -159.149
bonds (distance) P-C4' energy: -158.614
flat angles C4'-P-C4' energy: -201.032
flat angles P-C4'-P energy: -111.021
tors. eta vs tors. theta energy: -235.699
Dist. restrs. and SS energy: 1.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2728.072055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.072055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.816062 (E_RNA)
where:
Base-Base interactions energy: -1894.222
where: short stacking energy: -783.514
Base-Backbone interact. energy: -5.757
local terms energy: -830.837249
where:
bonds (distance) C4'-P energy: -146.497
bonds (distance) P-C4' energy: -161.426
flat angles C4'-P-C4' energy: -167.515
flat angles P-C4'-P energy: -126.860
tors. eta vs tors. theta energy: -228.539
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2596.675027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.675027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.242950 (E_RNA)
where:
Base-Base interactions energy: -1774.322
where: short stacking energy: -744.193
Base-Backbone interact. energy: 6.709
local terms energy: -830.630210
where:
bonds (distance) C4'-P energy: -145.952
bonds (distance) P-C4' energy: -142.843
flat angles C4'-P-C4' energy: -181.535
flat angles P-C4'-P energy: -131.018
tors. eta vs tors. theta energy: -229.282
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2383.176480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.176480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.859596 (E_RNA)
where:
Base-Base interactions energy: -1632.395
where: short stacking energy: -703.216
Base-Backbone interact. energy: 3.948
local terms energy: -757.412621
where:
bonds (distance) C4'-P energy: -145.699
bonds (distance) P-C4' energy: -151.277
flat angles C4'-P-C4' energy: -160.878
flat angles P-C4'-P energy: -104.690
tors. eta vs tors. theta energy: -194.870
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2240.376936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.376936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.543796 (E_RNA)
where:
Base-Base interactions energy: -1524.825
where: short stacking energy: -667.911
Base-Backbone interact. energy: 8.666
local terms energy: -726.385442
where:
bonds (distance) C4'-P energy: -132.307
bonds (distance) P-C4' energy: -124.585
flat angles C4'-P-C4' energy: -175.969
flat angles P-C4'-P energy: -114.487
tors. eta vs tors. theta energy: -179.036
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: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2107.776378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.776378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.165799 (E_RNA)
where:
Base-Base interactions energy: -1403.876
where: short stacking energy: -637.288
Base-Backbone interact. energy: 0.555
local terms energy: -706.845084
where:
bonds (distance) C4'-P energy: -121.851
bonds (distance) P-C4' energy: -131.688
flat angles C4'-P-C4' energy: -164.148
flat angles P-C4'-P energy: -117.177
tors. eta vs tors. theta energy: -171.980
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2031.045710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.045710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.526848 (E_RNA)
where:
Base-Base interactions energy: -1388.357
where: short stacking energy: -601.492
Base-Backbone interact. energy: 5.016
local terms energy: -651.185290
where:
bonds (distance) C4'-P energy: -118.020
bonds (distance) P-C4' energy: -130.660
flat angles C4'-P-C4' energy: -156.356
flat angles P-C4'-P energy: -98.800
tors. eta vs tors. theta energy: -147.348
Dist. restrs. and SS energy: 3.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1922.420686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.420686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.938710 (E_RNA)
where:
Base-Base interactions energy: -1309.881
where: short stacking energy: -517.353
Base-Backbone interact. energy: 0.277
local terms energy: -615.334943
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -157.625
flat angles C4'-P-C4' energy: -148.508
flat angles P-C4'-P energy: -86.022
tors. eta vs tors. theta energy: -123.496
Dist. restrs. and SS energy: 2.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1803.739320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.739320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.915065 (E_RNA)
where:
Base-Base interactions energy: -1239.180
where: short stacking energy: -502.327
Base-Backbone interact. energy: 1.881
local terms energy: -569.615947
where:
bonds (distance) C4'-P energy: -152.081
bonds (distance) P-C4' energy: -117.199
flat angles C4'-P-C4' energy: -130.216
flat angles P-C4'-P energy: -57.524
tors. eta vs tors. theta energy: -112.595
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: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2920.100587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.041687 (E_RNA)
where:
Base-Base interactions energy: -2036.100
where: short stacking energy: -851.001
Base-Backbone interact. energy: 4.090
local terms energy: -890.032107
where:
bonds (distance) C4'-P energy: -149.719
bonds (distance) P-C4' energy: -177.988
flat angles C4'-P-C4' energy: -188.203
flat angles P-C4'-P energy: -129.086
tors. eta vs tors. theta energy: -245.036
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: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2829.566189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.566189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.153886 (E_RNA)
where:
Base-Base interactions energy: -1976.054
where: short stacking energy: -811.614
Base-Backbone interact. energy: 2.373
local terms energy: -857.472257
where:
bonds (distance) C4'-P energy: -150.275
bonds (distance) P-C4' energy: -164.766
flat angles C4'-P-C4' energy: -175.105
flat angles P-C4'-P energy: -124.451
tors. eta vs tors. theta energy: -242.876
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: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2706.703763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.703763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.702921 (E_RNA)
where:
Base-Base interactions energy: -1871.643
where: short stacking energy: -765.570
Base-Backbone interact. energy: -1.122
local terms energy: -836.937332
where:
bonds (distance) C4'-P energy: -152.639
bonds (distance) P-C4' energy: -155.777
flat angles C4'-P-C4' energy: -185.762
flat angles P-C4'-P energy: -118.723
tors. eta vs tors. theta energy: -224.035
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: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2613.801041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.801041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.298402 (E_RNA)
where:
Base-Base interactions energy: -1805.976
where: short stacking energy: -761.063
Base-Backbone interact. energy: 0.052
local terms energy: -809.373952
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -160.668
flat angles C4'-P-C4' energy: -177.807
flat angles P-C4'-P energy: -116.215
tors. eta vs tors. theta energy: -225.946
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: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2387.071665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.071665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.409923 (E_RNA)
where:
Base-Base interactions energy: -1609.538
where: short stacking energy: -700.344
Base-Backbone interact. energy: -4.097
local terms energy: -775.775000
where:
bonds (distance) C4'-P energy: -148.367
bonds (distance) P-C4' energy: -138.093
flat angles C4'-P-C4' energy: -186.832
flat angles P-C4'-P energy: -98.659
tors. eta vs tors. theta energy: -203.824
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: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2198.000433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.000433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.998938 (E_RNA)
where:
Base-Base interactions energy: -1497.932
where: short stacking energy: -630.011
Base-Backbone interact. energy: -1.873
local terms energy: -700.194056
where:
bonds (distance) C4'-P energy: -152.044
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -153.748
flat angles P-C4'-P energy: -106.839
tors. eta vs tors. theta energy: -161.907
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2113.577382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.205372 (E_RNA)
where:
Base-Base interactions energy: -1440.846
where: short stacking energy: -610.753
Base-Backbone interact. energy: -0.731
local terms energy: -673.628291
where:
bonds (distance) C4'-P energy: -122.723
bonds (distance) P-C4' energy: -143.424
flat angles C4'-P-C4' energy: -147.141
flat angles P-C4'-P energy: -106.771
tors. eta vs tors. theta energy: -153.568
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2044.406703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.406703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.714915 (E_RNA)
where:
Base-Base interactions energy: -1387.896
where: short stacking energy: -599.061
Base-Backbone interact. energy: 5.520
local terms energy: -666.338834
where:
bonds (distance) C4'-P energy: -121.389
bonds (distance) P-C4' energy: -130.222
flat angles C4'-P-C4' energy: -155.232
flat angles P-C4'-P energy: -111.549
tors. eta vs tors. theta energy: -147.947
Dist. restrs. and SS energy: 4.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1902.305033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.305033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.890424 (E_RNA)
where:
Base-Base interactions energy: -1307.898
where: short stacking energy: -560.900
Base-Backbone interact. energy: -2.106
local terms energy: -594.886619
where:
bonds (distance) C4'-P energy: -125.703
bonds (distance) P-C4' energy: -133.176
flat angles C4'-P-C4' energy: -152.966
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -129.747
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: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1844.094366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.094366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.351881 (E_RNA)
where:
Base-Base interactions energy: -1243.129
where: short stacking energy: -509.041
Base-Backbone interact. energy: -1.062
local terms energy: -605.161633
where:
bonds (distance) C4'-P energy: -115.901
bonds (distance) P-C4' energy: -144.302
flat angles C4'-P-C4' energy: -150.808
flat angles P-C4'-P energy: -70.173
tors. eta vs tors. theta energy: -123.978
Dist. restrs. and SS energy: 5.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2918.276124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.276124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.756385 (E_RNA)
where:
Base-Base interactions energy: -2035.315
where: short stacking energy: -843.905
Base-Backbone interact. energy: -2.617
local terms energy: -882.824569
where:
bonds (distance) C4'-P energy: -161.635
bonds (distance) P-C4' energy: -163.284
flat angles C4'-P-C4' energy: -193.220
flat angles P-C4'-P energy: -117.943
tors. eta vs tors. theta energy: -246.743
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: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2825.706408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.706408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.334900 (E_RNA)
where:
Base-Base interactions energy: -1980.237
where: short stacking energy: -820.260
Base-Backbone interact. energy: -1.220
local terms energy: -845.877638
where:
bonds (distance) C4'-P energy: -151.544
bonds (distance) P-C4' energy: -162.502
flat angles C4'-P-C4' energy: -167.519
flat angles P-C4'-P energy: -125.822
tors. eta vs tors. theta energy: -238.490
Dist. restrs. and SS energy: 1.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2755.720033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.720033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.451831 (E_RNA)
where:
Base-Base interactions energy: -1930.133
where: short stacking energy: -762.852
Base-Backbone interact. energy: -4.142
local terms energy: -823.176639
where:
bonds (distance) C4'-P energy: -148.452
bonds (distance) P-C4' energy: -144.777
flat angles C4'-P-C4' energy: -172.050
flat angles P-C4'-P energy: -126.094
tors. eta vs tors. theta energy: -231.803
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: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2620.263855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.263855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.989500 (E_RNA)
where:
Base-Base interactions energy: -1804.553
where: short stacking energy: -740.966
Base-Backbone interact. energy: -3.751
local terms energy: -813.685198
where:
bonds (distance) C4'-P energy: -140.333
bonds (distance) P-C4' energy: -162.526
flat angles C4'-P-C4' energy: -175.246
flat angles P-C4'-P energy: -119.208
tors. eta vs tors. theta energy: -216.371
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2423.697932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.697932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.016211 (E_RNA)
where:
Base-Base interactions energy: -1663.799
where: short stacking energy: -714.830
Base-Backbone interact. energy: 3.868
local terms energy: -767.085137
where:
bonds (distance) C4'-P energy: -134.459
bonds (distance) P-C4' energy: -151.526
flat angles C4'-P-C4' energy: -166.346
flat angles P-C4'-P energy: -118.275
tors. eta vs tors. theta energy: -196.479
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: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2254.574072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.574072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.643203 (E_RNA)
where:
Base-Base interactions energy: -1516.573
where: short stacking energy: -641.287
Base-Backbone interact. energy: -1.262
local terms energy: -739.808447
where:
bonds (distance) C4'-P energy: -157.003
bonds (distance) P-C4' energy: -159.444
flat angles C4'-P-C4' energy: -142.432
flat angles P-C4'-P energy: -100.558
tors. eta vs tors. theta energy: -180.371
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2073.008845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.008845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.599421 (E_RNA)
where:
Base-Base interactions energy: -1393.407
where: short stacking energy: -605.761
Base-Backbone interact. energy: -0.143
local terms energy: -683.049460
where:
bonds (distance) C4'-P energy: -140.048
bonds (distance) P-C4' energy: -143.458
flat angles C4'-P-C4' energy: -154.499
flat angles P-C4'-P energy: -96.147
tors. eta vs tors. theta energy: -148.897
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: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2041.003642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.003642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.988889 (E_RNA)
where:
Base-Base interactions energy: -1376.337
where: short stacking energy: -591.847
Base-Backbone interact. energy: -3.882
local terms energy: -663.769974
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -140.309
flat angles C4'-P-C4' energy: -144.054
flat angles P-C4'-P energy: -92.180
tors. eta vs tors. theta energy: -162.064
Dist. restrs. and SS energy: 2.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1913.305118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.305118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.758165 (E_RNA)
where:
Base-Base interactions energy: -1300.270
where: short stacking energy: -524.881
Base-Backbone interact. energy: 2.375
local terms energy: -619.863144
where:
bonds (distance) C4'-P energy: -124.909
bonds (distance) P-C4' energy: -104.427
flat angles C4'-P-C4' energy: -161.885
flat angles P-C4'-P energy: -98.657
tors. eta vs tors. theta energy: -129.985
Dist. restrs. and SS energy: 4.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1844.786822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.786822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.816239 (E_RNA)
where:
Base-Base interactions energy: -1252.752
where: short stacking energy: -510.210
Base-Backbone interact. energy: -0.105
local terms energy: -596.959549
where:
bonds (distance) C4'-P energy: -135.370
bonds (distance) P-C4' energy: -119.340
flat angles C4'-P-C4' energy: -130.962
flat angles P-C4'-P energy: -82.409
tors. eta vs tors. theta energy: -128.879
Dist. restrs. and SS energy: 5.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2926.821793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.821793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.375554 (E_RNA)
where:
Base-Base interactions energy: -2051.974
where: short stacking energy: -837.258
Base-Backbone interact. energy: -5.689
local terms energy: -872.713122
where:
bonds (distance) C4'-P energy: -158.974
bonds (distance) P-C4' energy: -169.694
flat angles C4'-P-C4' energy: -177.260
flat angles P-C4'-P energy: -119.607
tors. eta vs tors. theta energy: -247.178
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2831.019737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.019737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.607373 (E_RNA)
where:
Base-Base interactions energy: -2005.366
where: short stacking energy: -840.346
Base-Backbone interact. energy: 8.408
local terms energy: -835.648732
where:
bonds (distance) C4'-P energy: -149.082
bonds (distance) P-C4' energy: -159.393
flat angles C4'-P-C4' energy: -170.222
flat angles P-C4'-P energy: -107.850
tors. eta vs tors. theta energy: -249.101
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: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2720.970874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.970874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.146093 (E_RNA)
where:
Base-Base interactions energy: -1890.992
where: short stacking energy: -774.938
Base-Backbone interact. energy: -3.663
local terms energy: -827.490380
where:
bonds (distance) C4'-P energy: -147.814
bonds (distance) P-C4' energy: -153.685
flat angles C4'-P-C4' energy: -192.016
flat angles P-C4'-P energy: -103.483
tors. eta vs tors. theta energy: -230.493
Dist. restrs. and SS energy: 1.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2599.374737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.374737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.119550 (E_RNA)
where:
Base-Base interactions energy: -1780.996
where: short stacking energy: -775.349
Base-Backbone interact. energy: -1.850
local terms energy: -818.273434
where:
bonds (distance) C4'-P energy: -166.834
bonds (distance) P-C4' energy: -153.496
flat angles C4'-P-C4' energy: -157.032
flat angles P-C4'-P energy: -117.695
tors. eta vs tors. theta energy: -223.216
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2430.110849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.110849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.040297 (E_RNA)
where:
Base-Base interactions energy: -1632.131
where: short stacking energy: -706.935
Base-Backbone interact. energy: -0.035
local terms energy: -799.874340
where:
bonds (distance) C4'-P energy: -146.743
bonds (distance) P-C4' energy: -135.258
flat angles C4'-P-C4' energy: -173.986
flat angles P-C4'-P energy: -134.970
tors. eta vs tors. theta energy: -208.917
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: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2286.663100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.663100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.197330 (E_RNA)
where:
Base-Base interactions energy: -1536.165
where: short stacking energy: -664.887
Base-Backbone interact. energy: -1.144
local terms energy: -752.888775
where:
bonds (distance) C4'-P energy: -135.011
bonds (distance) P-C4' energy: -160.949
flat angles C4'-P-C4' energy: -161.523
flat angles P-C4'-P energy: -100.197
tors. eta vs tors. theta energy: -195.209
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: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2118.950034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.950034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.008526 (E_RNA)
where:
Base-Base interactions energy: -1433.226
where: short stacking energy: -633.972
Base-Backbone interact. energy: 1.899
local terms energy: -689.681830
where:
bonds (distance) C4'-P energy: -132.720
bonds (distance) P-C4' energy: -129.878
flat angles C4'-P-C4' energy: -146.087
flat angles P-C4'-P energy: -101.290
tors. eta vs tors. theta energy: -179.707
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2034.311241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.311241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.689925 (E_RNA)
where:
Base-Base interactions energy: -1390.955
where: short stacking energy: -602.573
Base-Backbone interact. energy: -0.915
local terms energy: -644.819695
where:
bonds (distance) C4'-P energy: -127.019
bonds (distance) P-C4' energy: -129.350
flat angles C4'-P-C4' energy: -145.517
flat angles P-C4'-P energy: -88.280
tors. eta vs tors. theta energy: -154.654
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1963.123504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.123504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.647189 (E_RNA)
where:
Base-Base interactions energy: -1332.081
where: short stacking energy: -551.887
Base-Backbone interact. energy: 1.191
local terms energy: -634.757834
where:
bonds (distance) C4'-P energy: -141.265
bonds (distance) P-C4' energy: -137.424
flat angles C4'-P-C4' energy: -139.029
flat angles P-C4'-P energy: -88.834
tors. eta vs tors. theta energy: -128.206
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1851.144753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.144753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.322526 (E_RNA)
where:
Base-Base interactions energy: -1262.732
where: short stacking energy: -510.930
Base-Backbone interact. energy: -2.901
local terms energy: -587.689243
where:
bonds (distance) C4'-P energy: -134.898
bonds (distance) P-C4' energy: -108.966
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -83.926
tors. eta vs tors. theta energy: -127.005
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: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2913.145907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.145907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.593676 (E_RNA)
where:
Base-Base interactions energy: -2036.956
where: short stacking energy: -819.910
Base-Backbone interact. energy: 0.023
local terms energy: -877.660181
where:
bonds (distance) C4'-P energy: -161.482
bonds (distance) P-C4' energy: -166.198
flat angles C4'-P-C4' energy: -184.752
flat angles P-C4'-P energy: -121.356
tors. eta vs tors. theta energy: -243.873
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: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2828.242302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.725642 (E_RNA)
where:
Base-Base interactions energy: -1952.800
where: short stacking energy: -821.593
Base-Backbone interact. energy: -2.382
local terms energy: -874.544171
where:
bonds (distance) C4'-P energy: -159.751
bonds (distance) P-C4' energy: -157.855
flat angles C4'-P-C4' energy: -189.568
flat angles P-C4'-P energy: -116.605
tors. eta vs tors. theta energy: -250.766
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2729.178949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.178949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.885918 (E_RNA)
where:
Base-Base interactions energy: -1915.023
where: short stacking energy: -757.848
Base-Backbone interact. energy: -4.361
local terms energy: -811.502692
where:
bonds (distance) C4'-P energy: -145.066
bonds (distance) P-C4' energy: -152.472
flat angles C4'-P-C4' energy: -167.138
flat angles P-C4'-P energy: -112.585
tors. eta vs tors. theta energy: -234.241
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: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2665.804128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.804128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.434949 (E_RNA)
where:
Base-Base interactions energy: -1829.704
where: short stacking energy: -765.866
Base-Backbone interact. energy: 2.121
local terms energy: -840.851287
where:
bonds (distance) C4'-P energy: -143.113
bonds (distance) P-C4' energy: -155.757
flat angles C4'-P-C4' energy: -170.317
flat angles P-C4'-P energy: -136.787
tors. eta vs tors. theta energy: -234.877
Dist. restrs. and SS energy: 2.631 (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: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2396.313356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.313356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.466521 (E_RNA)
where:
Base-Base interactions energy: -1638.162
where: short stacking energy: -689.054
Base-Backbone interact. energy: -3.223
local terms energy: -757.081491
where:
bonds (distance) C4'-P energy: -144.175
bonds (distance) P-C4' energy: -141.909
flat angles C4'-P-C4' energy: -175.298
flat angles P-C4'-P energy: -100.181
tors. eta vs tors. theta energy: -195.519
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: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2204.692348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.692348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.436688 (E_RNA)
where:
Base-Base interactions energy: -1485.178
where: short stacking energy: -641.117
Base-Backbone interact. energy: -1.400
local terms energy: -720.859268
where:
bonds (distance) C4'-P energy: -135.480
bonds (distance) P-C4' energy: -144.122
flat angles C4'-P-C4' energy: -158.186
flat angles P-C4'-P energy: -101.363
tors. eta vs tors. theta energy: -181.708
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: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2048.571504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.571504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.192653 (E_RNA)
where:
Base-Base interactions energy: -1382.506
where: short stacking energy: -605.020
Base-Backbone interact. energy: 0.240
local terms energy: -667.926308
where:
bonds (distance) C4'-P energy: -125.086
bonds (distance) P-C4' energy: -136.285
flat angles C4'-P-C4' energy: -154.405
flat angles P-C4'-P energy: -107.100
tors. eta vs tors. theta energy: -145.050
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2007.401953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.401953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.228015 (E_RNA)
where:
Base-Base interactions energy: -1361.882
where: short stacking energy: -596.489
Base-Backbone interact. energy: -0.003
local terms energy: -649.343161
where:
bonds (distance) C4'-P energy: -141.035
bonds (distance) P-C4' energy: -129.751
flat angles C4'-P-C4' energy: -142.656
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -155.137
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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1907.751520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.751520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.296431 (E_RNA)
where:
Base-Base interactions energy: -1301.903
where: short stacking energy: -559.650
Base-Backbone interact. energy: 6.850
local terms energy: -616.243133
where:
bonds (distance) C4'-P energy: -125.580
bonds (distance) P-C4' energy: -143.728
flat angles C4'-P-C4' energy: -128.446
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -134.961
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: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1832.429199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.429199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.307961 (E_RNA)
where:
Base-Base interactions energy: -1283.429
where: short stacking energy: -498.067
Base-Backbone interact. energy: 1.547
local terms energy: -552.426010
where:
bonds (distance) C4'-P energy: -110.626
bonds (distance) P-C4' energy: -141.832
flat angles C4'-P-C4' energy: -125.205
flat angles P-C4'-P energy: -69.777
tors. eta vs tors. theta energy: -104.987
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: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2916.608726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.608726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.375051 (E_RNA)
where:
Base-Base interactions energy: -2011.834
where: short stacking energy: -832.678
Base-Backbone interact. energy: -6.809
local terms energy: -899.731749
where:
bonds (distance) C4'-P energy: -164.944
bonds (distance) P-C4' energy: -177.777
flat angles C4'-P-C4' energy: -190.084
flat angles P-C4'-P energy: -123.542
tors. eta vs tors. theta energy: -243.384
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2806.174778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.174778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.553850 (E_RNA)
where:
Base-Base interactions energy: -1950.893
where: short stacking energy: -814.069
Base-Backbone interact. energy: 3.333
local terms energy: -860.993602
where:
bonds (distance) C4'-P energy: -163.692
bonds (distance) P-C4' energy: -154.308
flat angles C4'-P-C4' energy: -178.946
flat angles P-C4'-P energy: -121.175
tors. eta vs tors. theta energy: -242.872
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: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2703.683846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.683846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.061120 (E_RNA)
where:
Base-Base interactions energy: -1899.480
where: short stacking energy: -754.148
Base-Backbone interact. energy: -1.265
local terms energy: -804.316759
where:
bonds (distance) C4'-P energy: -158.917
bonds (distance) P-C4' energy: -143.241
flat angles C4'-P-C4' energy: -179.767
flat angles P-C4'-P energy: -101.144
tors. eta vs tors. theta energy: -221.248
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2637.573777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.766629 (E_RNA)
where:
Base-Base interactions energy: -1842.178
where: short stacking energy: -744.360
Base-Backbone interact. energy: 0.995
local terms energy: -798.583501
where:
bonds (distance) C4'-P energy: -146.233
bonds (distance) P-C4' energy: -155.029
flat angles C4'-P-C4' energy: -162.209
flat angles P-C4'-P energy: -115.242
tors. eta vs tors. theta energy: -219.870
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: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2397.294929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.294929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.803858 (E_RNA)
where:
Base-Base interactions energy: -1658.375
where: short stacking energy: -687.220
Base-Backbone interact. energy: 6.949
local terms energy: -748.378134
where:
bonds (distance) C4'-P energy: -125.123
bonds (distance) P-C4' energy: -147.109
flat angles C4'-P-C4' energy: -165.636
flat angles P-C4'-P energy: -112.260
tors. eta vs tors. theta energy: -198.249
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2271.325183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.325183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.778735 (E_RNA)
where:
Base-Base interactions energy: -1542.763
where: short stacking energy: -665.527
Base-Backbone interact. energy: -0.324
local terms energy: -729.692110
where:
bonds (distance) C4'-P energy: -127.017
bonds (distance) P-C4' energy: -132.726
flat angles C4'-P-C4' energy: -168.472
flat angles P-C4'-P energy: -107.042
tors. eta vs tors. theta energy: -194.436
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: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2069.591231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.591231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.090393 (E_RNA)
where:
Base-Base interactions energy: -1442.553
where: short stacking energy: -600.429
Base-Backbone interact. energy: 1.602
local terms energy: -630.139300
where:
bonds (distance) C4'-P energy: -113.876
bonds (distance) P-C4' energy: -128.807
flat angles C4'-P-C4' energy: -152.756
flat angles P-C4'-P energy: -90.834
tors. eta vs tors. theta energy: -143.866
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2029.210123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.210123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.591612 (E_RNA)
where:
Base-Base interactions energy: -1344.030
where: short stacking energy: -573.827
Base-Backbone interact. energy: 2.277
local terms energy: -690.839464
where:
bonds (distance) C4'-P energy: -138.229
bonds (distance) P-C4' energy: -149.332
flat angles C4'-P-C4' energy: -144.153
flat angles P-C4'-P energy: -106.942
tors. eta vs tors. theta energy: -152.184
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1916.940379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.940379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.693848 (E_RNA)
where:
Base-Base interactions energy: -1276.630
where: short stacking energy: -533.338
Base-Backbone interact. energy: -4.632
local terms energy: -641.431476
where:
bonds (distance) C4'-P energy: -120.621
bonds (distance) P-C4' energy: -144.293
flat angles C4'-P-C4' energy: -137.569
flat angles P-C4'-P energy: -97.547
tors. eta vs tors. theta energy: -141.403
Dist. restrs. and SS energy: 5.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1878.484659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.484659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.872905 (E_RNA)
where:
Base-Base interactions energy: -1250.973
where: short stacking energy: -544.568
Base-Backbone interact. energy: -1.149
local terms energy: -630.749986
where:
bonds (distance) C4'-P energy: -129.296
bonds (distance) P-C4' energy: -130.002
flat angles C4'-P-C4' energy: -149.294
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -140.971
Dist. restrs. and SS energy: 4.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2949.354113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.354113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.139630 (E_RNA)
where:
Base-Base interactions energy: -2069.580
where: short stacking energy: -859.147
Base-Backbone interact. energy: 1.362
local terms energy: -882.921793
where:
bonds (distance) C4'-P energy: -164.702
bonds (distance) P-C4' energy: -178.476
flat angles C4'-P-C4' energy: -181.147
flat angles P-C4'-P energy: -102.924
tors. eta vs tors. theta energy: -255.673
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: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2846.775631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.775631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.555358 (E_RNA)
where:
Base-Base interactions energy: -1984.060
where: short stacking energy: -832.410
Base-Backbone interact. energy: 0.227
local terms energy: -864.722208
where:
bonds (distance) C4'-P energy: -161.669
bonds (distance) P-C4' energy: -146.390
flat angles C4'-P-C4' energy: -187.919
flat angles P-C4'-P energy: -117.594
tors. eta vs tors. theta energy: -251.151
Dist. restrs. and SS energy: 1.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2706.858156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.858156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.371573 (E_RNA)
where:
Base-Base interactions energy: -1879.393
where: short stacking energy: -749.747
Base-Backbone interact. energy: 0.246
local terms energy: -829.224826
where:
bonds (distance) C4'-P energy: -148.372
bonds (distance) P-C4' energy: -148.555
flat angles C4'-P-C4' energy: -181.821
flat angles P-C4'-P energy: -124.266
tors. eta vs tors. theta energy: -226.211
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: 426
Temperature: 1.050000
Total energy: -2636.085533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.085533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.058533 (E_RNA)
where:
Base-Base interactions energy: -1899.306
where: short stacking energy: -759.603
Base-Backbone interact. energy: 4.582
local terms energy: -742.334719
where:
bonds (distance) C4'-P energy: -139.937
bonds (distance) P-C4' energy: -111.900
flat angles C4'-P-C4' energy: -157.416
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -221.318
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2434.593477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.593477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.523031 (E_RNA)
where:
Base-Base interactions energy: -1677.187
where: short stacking energy: -715.823
Base-Backbone interact. energy: 7.391
local terms energy: -766.726332
where:
bonds (distance) C4'-P energy: -151.015
bonds (distance) P-C4' energy: -141.650
flat angles C4'-P-C4' energy: -175.692
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -205.185
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2195.027305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.027305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.884504 (E_RNA)
where:
Base-Base interactions energy: -1500.323
where: short stacking energy: -655.517
Base-Backbone interact. energy: 0.833
local terms energy: -698.394435
where:
bonds (distance) C4'-P energy: -117.766
bonds (distance) P-C4' energy: -144.130
flat angles C4'-P-C4' energy: -142.995
flat angles P-C4'-P energy: -111.754
tors. eta vs tors. theta energy: -181.749
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: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2079.130669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.130669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.359765 (E_RNA)
where:
Base-Base interactions energy: -1403.193
where: short stacking energy: -608.552
Base-Backbone interact. energy: -1.208
local terms energy: -678.958698
where:
bonds (distance) C4'-P energy: -131.797
bonds (distance) P-C4' energy: -131.391
flat angles C4'-P-C4' energy: -157.145
flat angles P-C4'-P energy: -97.375
tors. eta vs tors. theta energy: -161.250
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: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2044.471682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.430246 (E_RNA)
where:
Base-Base interactions energy: -1378.929
where: short stacking energy: -592.146
Base-Backbone interact. energy: 2.719
local terms energy: -670.220658
where:
bonds (distance) C4'-P energy: -133.483
bonds (distance) P-C4' energy: -142.881
flat angles C4'-P-C4' energy: -156.787
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -146.102
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: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1939.551743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.551743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.121007 (E_RNA)
where:
Base-Base interactions energy: -1316.711
where: short stacking energy: -553.405
Base-Backbone interact. energy: 0.733
local terms energy: -627.142198
where:
bonds (distance) C4'-P energy: -132.120
bonds (distance) P-C4' energy: -130.269
flat angles C4'-P-C4' energy: -133.430
flat angles P-C4'-P energy: -87.279
tors. eta vs tors. theta energy: -144.044
Dist. restrs. and SS energy: 3.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1844.963184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.963184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.930117 (E_RNA)
where:
Base-Base interactions energy: -1250.898
where: short stacking energy: -521.369
Base-Backbone interact. energy: -1.732
local terms energy: -598.300765
where:
bonds (distance) C4'-P energy: -130.891
bonds (distance) P-C4' energy: -121.793
flat angles C4'-P-C4' energy: -134.389
flat angles P-C4'-P energy: -80.505
tors. eta vs tors. theta energy: -130.723
Dist. restrs. and SS energy: 5.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2935.724556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.724556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.950521 (E_RNA)
where:
Base-Base interactions energy: -2031.377
where: short stacking energy: -848.273
Base-Backbone interact. energy: 2.804
local terms energy: -908.377726
where:
bonds (distance) C4'-P energy: -160.145
bonds (distance) P-C4' energy: -176.519
flat angles C4'-P-C4' energy: -197.406
flat angles P-C4'-P energy: -116.070
tors. eta vs tors. theta energy: -258.238
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2852.339814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.339814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.515625 (E_RNA)
where:
Base-Base interactions energy: -1965.681
where: short stacking energy: -803.636
Base-Backbone interact. energy: -1.871
local terms energy: -886.963585
where:
bonds (distance) C4'-P energy: -170.625
bonds (distance) P-C4' energy: -168.420
flat angles C4'-P-C4' energy: -179.115
flat angles P-C4'-P energy: -118.270
tors. eta vs tors. theta energy: -250.533
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: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2736.126601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.126601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.868068 (E_RNA)
where:
Base-Base interactions energy: -1927.854
where: short stacking energy: -779.380
Base-Backbone interact. energy: -4.046
local terms energy: -806.967655
where:
bonds (distance) C4'-P energy: -158.340
bonds (distance) P-C4' energy: -146.225
flat angles C4'-P-C4' energy: -168.219
flat angles P-C4'-P energy: -117.244
tors. eta vs tors. theta energy: -216.939
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2624.270790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.270790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.079162 (E_RNA)
where:
Base-Base interactions energy: -1829.887
where: short stacking energy: -734.574
Base-Backbone interact. energy: 2.936
local terms energy: -799.127807
where:
bonds (distance) C4'-P energy: -154.351
bonds (distance) P-C4' energy: -147.915
flat angles C4'-P-C4' energy: -174.905
flat angles P-C4'-P energy: -117.974
tors. eta vs tors. theta energy: -203.983
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: 5, replica: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2388.107745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.429854 (E_RNA)
where:
Base-Base interactions energy: -1640.387
where: short stacking energy: -688.412
Base-Backbone interact. energy: 2.797
local terms energy: -751.839828
where:
bonds (distance) C4'-P energy: -151.764
bonds (distance) P-C4' energy: -137.717
flat angles C4'-P-C4' energy: -170.592
flat angles P-C4'-P energy: -109.569
tors. eta vs tors. theta energy: -182.198
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2278.307894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.307894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.833298 (E_RNA)
where:
Base-Base interactions energy: -1561.404
where: short stacking energy: -699.060
Base-Backbone interact. energy: 7.593
local terms energy: -726.022198
where:
bonds (distance) C4'-P energy: -145.543
bonds (distance) P-C4' energy: -154.781
flat angles C4'-P-C4' energy: -140.384
flat angles P-C4'-P energy: -104.419
tors. eta vs tors. theta energy: -180.895
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2116.129514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.129514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.909965 (E_RNA)
where:
Base-Base interactions energy: -1443.938
where: short stacking energy: -632.286
Base-Backbone interact. energy: 5.091
local terms energy: -679.062859
where:
bonds (distance) C4'-P energy: -150.379
bonds (distance) P-C4' energy: -101.547
flat angles C4'-P-C4' energy: -141.146
flat angles P-C4'-P energy: -99.574
tors. eta vs tors. theta energy: -186.417
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: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1999.300790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.300790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.593517 (E_RNA)
where:
Base-Base interactions energy: -1348.584
where: short stacking energy: -569.988
Base-Backbone interact. energy: -1.146
local terms energy: -651.862962
where:
bonds (distance) C4'-P energy: -119.064
bonds (distance) P-C4' energy: -142.797
flat angles C4'-P-C4' energy: -143.968
flat angles P-C4'-P energy: -92.657
tors. eta vs tors. theta energy: -153.376
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: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1940.645042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.645042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.177984 (E_RNA)
where:
Base-Base interactions energy: -1327.799
where: short stacking energy: -560.583
Base-Backbone interact. energy: 2.628
local terms energy: -619.006760
where:
bonds (distance) C4'-P energy: -136.791
bonds (distance) P-C4' energy: -113.846
flat angles C4'-P-C4' energy: -145.508
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -139.646
Dist. restrs. and SS energy: 3.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1783.913985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.913985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.460197 (E_RNA)
where:
Base-Base interactions energy: -1225.329
where: short stacking energy: -504.482
Base-Backbone interact. energy: -1.049
local terms energy: -563.082615
where:
bonds (distance) C4'-P energy: -107.509
bonds (distance) P-C4' energy: -127.590
flat angles C4'-P-C4' energy: -137.993
flat angles P-C4'-P energy: -85.461
tors. eta vs tors. theta energy: -104.530
Dist. restrs. and SS energy: 5.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2928.069064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.069064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.013597 (E_RNA)
where:
Base-Base interactions energy: -2034.374
where: short stacking energy: -838.214
Base-Backbone interact. energy: -0.997
local terms energy: -893.642698
where:
bonds (distance) C4'-P energy: -154.043
bonds (distance) P-C4' energy: -163.521
flat angles C4'-P-C4' energy: -198.586
flat angles P-C4'-P energy: -132.308
tors. eta vs tors. theta energy: -245.184
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: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2848.924846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.924846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.273091 (E_RNA)
where:
Base-Base interactions energy: -1979.510
where: short stacking energy: -848.399
Base-Backbone interact. energy: -0.532
local terms energy: -871.230927
where:
bonds (distance) C4'-P energy: -164.132
bonds (distance) P-C4' energy: -159.928
flat angles C4'-P-C4' energy: -176.886
flat angles P-C4'-P energy: -119.469
tors. eta vs tors. theta energy: -250.815
Dist. restrs. and SS energy: 2.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2686.339209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.339209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.968993 (E_RNA)
where:
Base-Base interactions energy: -1875.677
where: short stacking energy: -749.296
Base-Backbone interact. energy: 5.649
local terms energy: -818.941294
where:
bonds (distance) C4'-P energy: -165.507
bonds (distance) P-C4' energy: -145.393
flat angles C4'-P-C4' energy: -177.560
flat angles P-C4'-P energy: -119.416
tors. eta vs tors. theta energy: -211.065
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2591.701210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.701210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.900498 (E_RNA)
where:
Base-Base interactions energy: -1780.068
where: short stacking energy: -714.211
Base-Backbone interact. energy: 3.880
local terms energy: -817.712654
where:
bonds (distance) C4'-P energy: -146.884
bonds (distance) P-C4' energy: -156.119
flat angles C4'-P-C4' energy: -173.924
flat angles P-C4'-P energy: -122.452
tors. eta vs tors. theta energy: -218.333
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: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2442.807161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.807161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.171633 (E_RNA)
where:
Base-Base interactions energy: -1675.776
where: short stacking energy: -720.316
Base-Backbone interact. energy: 3.555
local terms energy: -771.950787
where:
bonds (distance) C4'-P energy: -141.777
bonds (distance) P-C4' energy: -129.004
flat angles C4'-P-C4' energy: -178.475
flat angles P-C4'-P energy: -110.643
tors. eta vs tors. theta energy: -212.052
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: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2245.102255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.102255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.778708 (E_RNA)
where:
Base-Base interactions energy: -1546.255
where: short stacking energy: -663.513
Base-Backbone interact. energy: -0.109
local terms energy: -701.414902
where:
bonds (distance) C4'-P energy: -139.927
bonds (distance) P-C4' energy: -133.097
flat angles C4'-P-C4' energy: -135.992
flat angles P-C4'-P energy: -108.341
tors. eta vs tors. theta energy: -184.058
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: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2152.901730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.901730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.432924 (E_RNA)
where:
Base-Base interactions energy: -1440.863
where: short stacking energy: -635.952
Base-Backbone interact. energy: 3.926
local terms energy: -718.496039
where:
bonds (distance) C4'-P energy: -146.519
bonds (distance) P-C4' energy: -148.616
flat angles C4'-P-C4' energy: -161.351
flat angles P-C4'-P energy: -95.124
tors. eta vs tors. theta energy: -166.886
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2047.232211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.232211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.588718 (E_RNA)
where:
Base-Base interactions energy: -1346.706
where: short stacking energy: -567.087
Base-Backbone interact. energy: -1.597
local terms energy: -702.285127
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -152.147
flat angles C4'-P-C4' energy: -157.442
flat angles P-C4'-P energy: -98.784
tors. eta vs tors. theta energy: -146.302
Dist. restrs. and SS energy: 3.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1951.355323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.355323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.680096 (E_RNA)
where:
Base-Base interactions energy: -1333.555
where: short stacking energy: -553.332
Base-Backbone interact. energy: -3.026
local terms energy: -617.098815
where:
bonds (distance) C4'-P energy: -142.572
bonds (distance) P-C4' energy: -107.004
flat angles C4'-P-C4' energy: -125.049
flat angles P-C4'-P energy: -93.325
tors. eta vs tors. theta energy: -149.150
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: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1837.829501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.829501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.145829 (E_RNA)
where:
Base-Base interactions energy: -1261.596
where: short stacking energy: -538.244
Base-Backbone interact. energy: 1.071
local terms energy: -581.620648
where:
bonds (distance) C4'-P energy: -127.635
bonds (distance) P-C4' energy: -120.097
flat angles C4'-P-C4' energy: -133.375
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -139.203
Dist. restrs. and SS energy: 4.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2937.483416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.483416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.546887 (E_RNA)
where:
Base-Base interactions energy: -2048.546
where: short stacking energy: -851.258
Base-Backbone interact. energy: -0.526
local terms energy: -889.475110
where:
bonds (distance) C4'-P energy: -161.228
bonds (distance) P-C4' energy: -177.133
flat angles C4'-P-C4' energy: -179.726
flat angles P-C4'-P energy: -119.852
tors. eta vs tors. theta energy: -251.535
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: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2844.645490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.645490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.846832 (E_RNA)
where:
Base-Base interactions energy: -1978.903
where: short stacking energy: -842.749
Base-Backbone interact. energy: 3.368
local terms energy: -871.311568
where:
bonds (distance) C4'-P energy: -153.065
bonds (distance) P-C4' energy: -158.388
flat angles C4'-P-C4' energy: -180.022
flat angles P-C4'-P energy: -130.665
tors. eta vs tors. theta energy: -249.173
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: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2683.288805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.288805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.436181 (E_RNA)
where:
Base-Base interactions energy: -1867.797
where: short stacking energy: -781.220
Base-Backbone interact. energy: 6.545
local terms energy: -824.183788
where:
bonds (distance) C4'-P energy: -151.594
bonds (distance) P-C4' energy: -152.419
flat angles C4'-P-C4' energy: -179.107
flat angles P-C4'-P energy: -118.142
tors. eta vs tors. theta energy: -222.922
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: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2621.256315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.256315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.361016 (E_RNA)
where:
Base-Base interactions energy: -1786.654
where: short stacking energy: -735.100
Base-Backbone interact. energy: -9.289
local terms energy: -828.418042
where:
bonds (distance) C4'-P energy: -157.425
bonds (distance) P-C4' energy: -149.895
flat angles C4'-P-C4' energy: -184.127
flat angles P-C4'-P energy: -117.614
tors. eta vs tors. theta energy: -219.357
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: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2401.833864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.833864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.422978 (E_RNA)
where:
Base-Base interactions energy: -1657.780
where: short stacking energy: -708.504
Base-Backbone interact. energy: -0.351
local terms energy: -745.291441
where:
bonds (distance) C4'-P energy: -149.371
bonds (distance) P-C4' energy: -128.155
flat angles C4'-P-C4' energy: -159.753
flat angles P-C4'-P energy: -104.705
tors. eta vs tors. theta energy: -203.308
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: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2237.487874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.487874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.880831 (E_RNA)
where:
Base-Base interactions energy: -1531.464
where: short stacking energy: -662.662
Base-Backbone interact. energy: -2.023
local terms energy: -705.393042
where:
bonds (distance) C4'-P energy: -147.299
bonds (distance) P-C4' energy: -133.976
flat angles C4'-P-C4' energy: -158.166
flat angles P-C4'-P energy: -92.528
tors. eta vs tors. theta energy: -173.423
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2102.184132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.184132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.274462 (E_RNA)
where:
Base-Base interactions energy: -1433.655
where: short stacking energy: -617.265
Base-Backbone interact. energy: 9.750
local terms energy: -682.369942
where:
bonds (distance) C4'-P energy: -118.471
bonds (distance) P-C4' energy: -152.579
flat angles C4'-P-C4' energy: -157.315
flat angles P-C4'-P energy: -85.226
tors. eta vs tors. theta energy: -168.779
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: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2063.399494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.399494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.357376 (E_RNA)
where:
Base-Base interactions energy: -1418.186
where: short stacking energy: -605.451
Base-Backbone interact. energy: -1.543
local terms energy: -646.628454
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -133.248
flat angles C4'-P-C4' energy: -137.838
flat angles P-C4'-P energy: -90.388
tors. eta vs tors. theta energy: -157.957
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1954.618838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.618838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.069761 (E_RNA)
where:
Base-Base interactions energy: -1340.727
where: short stacking energy: -574.426
Base-Backbone interact. energy: -1.232
local terms energy: -615.110560
where:
bonds (distance) C4'-P energy: -112.933
bonds (distance) P-C4' energy: -128.239
flat angles C4'-P-C4' energy: -153.230
flat angles P-C4'-P energy: -85.302
tors. eta vs tors. theta energy: -135.406
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: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1863.232028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.232028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.181031 (E_RNA)
where:
Base-Base interactions energy: -1263.047
where: short stacking energy: -525.360
Base-Backbone interact. energy: -1.735
local terms energy: -600.399712
where:
bonds (distance) C4'-P energy: -106.316
bonds (distance) P-C4' energy: -136.110
flat angles C4'-P-C4' energy: -140.939
flat angles P-C4'-P energy: -83.024
tors. eta vs tors. theta energy: -134.011
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2916.590067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.590067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.419900 (E_RNA)
where:
Base-Base interactions energy: -2028.521
where: short stacking energy: -839.202
Base-Backbone interact. energy: 0.204
local terms energy: -891.102261
where:
bonds (distance) C4'-P energy: -162.450
bonds (distance) P-C4' energy: -175.513
flat angles C4'-P-C4' energy: -194.119
flat angles P-C4'-P energy: -109.779
tors. eta vs tors. theta energy: -249.240
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2806.381607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.381607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.008141 (E_RNA)
where:
Base-Base interactions energy: -1938.052
where: short stacking energy: -803.172
Base-Backbone interact. energy: 0.036
local terms energy: -871.992853
where:
bonds (distance) C4'-P energy: -163.568
bonds (distance) P-C4' energy: -165.432
flat angles C4'-P-C4' energy: -180.962
flat angles P-C4'-P energy: -125.989
tors. eta vs tors. theta energy: -236.042
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2692.080125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.080125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.363289 (E_RNA)
where:
Base-Base interactions energy: -1863.468
where: short stacking energy: -781.950
Base-Backbone interact. energy: 3.934
local terms energy: -834.829277
where:
bonds (distance) C4'-P energy: -150.816
bonds (distance) P-C4' energy: -164.518
flat angles C4'-P-C4' energy: -179.812
flat angles P-C4'-P energy: -115.418
tors. eta vs tors. theta energy: -224.265
Dist. restrs. and SS energy: 2.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2653.591684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.591684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.127479 (E_RNA)
where:
Base-Base interactions energy: -1845.311
where: short stacking energy: -745.673
Base-Backbone interact. energy: -1.652
local terms energy: -808.164804
where:
bonds (distance) C4'-P energy: -153.198
bonds (distance) P-C4' energy: -160.627
flat angles C4'-P-C4' energy: -169.697
flat angles P-C4'-P energy: -97.107
tors. eta vs tors. theta energy: -227.536
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: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2392.137247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.137247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.810706 (E_RNA)
where:
Base-Base interactions energy: -1639.312
where: short stacking energy: -702.984
Base-Backbone interact. energy: 0.178
local terms energy: -754.676596
where:
bonds (distance) C4'-P energy: -132.290
bonds (distance) P-C4' energy: -159.024
flat angles C4'-P-C4' energy: -151.547
flat angles P-C4'-P energy: -114.887
tors. eta vs tors. theta energy: -196.928
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: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2214.551161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.551161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.784362 (E_RNA)
where:
Base-Base interactions energy: -1527.808
where: short stacking energy: -680.313
Base-Backbone interact. energy: -5.010
local terms energy: -683.965596
where:
bonds (distance) C4'-P energy: -128.132
bonds (distance) P-C4' energy: -122.045
flat angles C4'-P-C4' energy: -152.915
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -184.949
Dist. restrs. and SS energy: 2.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2132.350470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.350470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.901510 (E_RNA)
where:
Base-Base interactions energy: -1447.697
where: short stacking energy: -615.822
Base-Backbone interact. energy: 2.244
local terms energy: -689.447986
where:
bonds (distance) C4'-P energy: -120.931
bonds (distance) P-C4' energy: -147.555
flat angles C4'-P-C4' energy: -158.689
flat angles P-C4'-P energy: -79.688
tors. eta vs tors. theta energy: -182.586
Dist. restrs. and SS energy: 2.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2001.309674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.309674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.332408 (E_RNA)
where:
Base-Base interactions energy: -1366.617
where: short stacking energy: -594.973
Base-Backbone interact. energy: 8.197
local terms energy: -645.912833
where:
bonds (distance) C4'-P energy: -111.059
bonds (distance) P-C4' energy: -133.023
flat angles C4'-P-C4' energy: -151.450
flat angles P-C4'-P energy: -94.390
tors. eta vs tors. theta energy: -155.992
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: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1941.418967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.418967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.380063 (E_RNA)
where:
Base-Base interactions energy: -1284.611
where: short stacking energy: -520.597
Base-Backbone interact. energy: 0.009
local terms energy: -658.777482
where:
bonds (distance) C4'-P energy: -137.487
bonds (distance) P-C4' energy: -146.645
flat angles C4'-P-C4' energy: -150.617
flat angles P-C4'-P energy: -89.597
tors. eta vs tors. theta energy: -134.431
Dist. restrs. and SS energy: 1.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1863.501923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.360688 (E_RNA)
where:
Base-Base interactions energy: -1240.329
where: short stacking energy: -516.985
Base-Backbone interact. energy: -1.126
local terms energy: -624.905430
where:
bonds (distance) C4'-P energy: -125.840
bonds (distance) P-C4' energy: -150.379
flat angles C4'-P-C4' energy: -134.232
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: -130.008
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: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2907.055851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.055851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.179149 (E_RNA)
where:
Base-Base interactions energy: -2037.322
where: short stacking energy: -826.855
Base-Backbone interact. energy: -0.976
local terms energy: -871.881606
where:
bonds (distance) C4'-P energy: -161.420
bonds (distance) P-C4' energy: -158.653
flat angles C4'-P-C4' energy: -189.767
flat angles P-C4'-P energy: -121.006
tors. eta vs tors. theta energy: -241.036
Dist. restrs. and SS energy: 3.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2794.324071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.324071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.932998 (E_RNA)
where:
Base-Base interactions energy: -1968.626
where: short stacking energy: -847.605
Base-Backbone interact. energy: 5.507
local terms energy: -833.813517
where:
bonds (distance) C4'-P energy: -141.265
bonds (distance) P-C4' energy: -159.333
flat angles C4'-P-C4' energy: -172.080
flat angles P-C4'-P energy: -127.434
tors. eta vs tors. theta energy: -233.702
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: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2693.054000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.054000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.457608 (E_RNA)
where:
Base-Base interactions energy: -1860.765
where: short stacking energy: -775.425
Base-Backbone interact. energy: -1.899
local terms energy: -831.793542
where:
bonds (distance) C4'-P energy: -152.474
bonds (distance) P-C4' energy: -155.050
flat angles C4'-P-C4' energy: -177.830
flat angles P-C4'-P energy: -126.691
tors. eta vs tors. theta energy: -219.749
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2597.856181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.788816 (E_RNA)
where:
Base-Base interactions energy: -1800.493
where: short stacking energy: -724.948
Base-Backbone interact. energy: -0.315
local terms energy: -798.981397
where:
bonds (distance) C4'-P energy: -146.991
bonds (distance) P-C4' energy: -135.770
flat angles C4'-P-C4' energy: -175.644
flat angles P-C4'-P energy: -118.021
tors. eta vs tors. theta energy: -222.556
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: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2394.306400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.306400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.808254 (E_RNA)
where:
Base-Base interactions energy: -1631.794
where: short stacking energy: -730.069
Base-Backbone interact. energy: -1.374
local terms energy: -763.640762
where:
bonds (distance) C4'-P energy: -147.788
bonds (distance) P-C4' energy: -147.800
flat angles C4'-P-C4' energy: -159.006
flat angles P-C4'-P energy: -110.380
tors. eta vs tors. theta energy: -198.667
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: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2222.995716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.995716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.099916 (E_RNA)
where:
Base-Base interactions energy: -1484.348
where: short stacking energy: -656.161
Base-Backbone interact. energy: 3.900
local terms energy: -744.651188
where:
bonds (distance) C4'-P energy: -163.791
bonds (distance) P-C4' energy: -143.370
flat angles C4'-P-C4' energy: -161.172
flat angles P-C4'-P energy: -109.110
tors. eta vs tors. theta energy: -167.209
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: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2127.064344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.064344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.667336 (E_RNA)
where:
Base-Base interactions energy: -1436.294
where: short stacking energy: -633.356
Base-Backbone interact. energy: -1.771
local terms energy: -692.602259
where:
bonds (distance) C4'-P energy: -129.983
bonds (distance) P-C4' energy: -126.256
flat angles C4'-P-C4' energy: -164.094
flat angles P-C4'-P energy: -103.625
tors. eta vs tors. theta energy: -168.644
Dist. restrs. and SS energy: 3.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1988.091170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.091170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.725178 (E_RNA)
where:
Base-Base interactions energy: -1362.840
where: short stacking energy: -568.056
Base-Backbone interact. energy: 4.875
local terms energy: -632.760067
where:
bonds (distance) C4'-P energy: -133.593
bonds (distance) P-C4' energy: -123.902
flat angles C4'-P-C4' energy: -146.054
flat angles P-C4'-P energy: -81.962
tors. eta vs tors. theta energy: -147.249
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: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1961.949232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.949232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.419916 (E_RNA)
where:
Base-Base interactions energy: -1318.309
where: short stacking energy: -565.360
Base-Backbone interact. energy: 0.293
local terms energy: -646.403883
where:
bonds (distance) C4'-P energy: -125.083
bonds (distance) P-C4' energy: -133.317
flat angles C4'-P-C4' energy: -141.862
flat angles P-C4'-P energy: -106.169
tors. eta vs tors. theta energy: -139.972
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: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1840.050433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.050433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.863481 (E_RNA)
where:
Base-Base interactions energy: -1258.662
where: short stacking energy: -521.710
Base-Backbone interact. energy: -2.422
local terms energy: -582.779904
where:
bonds (distance) C4'-P energy: -133.128
bonds (distance) P-C4' energy: -127.274
flat angles C4'-P-C4' energy: -119.334
flat angles P-C4'-P energy: -74.995
tors. eta vs tors. theta energy: -128.049
Dist. restrs. and SS energy: 3.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2931.470584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.470584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.480489 (E_RNA)
where:
Base-Base interactions energy: -2061.956
where: short stacking energy: -856.156
Base-Backbone interact. energy: -2.434
local terms energy: -869.089806
where:
bonds (distance) C4'-P energy: -165.162
bonds (distance) P-C4' energy: -159.600
flat angles C4'-P-C4' energy: -173.085
flat angles P-C4'-P energy: -130.391
tors. eta vs tors. theta energy: -240.851
Dist. restrs. and SS energy: 2.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2828.884495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.884495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.162035 (E_RNA)
where:
Base-Base interactions energy: -1968.217
where: short stacking energy: -835.636
Base-Backbone interact. energy: 1.175
local terms energy: -864.119653
where:
bonds (distance) C4'-P energy: -150.208
bonds (distance) P-C4' energy: -159.270
flat angles C4'-P-C4' energy: -181.408
flat angles P-C4'-P energy: -133.220
tors. eta vs tors. theta energy: -240.015
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: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2680.702674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.702674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.529837 (E_RNA)
where:
Base-Base interactions energy: -1857.838
where: short stacking energy: -777.910
Base-Backbone interact. energy: -4.115
local terms energy: -820.576681
where:
bonds (distance) C4'-P energy: -147.782
bonds (distance) P-C4' energy: -159.500
flat angles C4'-P-C4' energy: -171.637
flat angles P-C4'-P energy: -126.014
tors. eta vs tors. theta energy: -215.644
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2593.492595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.492595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.624081 (E_RNA)
where:
Base-Base interactions energy: -1829.388
where: short stacking energy: -729.631
Base-Backbone interact. energy: -2.129
local terms energy: -763.106857
where:
bonds (distance) C4'-P energy: -145.800
bonds (distance) P-C4' energy: -146.016
flat angles C4'-P-C4' energy: -163.036
flat angles P-C4'-P energy: -103.828
tors. eta vs tors. theta energy: -204.427
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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2385.179261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.179261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.083107 (E_RNA)
where:
Base-Base interactions energy: -1620.757
where: short stacking energy: -695.312
Base-Backbone interact. energy: 2.807
local terms energy: -769.133332
where:
bonds (distance) C4'-P energy: -144.475
bonds (distance) P-C4' energy: -151.450
flat angles C4'-P-C4' energy: -176.267
flat angles P-C4'-P energy: -105.318
tors. eta vs tors. theta energy: -191.624
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2233.571645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.571645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.040807 (E_RNA)
where:
Base-Base interactions energy: -1502.144
where: short stacking energy: -660.908
Base-Backbone interact. energy: -2.581
local terms energy: -731.315446
where:
bonds (distance) C4'-P energy: -137.061
bonds (distance) P-C4' energy: -128.255
flat angles C4'-P-C4' energy: -168.567
flat angles P-C4'-P energy: -111.949
tors. eta vs tors. theta energy: -185.483
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: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2140.436263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.436263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.693587 (E_RNA)
where:
Base-Base interactions energy: -1409.879
where: short stacking energy: -607.945
Base-Backbone interact. energy: 0.703
local terms energy: -732.517205
where:
bonds (distance) C4'-P energy: -146.467
bonds (distance) P-C4' energy: -150.321
flat angles C4'-P-C4' energy: -154.269
flat angles P-C4'-P energy: -106.765
tors. eta vs tors. theta energy: -174.695
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: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1975.019327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.019327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.496851 (E_RNA)
where:
Base-Base interactions energy: -1317.645
where: short stacking energy: -576.873
Base-Backbone interact. energy: -2.232
local terms energy: -659.619491
where:
bonds (distance) C4'-P energy: -129.403
bonds (distance) P-C4' energy: -155.336
flat angles C4'-P-C4' energy: -161.097
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -145.075
Dist. restrs. and SS energy: 4.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1948.244072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.244072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.087517 (E_RNA)
where:
Base-Base interactions energy: -1360.553
where: short stacking energy: -590.565
Base-Backbone interact. energy: -2.382
local terms energy: -588.152302
where:
bonds (distance) C4'-P energy: -110.148
bonds (distance) P-C4' energy: -124.181
flat angles C4'-P-C4' energy: -141.043
flat angles P-C4'-P energy: -71.261
tors. eta vs tors. theta energy: -141.520
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1852.789089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.789089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.484749 (E_RNA)
where:
Base-Base interactions energy: -1270.701
where: short stacking energy: -555.078
Base-Backbone interact. energy: -2.126
local terms energy: -582.656848
where:
bonds (distance) C4'-P energy: -101.344
bonds (distance) P-C4' energy: -145.941
flat angles C4'-P-C4' energy: -135.573
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -136.648
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2918.524210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.524210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.098374 (E_RNA)
where:
Base-Base interactions energy: -2047.285
where: short stacking energy: -830.613
Base-Backbone interact. energy: -4.240
local terms energy: -869.572810
where:
bonds (distance) C4'-P energy: -160.719
bonds (distance) P-C4' energy: -163.682
flat angles C4'-P-C4' energy: -187.440
flat angles P-C4'-P energy: -109.431
tors. eta vs tors. theta energy: -248.300
Dist. restrs. and SS energy: 2.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2868.881274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.505115 (E_RNA)
where:
Base-Base interactions energy: -2017.572
where: short stacking energy: -865.627
Base-Backbone interact. energy: 2.717
local terms energy: -856.650627
where:
bonds (distance) C4'-P energy: -153.418
bonds (distance) P-C4' energy: -144.652
flat angles C4'-P-C4' energy: -184.951
flat angles P-C4'-P energy: -115.543
tors. eta vs tors. theta energy: -258.086
Dist. restrs. and SS energy: 2.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2664.534444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.962926 (E_RNA)
where:
Base-Base interactions energy: -1862.232
where: short stacking energy: -749.409
Base-Backbone interact. energy: -2.845
local terms energy: -800.886084
where:
bonds (distance) C4'-P energy: -162.208
bonds (distance) P-C4' energy: -150.283
flat angles C4'-P-C4' energy: -166.271
flat angles P-C4'-P energy: -111.584
tors. eta vs tors. theta energy: -210.541
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: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2585.622653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.622653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.392318 (E_RNA)
where:
Base-Base interactions energy: -1806.584
where: short stacking energy: -738.681
Base-Backbone interact. energy: -4.631
local terms energy: -776.178110
where:
bonds (distance) C4'-P energy: -159.645
bonds (distance) P-C4' energy: -130.503
flat angles C4'-P-C4' energy: -179.380
flat angles P-C4'-P energy: -101.111
tors. eta vs tors. theta energy: -205.540
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: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2349.726546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.726546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.722531 (E_RNA)
where:
Base-Base interactions energy: -1617.518
where: short stacking energy: -667.779
Base-Backbone interact. energy: 1.748
local terms energy: -735.952593
where:
bonds (distance) C4'-P energy: -140.392
bonds (distance) P-C4' energy: -134.655
flat angles C4'-P-C4' energy: -157.604
flat angles P-C4'-P energy: -119.048
tors. eta vs tors. theta energy: -184.254
Dist. restrs. and SS energy: 1.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2165.256583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.256583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.666222 (E_RNA)
where:
Base-Base interactions energy: -1470.918
where: short stacking energy: -654.972
Base-Backbone interact. energy: -1.080
local terms energy: -694.668887
where:
bonds (distance) C4'-P energy: -141.665
bonds (distance) P-C4' energy: -140.096
flat angles C4'-P-C4' energy: -138.111
flat angles P-C4'-P energy: -106.945
tors. eta vs tors. theta energy: -167.852
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: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2117.504260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.504260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.384295 (E_RNA)
where:
Base-Base interactions energy: -1441.883
where: short stacking energy: -639.172
Base-Backbone interact. energy: 6.358
local terms energy: -684.859233
where:
bonds (distance) C4'-P energy: -131.061
bonds (distance) P-C4' energy: -133.148
flat angles C4'-P-C4' energy: -151.879
flat angles P-C4'-P energy: -94.540
tors. eta vs tors. theta energy: -174.232
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1991.742200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.742200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.765294 (E_RNA)
where:
Base-Base interactions energy: -1341.801
where: short stacking energy: -570.431
Base-Backbone interact. energy: -2.059
local terms energy: -651.904826
where:
bonds (distance) C4'-P energy: -131.664
bonds (distance) P-C4' energy: -147.613
flat angles C4'-P-C4' energy: -155.573
flat angles P-C4'-P energy: -88.975
tors. eta vs tors. theta energy: -128.079
Dist. restrs. and SS energy: 4.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1952.544832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.544832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.628397 (E_RNA)
where:
Base-Base interactions energy: -1331.172
where: short stacking energy: -536.534
Base-Backbone interact. energy: 0.851
local terms energy: -627.307833
where:
bonds (distance) C4'-P energy: -124.119
bonds (distance) P-C4' energy: -118.746
flat angles C4'-P-C4' energy: -151.452
flat angles P-C4'-P energy: -76.478
tors. eta vs tors. theta energy: -156.513
Dist. restrs. and SS energy: 5.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1863.525355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.525355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.084997 (E_RNA)
where:
Base-Base interactions energy: -1296.224
where: short stacking energy: -545.843
Base-Backbone interact. energy: -2.552
local terms energy: -568.309430
where:
bonds (distance) C4'-P energy: -121.710
bonds (distance) P-C4' energy: -92.238
flat angles C4'-P-C4' energy: -138.741
flat angles P-C4'-P energy: -71.736
tors. eta vs tors. theta energy: -143.884
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: 434
Temperature: 0.900000
Total energy: -2899.926092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.926092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.641399 (E_RNA)
where:
Base-Base interactions energy: -2020.801
where: short stacking energy: -824.249
Base-Backbone interact. energy: 0.137
local terms energy: -880.977033
where:
bonds (distance) C4'-P energy: -163.620
bonds (distance) P-C4' energy: -166.411
flat angles C4'-P-C4' energy: -180.308
flat angles P-C4'-P energy: -123.510
tors. eta vs tors. theta energy: -247.128
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2842.031522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.031522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.880805 (E_RNA)
where:
Base-Base interactions energy: -1969.500
where: short stacking energy: -823.397
Base-Backbone interact. energy: -0.348
local terms energy: -875.032232
where:
bonds (distance) C4'-P energy: -169.234
bonds (distance) P-C4' energy: -153.655
flat angles C4'-P-C4' energy: -177.320
flat angles P-C4'-P energy: -128.152
tors. eta vs tors. theta energy: -246.672
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: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2702.619139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.619139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.399689 (E_RNA)
where:
Base-Base interactions energy: -1910.110
where: short stacking energy: -747.543
Base-Backbone interact. energy: -2.383
local terms energy: -791.906813
where:
bonds (distance) C4'-P energy: -145.224
bonds (distance) P-C4' energy: -145.551
flat angles C4'-P-C4' energy: -173.925
flat angles P-C4'-P energy: -115.548
tors. eta vs tors. theta energy: -211.658
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: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2572.184688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.184688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.036810 (E_RNA)
where:
Base-Base interactions energy: -1764.180
where: short stacking energy: -767.651
Base-Backbone interact. energy: -3.324
local terms energy: -806.532739
where:
bonds (distance) C4'-P energy: -144.443
bonds (distance) P-C4' energy: -145.283
flat angles C4'-P-C4' energy: -166.466
flat angles P-C4'-P energy: -130.635
tors. eta vs tors. theta energy: -219.706
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2357.994052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.994052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.832383 (E_RNA)
where:
Base-Base interactions energy: -1625.143
where: short stacking energy: -677.055
Base-Backbone interact. energy: -2.086
local terms energy: -732.603480
where:
bonds (distance) C4'-P energy: -125.958
bonds (distance) P-C4' energy: -150.492
flat angles C4'-P-C4' energy: -159.602
flat angles P-C4'-P energy: -111.752
tors. eta vs tors. theta energy: -184.799
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: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2190.882600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.882600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.855840 (E_RNA)
where:
Base-Base interactions energy: -1460.859
where: short stacking energy: -638.908
Base-Backbone interact. energy: -3.381
local terms energy: -729.616404
where:
bonds (distance) C4'-P energy: -143.684
bonds (distance) P-C4' energy: -156.505
flat angles C4'-P-C4' energy: -148.903
flat angles P-C4'-P energy: -99.154
tors. eta vs tors. theta energy: -181.371
Dist. restrs. and SS energy: 2.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2161.155721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.155721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.201096 (E_RNA)
where:
Base-Base interactions energy: -1445.381
where: short stacking energy: -614.796
Base-Backbone interact. energy: 1.665
local terms energy: -719.485129
where:
bonds (distance) C4'-P energy: -136.612
bonds (distance) P-C4' energy: -140.270
flat angles C4'-P-C4' energy: -152.853
flat angles P-C4'-P energy: -103.154
tors. eta vs tors. theta energy: -186.596
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1999.093930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.093930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.383643 (E_RNA)
where:
Base-Base interactions energy: -1348.746
where: short stacking energy: -571.666
Base-Backbone interact. energy: -2.169
local terms energy: -650.468993
where:
bonds (distance) C4'-P energy: -126.614
bonds (distance) P-C4' energy: -118.613
flat angles C4'-P-C4' energy: -144.214
flat angles P-C4'-P energy: -104.355
tors. eta vs tors. theta energy: -156.673
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: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1957.082169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.082169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.033880 (E_RNA)
where:
Base-Base interactions energy: -1316.666
where: short stacking energy: -545.126
Base-Backbone interact. energy: 4.807
local terms energy: -647.173944
where:
bonds (distance) C4'-P energy: -134.017
bonds (distance) P-C4' energy: -134.763
flat angles C4'-P-C4' energy: -136.574
flat angles P-C4'-P energy: -97.310
tors. eta vs tors. theta energy: -144.510
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: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1834.033318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.033318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.978934 (E_RNA)
where:
Base-Base interactions energy: -1275.471
where: short stacking energy: -531.190
Base-Backbone interact. energy: -2.675
local terms energy: -558.832646
where:
bonds (distance) C4'-P energy: -111.461
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -123.837
flat angles P-C4'-P energy: -83.594
tors. eta vs tors. theta energy: -124.923
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: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2864.704342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.704342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.489389 (E_RNA)
where:
Base-Base interactions energy: -1969.281
where: short stacking energy: -809.107
Base-Backbone interact. energy: -1.604
local terms energy: -896.603851
where:
bonds (distance) C4'-P energy: -175.993
bonds (distance) P-C4' energy: -175.262
flat angles C4'-P-C4' energy: -185.901
flat angles P-C4'-P energy: -119.604
tors. eta vs tors. theta energy: -239.844
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2840.115128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.115128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.621875 (E_RNA)
where:
Base-Base interactions energy: -1970.644
where: short stacking energy: -807.313
Base-Backbone interact. energy: -0.188
local terms energy: -871.789381
where:
bonds (distance) C4'-P energy: -165.297
bonds (distance) P-C4' energy: -161.083
flat angles C4'-P-C4' energy: -170.984
flat angles P-C4'-P energy: -130.295
tors. eta vs tors. theta energy: -244.130
Dist. restrs. and SS energy: 2.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2677.369693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.369693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.533871 (E_RNA)
where:
Base-Base interactions energy: -1849.206
where: short stacking energy: -742.700
Base-Backbone interact. energy: -1.468
local terms energy: -828.859152
where:
bonds (distance) C4'-P energy: -157.051
bonds (distance) P-C4' energy: -167.815
flat angles C4'-P-C4' energy: -171.347
flat angles P-C4'-P energy: -118.325
tors. eta vs tors. theta energy: -214.321
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: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2588.620774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.620774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.228719 (E_RNA)
where:
Base-Base interactions energy: -1825.631
where: short stacking energy: -751.084
Base-Backbone interact. energy: 2.449
local terms energy: -767.046192
where:
bonds (distance) C4'-P energy: -124.067
bonds (distance) P-C4' energy: -160.351
flat angles C4'-P-C4' energy: -158.142
flat angles P-C4'-P energy: -112.515
tors. eta vs tors. theta energy: -211.970
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: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2392.059330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.059330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.543581 (E_RNA)
where:
Base-Base interactions energy: -1650.417
where: short stacking energy: -725.628
Base-Backbone interact. energy: -2.175
local terms energy: -740.951766
where:
bonds (distance) C4'-P energy: -129.266
bonds (distance) P-C4' energy: -140.388
flat angles C4'-P-C4' energy: -151.933
flat angles P-C4'-P energy: -104.370
tors. eta vs tors. theta energy: -214.996
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2188.725456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.725456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.542614 (E_RNA)
where:
Base-Base interactions energy: -1457.090
where: short stacking energy: -637.972
Base-Backbone interact. energy: -1.745
local terms energy: -733.708188
where:
bonds (distance) C4'-P energy: -133.321
bonds (distance) P-C4' energy: -159.539
flat angles C4'-P-C4' energy: -161.329
flat angles P-C4'-P energy: -95.047
tors. eta vs tors. theta energy: -184.472
Dist. restrs. and SS energy: 3.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2072.068173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.068173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.377273 (E_RNA)
where:
Base-Base interactions energy: -1412.967
where: short stacking energy: -603.031
Base-Backbone interact. energy: -3.669
local terms energy: -658.741400
where:
bonds (distance) C4'-P energy: -133.661
bonds (distance) P-C4' energy: -127.507
flat angles C4'-P-C4' energy: -138.578
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -163.994
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: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2001.455160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.455160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.591011 (E_RNA)
where:
Base-Base interactions energy: -1361.027
where: short stacking energy: -581.154
Base-Backbone interact. energy: 5.529
local terms energy: -648.092600
where:
bonds (distance) C4'-P energy: -115.048
bonds (distance) P-C4' energy: -144.141
flat angles C4'-P-C4' energy: -153.509
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -146.380
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: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1924.245058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.245058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.821679 (E_RNA)
where:
Base-Base interactions energy: -1276.694
where: short stacking energy: -539.528
Base-Backbone interact. energy: 3.069
local terms energy: -654.196492
where:
bonds (distance) C4'-P energy: -130.711
bonds (distance) P-C4' energy: -134.687
flat angles C4'-P-C4' energy: -164.148
flat angles P-C4'-P energy: -87.989
tors. eta vs tors. theta energy: -136.662
Dist. restrs. and SS energy: 3.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1851.276274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.276274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.320694 (E_RNA)
where:
Base-Base interactions energy: -1254.799
where: short stacking energy: -516.579
Base-Backbone interact. energy: -2.341
local terms energy: -598.180747
where:
bonds (distance) C4'-P energy: -135.428
bonds (distance) P-C4' energy: -132.093
flat angles C4'-P-C4' energy: -128.851
flat angles P-C4'-P energy: -86.913
tors. eta vs tors. theta energy: -114.895
Dist. restrs. and SS energy: 4.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2902.231506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.231506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.545373 (E_RNA)
where:
Base-Base interactions energy: -2026.016
where: short stacking energy: -862.426
Base-Backbone interact. energy: -0.459
local terms energy: -878.070126
where:
bonds (distance) C4'-P energy: -166.013
bonds (distance) P-C4' energy: -148.785
flat angles C4'-P-C4' energy: -179.099
flat angles P-C4'-P energy: -124.950
tors. eta vs tors. theta energy: -259.223
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: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2796.221613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.221613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.233785 (E_RNA)
where:
Base-Base interactions energy: -1977.847
where: short stacking energy: -792.238
Base-Backbone interact. energy: 4.181
local terms energy: -825.567668
where:
bonds (distance) C4'-P energy: -161.648
bonds (distance) P-C4' energy: -151.567
flat angles C4'-P-C4' energy: -174.446
flat angles P-C4'-P energy: -102.101
tors. eta vs tors. theta energy: -235.805
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: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2714.565881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.565881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.581997 (E_RNA)
where:
Base-Base interactions energy: -1894.862
where: short stacking energy: -777.619
Base-Backbone interact. energy: 2.396
local terms energy: -824.116447
where:
bonds (distance) C4'-P energy: -142.404
bonds (distance) P-C4' energy: -157.651
flat angles C4'-P-C4' energy: -191.895
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -222.776
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2570.918833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.918833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.500788 (E_RNA)
where:
Base-Base interactions energy: -1764.937
where: short stacking energy: -724.985
Base-Backbone interact. energy: -1.903
local terms energy: -805.661379
where:
bonds (distance) C4'-P energy: -149.544
bonds (distance) P-C4' energy: -152.236
flat angles C4'-P-C4' energy: -166.585
flat angles P-C4'-P energy: -127.991
tors. eta vs tors. theta energy: -209.305
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: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2364.905101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.905101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.462395 (E_RNA)
where:
Base-Base interactions energy: -1610.301
where: short stacking energy: -680.996
Base-Backbone interact. energy: -4.421
local terms energy: -751.740552
where:
bonds (distance) C4'-P energy: -155.348
bonds (distance) P-C4' energy: -153.809
flat angles C4'-P-C4' energy: -150.743
flat angles P-C4'-P energy: -96.550
tors. eta vs tors. theta energy: -195.291
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: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2177.804542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.804542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.639786 (E_RNA)
where:
Base-Base interactions energy: -1430.367
where: short stacking energy: -647.673
Base-Backbone interact. energy: 7.405
local terms energy: -756.677546
where:
bonds (distance) C4'-P energy: -144.556
bonds (distance) P-C4' energy: -158.516
flat angles C4'-P-C4' energy: -157.802
flat angles P-C4'-P energy: -110.166
tors. eta vs tors. theta energy: -185.636
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: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2131.287643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.287643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.168828 (E_RNA)
where:
Base-Base interactions energy: -1436.253
where: short stacking energy: -638.052
Base-Backbone interact. energy: -1.365
local terms energy: -696.550387
where:
bonds (distance) C4'-P energy: -122.557
bonds (distance) P-C4' energy: -127.690
flat angles C4'-P-C4' energy: -175.916
flat angles P-C4'-P energy: -98.486
tors. eta vs tors. theta energy: -171.901
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: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2034.507723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.507723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.655526 (E_RNA)
where:
Base-Base interactions energy: -1358.785
where: short stacking energy: -581.571
Base-Backbone interact. energy: -1.336
local terms energy: -676.534519
where:
bonds (distance) C4'-P energy: -128.883
bonds (distance) P-C4' energy: -144.774
flat angles C4'-P-C4' energy: -143.750
flat angles P-C4'-P energy: -91.601
tors. eta vs tors. theta energy: -167.526
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: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1894.013296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.013296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.345526 (E_RNA)
where:
Base-Base interactions energy: -1282.113
where: short stacking energy: -527.551
Base-Backbone interact. energy: -0.031
local terms energy: -615.201767
where:
bonds (distance) C4'-P energy: -120.567
bonds (distance) P-C4' energy: -118.747
flat angles C4'-P-C4' energy: -143.078
flat angles P-C4'-P energy: -88.413
tors. eta vs tors. theta energy: -144.397
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: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1896.026504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.026504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.259717 (E_RNA)
where:
Base-Base interactions energy: -1305.838
where: short stacking energy: -531.666
Base-Backbone interact. energy: 1.919
local terms energy: -597.340302
where:
bonds (distance) C4'-P energy: -125.797
bonds (distance) P-C4' energy: -102.712
flat angles C4'-P-C4' energy: -136.843
flat angles P-C4'-P energy: -106.172
tors. eta vs tors. theta energy: -125.816
Dist. restrs. and SS energy: 5.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2885.040966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.040966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.713053 (E_RNA)
where:
Base-Base interactions energy: -1993.887
where: short stacking energy: -847.331
Base-Backbone interact. energy: 0.358
local terms energy: -894.183837
where:
bonds (distance) C4'-P energy: -162.624
bonds (distance) P-C4' energy: -165.446
flat angles C4'-P-C4' energy: -191.672
flat angles P-C4'-P energy: -127.814
tors. eta vs tors. theta energy: -246.629
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: 2, replica: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2846.562572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.562572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.156355 (E_RNA)
where:
Base-Base interactions energy: -2015.214
where: short stacking energy: -824.492
Base-Backbone interact. energy: -4.860
local terms energy: -829.081855
where:
bonds (distance) C4'-P energy: -152.176
bonds (distance) P-C4' energy: -151.786
flat angles C4'-P-C4' energy: -172.773
flat angles P-C4'-P energy: -108.628
tors. eta vs tors. theta energy: -243.718
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: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2686.165983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.165983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.908387 (E_RNA)
where:
Base-Base interactions energy: -1873.168
where: short stacking energy: -770.150
Base-Backbone interact. energy: 3.249
local terms energy: -817.990315
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -152.502
flat angles C4'-P-C4' energy: -178.798
flat angles P-C4'-P energy: -126.321
tors. eta vs tors. theta energy: -215.916
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2600.029450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.029450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.414141 (E_RNA)
where:
Base-Base interactions energy: -1814.354
where: short stacking energy: -770.610
Base-Backbone interact. energy: 10.395
local terms energy: -797.455395
where:
bonds (distance) C4'-P energy: -133.709
bonds (distance) P-C4' energy: -160.873
flat angles C4'-P-C4' energy: -166.510
flat angles P-C4'-P energy: -112.518
tors. eta vs tors. theta energy: -223.845
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2369.351437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.351437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.674348 (E_RNA)
where:
Base-Base interactions energy: -1599.174
where: short stacking energy: -712.135
Base-Backbone interact. energy: -1.982
local terms energy: -769.518251
where:
bonds (distance) C4'-P energy: -137.117
bonds (distance) P-C4' energy: -153.241
flat angles C4'-P-C4' energy: -156.927
flat angles P-C4'-P energy: -100.696
tors. eta vs tors. theta energy: -221.537
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: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2166.347692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.347692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.609106 (E_RNA)
where:
Base-Base interactions energy: -1482.631
where: short stacking energy: -649.783
Base-Backbone interact. energy: -0.395
local terms energy: -685.583953
where:
bonds (distance) C4'-P energy: -113.822
bonds (distance) P-C4' energy: -133.131
flat angles C4'-P-C4' energy: -170.710
flat angles P-C4'-P energy: -88.436
tors. eta vs tors. theta energy: -179.485
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: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2123.267481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.400389 (E_RNA)
where:
Base-Base interactions energy: -1412.334
where: short stacking energy: -623.907
Base-Backbone interact. energy: -2.693
local terms energy: -710.372638
where:
bonds (distance) C4'-P energy: -126.882
bonds (distance) P-C4' energy: -146.142
flat angles C4'-P-C4' energy: -159.827
flat angles P-C4'-P energy: -97.006
tors. eta vs tors. theta energy: -180.516
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: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2010.085181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.085181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.215735 (E_RNA)
where:
Base-Base interactions energy: -1343.411
where: short stacking energy: -566.573
Base-Backbone interact. energy: -0.110
local terms energy: -669.694170
where:
bonds (distance) C4'-P energy: -136.474
bonds (distance) P-C4' energy: -142.467
flat angles C4'-P-C4' energy: -167.602
flat angles P-C4'-P energy: -82.899
tors. eta vs tors. theta energy: -140.252
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1937.839660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.839660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.709913 (E_RNA)
where:
Base-Base interactions energy: -1285.538
where: short stacking energy: -519.694
Base-Backbone interact. energy: 2.868
local terms energy: -657.039659
where:
bonds (distance) C4'-P energy: -142.453
bonds (distance) P-C4' energy: -124.439
flat angles C4'-P-C4' energy: -153.712
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -131.748
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: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1892.067189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.067189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.975797 (E_RNA)
where:
Base-Base interactions energy: -1285.692
where: short stacking energy: -522.714
Base-Backbone interact. energy: -0.038
local terms energy: -610.246569
where:
bonds (distance) C4'-P energy: -124.414
bonds (distance) P-C4' energy: -131.614
flat angles C4'-P-C4' energy: -126.247
flat angles P-C4'-P energy: -83.432
tors. eta vs tors. theta energy: -144.540
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: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2905.952203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.952203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.474814 (E_RNA)
where:
Base-Base interactions energy: -2035.219
where: short stacking energy: -800.239
Base-Backbone interact. energy: -1.346
local terms energy: -871.909827
where:
bonds (distance) C4'-P energy: -157.522
bonds (distance) P-C4' energy: -162.414
flat angles C4'-P-C4' energy: -180.391
flat angles P-C4'-P energy: -132.041
tors. eta vs tors. theta energy: -239.542
Dist. restrs. and SS energy: 2.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2820.659993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.659993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.241066 (E_RNA)
where:
Base-Base interactions energy: -1953.533
where: short stacking energy: -810.334
Base-Backbone interact. energy: 2.051
local terms energy: -870.759628
where:
bonds (distance) C4'-P energy: -130.709
bonds (distance) P-C4' energy: -173.493
flat angles C4'-P-C4' energy: -190.862
flat angles P-C4'-P energy: -124.595
tors. eta vs tors. theta energy: -251.101
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: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2708.556425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.556425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.486146 (E_RNA)
where:
Base-Base interactions energy: -1912.049
where: short stacking energy: -790.273
Base-Backbone interact. energy: -3.008
local terms energy: -795.429854
where:
bonds (distance) C4'-P energy: -148.489
bonds (distance) P-C4' energy: -143.614
flat angles C4'-P-C4' energy: -166.243
flat angles P-C4'-P energy: -112.146
tors. eta vs tors. theta energy: -224.939
Dist. restrs. and SS energy: 1.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2605.178820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.178820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.166346 (E_RNA)
where:
Base-Base interactions energy: -1784.739
where: short stacking energy: -737.650
Base-Backbone interact. energy: -6.669
local terms energy: -815.758027
where:
bonds (distance) C4'-P energy: -150.436
bonds (distance) P-C4' energy: -154.465
flat angles C4'-P-C4' energy: -176.615
flat angles P-C4'-P energy: -106.855
tors. eta vs tors. theta energy: -227.387
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: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2424.988848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.988848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.034930 (E_RNA)
where:
Base-Base interactions energy: -1636.256
where: short stacking energy: -701.772
Base-Backbone interact. energy: 2.503
local terms energy: -793.281758
where:
bonds (distance) C4'-P energy: -136.449
bonds (distance) P-C4' energy: -164.991
flat angles C4'-P-C4' energy: -170.942
flat angles P-C4'-P energy: -121.222
tors. eta vs tors. theta energy: -199.678
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: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2224.408107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.408107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.539528 (E_RNA)
where:
Base-Base interactions energy: -1526.566
where: short stacking energy: -647.417
Base-Backbone interact. energy: -1.019
local terms energy: -698.954410
where:
bonds (distance) C4'-P energy: -147.290
bonds (distance) P-C4' energy: -135.582
flat angles C4'-P-C4' energy: -144.141
flat angles P-C4'-P energy: -97.724
tors. eta vs tors. theta energy: -174.218
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: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2076.262721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.262721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.566892 (E_RNA)
where:
Base-Base interactions energy: -1415.625
where: short stacking energy: -614.879
Base-Backbone interact. energy: -1.170
local terms energy: -661.771886
where:
bonds (distance) C4'-P energy: -129.647
bonds (distance) P-C4' energy: -135.002
flat angles C4'-P-C4' energy: -146.490
flat angles P-C4'-P energy: -84.989
tors. eta vs tors. theta energy: -165.644
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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2031.532052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.532052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.212471 (E_RNA)
where:
Base-Base interactions energy: -1363.069
where: short stacking energy: -602.199
Base-Backbone interact. energy: 3.136
local terms energy: -674.280233
where:
bonds (distance) C4'-P energy: -139.520
bonds (distance) P-C4' energy: -141.939
flat angles C4'-P-C4' energy: -139.936
flat angles P-C4'-P energy: -87.030
tors. eta vs tors. theta energy: -165.855
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: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1933.561045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.561045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.633897 (E_RNA)
where:
Base-Base interactions energy: -1298.245
where: short stacking energy: -539.258
Base-Backbone interact. energy: -2.637
local terms energy: -635.752221
where:
bonds (distance) C4'-P energy: -123.049
bonds (distance) P-C4' energy: -121.178
flat angles C4'-P-C4' energy: -151.242
flat angles P-C4'-P energy: -94.677
tors. eta vs tors. theta energy: -145.606
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: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1865.282663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.282663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.315994 (E_RNA)
where:
Base-Base interactions energy: -1272.028
where: short stacking energy: -528.997
Base-Backbone interact. energy: 1.798
local terms energy: -599.086312
where:
bonds (distance) C4'-P energy: -120.317
bonds (distance) P-C4' energy: -116.595
flat angles C4'-P-C4' energy: -126.800
flat angles P-C4'-P energy: -103.742
tors. eta vs tors. theta energy: -131.632
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2935.907128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.907128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.506350 (E_RNA)
where:
Base-Base interactions energy: -2012.569
where: short stacking energy: -841.255
Base-Backbone interact. energy: -3.909
local terms energy: -922.028931
where:
bonds (distance) C4'-P energy: -168.011
bonds (distance) P-C4' energy: -170.907
flat angles C4'-P-C4' energy: -202.966
flat angles P-C4'-P energy: -130.008
tors. eta vs tors. theta energy: -250.138
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: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2802.214880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.214880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.801032 (E_RNA)
where:
Base-Base interactions energy: -1946.676
where: short stacking energy: -805.598
Base-Backbone interact. energy: 3.382
local terms energy: -861.507788
where:
bonds (distance) C4'-P energy: -154.700
bonds (distance) P-C4' energy: -163.200
flat angles C4'-P-C4' energy: -175.063
flat angles P-C4'-P energy: -130.895
tors. eta vs tors. theta energy: -237.651
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: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2715.203730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.203730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.479198 (E_RNA)
where:
Base-Base interactions energy: -1896.283
where: short stacking energy: -795.673
Base-Backbone interact. energy: 2.638
local terms energy: -822.833872
where:
bonds (distance) C4'-P energy: -150.896
bonds (distance) P-C4' energy: -149.293
flat angles C4'-P-C4' energy: -177.702
flat angles P-C4'-P energy: -110.465
tors. eta vs tors. theta energy: -234.478
Dist. restrs. and SS energy: 1.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2572.609280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.609280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.962912 (E_RNA)
where:
Base-Base interactions energy: -1766.339
where: short stacking energy: -725.508
Base-Backbone interact. energy: -2.557
local terms energy: -807.067506
where:
bonds (distance) C4'-P energy: -141.990
bonds (distance) P-C4' energy: -158.307
flat angles C4'-P-C4' energy: -174.737
flat angles P-C4'-P energy: -111.082
tors. eta vs tors. theta energy: -220.952
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: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2382.413843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.433035 (E_RNA)
where:
Base-Base interactions energy: -1611.130
where: short stacking energy: -696.348
Base-Backbone interact. energy: -2.070
local terms energy: -771.232294
where:
bonds (distance) C4'-P energy: -138.873
bonds (distance) P-C4' energy: -146.932
flat angles C4'-P-C4' energy: -166.018
flat angles P-C4'-P energy: -125.614
tors. eta vs tors. theta energy: -193.797
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: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2213.788215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.788215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.127738 (E_RNA)
where:
Base-Base interactions energy: -1497.084
where: short stacking energy: -667.043
Base-Backbone interact. energy: 3.095
local terms energy: -723.138103
where:
bonds (distance) C4'-P energy: -128.794
bonds (distance) P-C4' energy: -133.005
flat angles C4'-P-C4' energy: -169.166
flat angles P-C4'-P energy: -112.599
tors. eta vs tors. theta energy: -179.574
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2114.144063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.144063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.287151 (E_RNA)
where:
Base-Base interactions energy: -1415.483
where: short stacking energy: -612.918
Base-Backbone interact. energy: -1.911
local terms energy: -699.892384
where:
bonds (distance) C4'-P energy: -143.873
bonds (distance) P-C4' energy: -139.489
flat angles C4'-P-C4' energy: -147.515
flat angles P-C4'-P energy: -101.822
tors. eta vs tors. theta energy: -167.194
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: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1990.657800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.657800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.754751 (E_RNA)
where:
Base-Base interactions energy: -1325.671
where: short stacking energy: -568.408
Base-Backbone interact. energy: 0.365
local terms energy: -667.449013
where:
bonds (distance) C4'-P energy: -122.039
bonds (distance) P-C4' energy: -141.389
flat angles C4'-P-C4' energy: -141.860
flat angles P-C4'-P energy: -111.545
tors. eta vs tors. theta energy: -150.616
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: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1951.448008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.448008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.084890 (E_RNA)
where:
Base-Base interactions energy: -1316.404
where: short stacking energy: -538.185
Base-Backbone interact. energy: -1.027
local terms energy: -636.653626
where:
bonds (distance) C4'-P energy: -134.929
bonds (distance) P-C4' energy: -139.308
flat angles C4'-P-C4' energy: -136.557
flat angles P-C4'-P energy: -90.920
tors. eta vs tors. theta energy: -134.940
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1830.295767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.295767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.325816 (E_RNA)
where:
Base-Base interactions energy: -1240.536
where: short stacking energy: -513.699
Base-Backbone interact. energy: -2.075
local terms energy: -590.714574
where:
bonds (distance) C4'-P energy: -132.955
bonds (distance) P-C4' energy: -118.058
flat angles C4'-P-C4' energy: -138.111
flat angles P-C4'-P energy: -88.340
tors. eta vs tors. theta energy: -113.250
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: 440
Temperature: 0.900000
Total energy: -2913.638049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.638049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.763168 (E_RNA)
where:
Base-Base interactions energy: -2088.165
where: short stacking energy: -839.151
Base-Backbone interact. energy: 0.692
local terms energy: -828.290899
where:
bonds (distance) C4'-P energy: -165.323
bonds (distance) P-C4' energy: -148.450
flat angles C4'-P-C4' energy: -175.192
flat angles P-C4'-P energy: -104.728
tors. eta vs tors. theta energy: -234.597
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2823.757220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.757220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.471081 (E_RNA)
where:
Base-Base interactions energy: -1974.899
where: short stacking energy: -824.226
Base-Backbone interact. energy: 4.901
local terms energy: -855.473606
where:
bonds (distance) C4'-P energy: -158.174
bonds (distance) P-C4' energy: -158.067
flat angles C4'-P-C4' energy: -184.403
flat angles P-C4'-P energy: -125.362
tors. eta vs tors. theta energy: -229.466
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: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2750.140502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.140502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.628733 (E_RNA)
where:
Base-Base interactions energy: -1912.606
where: short stacking energy: -772.122
Base-Backbone interact. energy: 0.886
local terms energy: -839.908791
where:
bonds (distance) C4'-P energy: -162.748
bonds (distance) P-C4' energy: -140.617
flat angles C4'-P-C4' energy: -187.993
flat angles P-C4'-P energy: -129.287
tors. eta vs tors. theta energy: -219.264
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2528.730103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.730103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.317116 (E_RNA)
where:
Base-Base interactions energy: -1754.253
where: short stacking energy: -749.510
Base-Backbone interact. energy: -2.620
local terms energy: -773.444359
where:
bonds (distance) C4'-P energy: -135.291
bonds (distance) P-C4' energy: -139.800
flat angles C4'-P-C4' energy: -164.909
flat angles P-C4'-P energy: -120.613
tors. eta vs tors. theta energy: -212.830
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: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2384.060323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.060323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.179228 (E_RNA)
where:
Base-Base interactions energy: -1638.430
where: short stacking energy: -690.421
Base-Backbone interact. energy: 1.221
local terms energy: -748.970461
where:
bonds (distance) C4'-P energy: -129.867
bonds (distance) P-C4' energy: -147.946
flat angles C4'-P-C4' energy: -161.307
flat angles P-C4'-P energy: -106.122
tors. eta vs tors. theta energy: -203.729
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: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2180.312142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.312142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.127027 (E_RNA)
where:
Base-Base interactions energy: -1486.149
where: short stacking energy: -650.301
Base-Backbone interact. energy: -2.347
local terms energy: -694.631516
where:
bonds (distance) C4'-P energy: -144.565
bonds (distance) P-C4' energy: -135.008
flat angles C4'-P-C4' energy: -158.360
flat angles P-C4'-P energy: -93.353
tors. eta vs tors. theta energy: -163.345
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2095.655237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.655237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.983003 (E_RNA)
where:
Base-Base interactions energy: -1405.186
where: short stacking energy: -615.165
Base-Backbone interact. energy: -3.531
local terms energy: -689.265478
where:
bonds (distance) C4'-P energy: -126.435
bonds (distance) P-C4' energy: -146.428
flat angles C4'-P-C4' energy: -146.107
flat angles P-C4'-P energy: -107.817
tors. eta vs tors. theta energy: -162.479
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: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1980.738033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.738033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.446548 (E_RNA)
where:
Base-Base interactions energy: -1350.448
where: short stacking energy: -554.036
Base-Backbone interact. energy: 0.976
local terms energy: -633.974617
where:
bonds (distance) C4'-P energy: -138.993
bonds (distance) P-C4' energy: -115.061
flat angles C4'-P-C4' energy: -136.100
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -152.603
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: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1984.622625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.622625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.504633 (E_RNA)
where:
Base-Base interactions energy: -1341.105
where: short stacking energy: -562.527
Base-Backbone interact. energy: -3.220
local terms energy: -643.180078
where:
bonds (distance) C4'-P energy: -141.348
bonds (distance) P-C4' energy: -139.112
flat angles C4'-P-C4' energy: -127.477
flat angles P-C4'-P energy: -84.223
tors. eta vs tors. theta energy: -151.020
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1813.652938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.652938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.049412 (E_RNA)
where:
Base-Base interactions energy: -1264.602
where: short stacking energy: -514.219
Base-Backbone interact. energy: 9.439
local terms energy: -560.886106
where:
bonds (distance) C4'-P energy: -107.031
bonds (distance) P-C4' energy: -119.319
flat angles C4'-P-C4' energy: -125.800
flat angles P-C4'-P energy: -83.273
tors. eta vs tors. theta energy: -125.462
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: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2879.510941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.250432 (E_RNA)
where:
Base-Base interactions energy: -1998.358
where: short stacking energy: -829.517
Base-Backbone interact. energy: 0.454
local terms energy: -884.346836
where:
bonds (distance) C4'-P energy: -162.420
bonds (distance) P-C4' energy: -164.266
flat angles C4'-P-C4' energy: -193.024
flat angles P-C4'-P energy: -121.800
tors. eta vs tors. theta energy: -242.837
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: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2838.365261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.365261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.869171 (E_RNA)
where:
Base-Base interactions energy: -2014.913
where: short stacking energy: -835.691
Base-Backbone interact. energy: 0.446
local terms energy: -826.402114
where:
bonds (distance) C4'-P energy: -147.012
bonds (distance) P-C4' energy: -154.602
flat angles C4'-P-C4' energy: -178.119
flat angles P-C4'-P energy: -104.745
tors. eta vs tors. theta energy: -241.924
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: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2687.432928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.432928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.185301 (E_RNA)
where:
Base-Base interactions energy: -1883.074
where: short stacking energy: -778.676
Base-Backbone interact. energy: -2.747
local terms energy: -803.364404
where:
bonds (distance) C4'-P energy: -147.553
bonds (distance) P-C4' energy: -143.564
flat angles C4'-P-C4' energy: -175.254
flat angles P-C4'-P energy: -114.093
tors. eta vs tors. theta energy: -222.901
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2519.264289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.264289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.326023 (E_RNA)
where:
Base-Base interactions energy: -1736.971
where: short stacking energy: -737.560
Base-Backbone interact. energy: 2.197
local terms energy: -786.551469
where:
bonds (distance) C4'-P energy: -155.168
bonds (distance) P-C4' energy: -126.666
flat angles C4'-P-C4' energy: -166.445
flat angles P-C4'-P energy: -121.044
tors. eta vs tors. theta energy: -217.229
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: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2392.326735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.326735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.704488 (E_RNA)
where:
Base-Base interactions energy: -1685.810
where: short stacking energy: -701.415
Base-Backbone interact. energy: -1.251
local terms energy: -706.643146
where:
bonds (distance) C4'-P energy: -125.464
bonds (distance) P-C4' energy: -123.377
flat angles C4'-P-C4' energy: -161.555
flat angles P-C4'-P energy: -102.295
tors. eta vs tors. theta energy: -193.951
Dist. restrs. and SS energy: 1.378 (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: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2244.802718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.802718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.154170 (E_RNA)
where:
Base-Base interactions energy: -1515.790
where: short stacking energy: -642.315
Base-Backbone interact. energy: 2.756
local terms energy: -734.120287
where:
bonds (distance) C4'-P energy: -145.767
bonds (distance) P-C4' energy: -144.849
flat angles C4'-P-C4' energy: -153.320
flat angles P-C4'-P energy: -113.465
tors. eta vs tors. theta energy: -176.719
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2089.280267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.280267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.446840 (E_RNA)
where:
Base-Base interactions energy: -1412.291
where: short stacking energy: -607.560
Base-Backbone interact. energy: 2.800
local terms energy: -681.955306
where:
bonds (distance) C4'-P energy: -132.130
bonds (distance) P-C4' energy: -146.365
flat angles C4'-P-C4' energy: -150.103
flat angles P-C4'-P energy: -97.333
tors. eta vs tors. theta energy: -156.024
Dist. restrs. and SS energy: 2.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2036.998189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.998189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.387832 (E_RNA)
where:
Base-Base interactions energy: -1395.696
where: short stacking energy: -616.833
Base-Backbone interact. energy: 5.975
local terms energy: -649.667172
where:
bonds (distance) C4'-P energy: -134.772
bonds (distance) P-C4' energy: -113.677
flat angles C4'-P-C4' energy: -140.471
flat angles P-C4'-P energy: -80.098
tors. eta vs tors. theta energy: -180.649
Dist. restrs. and SS energy: 2.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1950.188809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.188809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.992611 (E_RNA)
where:
Base-Base interactions energy: -1296.503
where: short stacking energy: -531.173
Base-Backbone interact. energy: -0.726
local terms energy: -656.764183
where:
bonds (distance) C4'-P energy: -143.511
bonds (distance) P-C4' energy: -142.411
flat angles C4'-P-C4' energy: -149.772
flat angles P-C4'-P energy: -87.966
tors. eta vs tors. theta energy: -133.105
Dist. restrs. and SS energy: 3.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1848.257908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.257908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.563218 (E_RNA)
where:
Base-Base interactions energy: -1274.796
where: short stacking energy: -567.866
Base-Backbone interact. energy: -2.733
local terms energy: -581.034554
where:
bonds (distance) C4'-P energy: -111.501
bonds (distance) P-C4' energy: -129.154
flat angles C4'-P-C4' energy: -136.349
flat angles P-C4'-P energy: -59.290
tors. eta vs tors. theta energy: -144.740
Dist. restrs. and SS energy: 10.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2914.294669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.294669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.167609 (E_RNA)
where:
Base-Base interactions energy: -2043.074
where: short stacking energy: -867.259
Base-Backbone interact. energy: -5.384
local terms energy: -868.709048
where:
bonds (distance) C4'-P energy: -164.628
bonds (distance) P-C4' energy: -158.902
flat angles C4'-P-C4' energy: -187.185
flat angles P-C4'-P energy: -112.157
tors. eta vs tors. theta energy: -245.837
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2868.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.016811 (E_RNA)
where:
Base-Base interactions energy: -1979.820
where: short stacking energy: -819.712
Base-Backbone interact. energy: -0.020
local terms energy: -890.177458
where:
bonds (distance) C4'-P energy: -156.918
bonds (distance) P-C4' energy: -155.592
flat angles C4'-P-C4' energy: -185.385
flat angles P-C4'-P energy: -132.837
tors. eta vs tors. theta energy: -259.445
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2660.744281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.744281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.710480 (E_RNA)
where:
Base-Base interactions energy: -1867.608
where: short stacking energy: -752.578
Base-Backbone interact. energy: -0.644
local terms energy: -793.457959
where:
bonds (distance) C4'-P energy: -145.127
bonds (distance) P-C4' energy: -158.025
flat angles C4'-P-C4' energy: -170.994
flat angles P-C4'-P energy: -106.637
tors. eta vs tors. theta energy: -212.674
Dist. restrs. and SS energy: 0.966 (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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2540.867774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.867774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.535613 (E_RNA)
where:
Base-Base interactions energy: -1745.935
where: short stacking energy: -731.492
Base-Backbone interact. energy: 5.182
local terms energy: -801.783454
where:
bonds (distance) C4'-P energy: -152.837
bonds (distance) P-C4' energy: -153.036
flat angles C4'-P-C4' energy: -174.762
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -213.484
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: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2385.321984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.842823 (E_RNA)
where:
Base-Base interactions energy: -1658.749
where: short stacking energy: -719.494
Base-Backbone interact. energy: 1.709
local terms energy: -730.802834
where:
bonds (distance) C4'-P energy: -131.721
bonds (distance) P-C4' energy: -155.357
flat angles C4'-P-C4' energy: -147.639
flat angles P-C4'-P energy: -100.181
tors. eta vs tors. theta energy: -195.904
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2186.106776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.106776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.780751 (E_RNA)
where:
Base-Base interactions energy: -1448.520
where: short stacking energy: -625.583
Base-Backbone interact. energy: -1.803
local terms energy: -737.457586
where:
bonds (distance) C4'-P energy: -141.157
bonds (distance) P-C4' energy: -147.746
flat angles C4'-P-C4' energy: -181.283
flat angles P-C4'-P energy: -107.038
tors. eta vs tors. theta energy: -160.233
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2149.594629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.594629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.367644 (E_RNA)
where:
Base-Base interactions energy: -1487.598
where: short stacking energy: -626.403
Base-Backbone interact. energy: 0.798
local terms energy: -664.567265
where:
bonds (distance) C4'-P energy: -131.569
bonds (distance) P-C4' energy: -117.765
flat angles C4'-P-C4' energy: -131.636
flat angles P-C4'-P energy: -103.236
tors. eta vs tors. theta energy: -180.361
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2011.927193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.927193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.070807 (E_RNA)
where:
Base-Base interactions energy: -1357.531
where: short stacking energy: -581.581
Base-Backbone interact. energy: 0.108
local terms energy: -656.647993
where:
bonds (distance) C4'-P energy: -136.898
bonds (distance) P-C4' energy: -124.953
flat angles C4'-P-C4' energy: -136.759
flat angles P-C4'-P energy: -107.833
tors. eta vs tors. theta energy: -150.204
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: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1919.577967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.577967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.184057 (E_RNA)
where:
Base-Base interactions energy: -1307.316
where: short stacking energy: -559.406
Base-Backbone interact. energy: 4.711
local terms energy: -619.578914
where:
bonds (distance) C4'-P energy: -116.685
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -156.028
flat angles P-C4'-P energy: -87.993
tors. eta vs tors. theta energy: -136.685
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: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1848.507048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.507048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.933141 (E_RNA)
where:
Base-Base interactions energy: -1253.613
where: short stacking energy: -516.131
Base-Backbone interact. energy: 1.083
local terms energy: -598.402882
where:
bonds (distance) C4'-P energy: -126.286
bonds (distance) P-C4' energy: -117.378
flat angles C4'-P-C4' energy: -163.331
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -111.383
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: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2890.194756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.194756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.345628 (E_RNA)
where:
Base-Base interactions energy: -1991.432
where: short stacking energy: -820.395
Base-Backbone interact. energy: -1.913
local terms energy: -899.000475
where:
bonds (distance) C4'-P energy: -162.429
bonds (distance) P-C4' energy: -154.409
flat angles C4'-P-C4' energy: -186.224
flat angles P-C4'-P energy: -137.179
tors. eta vs tors. theta energy: -258.759
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: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2836.097186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.097186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.114624 (E_RNA)
where:
Base-Base interactions energy: -1944.037
where: short stacking energy: -817.165
Base-Backbone interact. energy: 0.755
local terms energy: -895.832613
where:
bonds (distance) C4'-P energy: -174.434
bonds (distance) P-C4' energy: -169.342
flat angles C4'-P-C4' energy: -188.789
flat angles P-C4'-P energy: -125.319
tors. eta vs tors. theta energy: -237.950
Dist. restrs. and SS energy: 3.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2725.993814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.993814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.307411 (E_RNA)
where:
Base-Base interactions energy: -1905.090
where: short stacking energy: -757.458
Base-Backbone interact. energy: -4.617
local terms energy: -817.600765
where:
bonds (distance) C4'-P energy: -142.198
bonds (distance) P-C4' energy: -152.274
flat angles C4'-P-C4' energy: -178.186
flat angles P-C4'-P energy: -123.562
tors. eta vs tors. theta energy: -221.382
Dist. restrs. and SS energy: 1.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2538.965945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.965945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.235407 (E_RNA)
where:
Base-Base interactions energy: -1743.764
where: short stacking energy: -746.139
Base-Backbone interact. energy: 3.031
local terms energy: -800.502216
where:
bonds (distance) C4'-P energy: -158.136
bonds (distance) P-C4' energy: -154.078
flat angles C4'-P-C4' energy: -172.714
flat angles P-C4'-P energy: -103.155
tors. eta vs tors. theta energy: -212.418
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: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2373.611289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.611289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.963306 (E_RNA)
where:
Base-Base interactions energy: -1605.498
where: short stacking energy: -676.796
Base-Backbone interact. energy: -0.527
local terms energy: -768.938852
where:
bonds (distance) C4'-P energy: -143.742
bonds (distance) P-C4' energy: -145.834
flat angles C4'-P-C4' energy: -176.647
flat angles P-C4'-P energy: -117.743
tors. eta vs tors. theta energy: -184.973
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2236.391260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.391260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.704173 (E_RNA)
where:
Base-Base interactions energy: -1508.906
where: short stacking energy: -638.810
Base-Backbone interact. energy: -3.209
local terms energy: -725.588981
where:
bonds (distance) C4'-P energy: -141.107
bonds (distance) P-C4' energy: -143.379
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -97.898
tors. eta vs tors. theta energy: -192.968
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: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2114.082549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.082549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.141070 (E_RNA)
where:
Base-Base interactions energy: -1420.284
where: short stacking energy: -601.361
Base-Backbone interact. energy: -0.369
local terms energy: -695.488075
where:
bonds (distance) C4'-P energy: -136.956
bonds (distance) P-C4' energy: -126.139
flat angles C4'-P-C4' energy: -157.057
flat angles P-C4'-P energy: -97.932
tors. eta vs tors. theta energy: -177.404
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2067.095391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.095391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.423688 (E_RNA)
where:
Base-Base interactions energy: -1395.584
where: short stacking energy: -583.558
Base-Backbone interact. energy: -1.836
local terms energy: -672.003954
where:
bonds (distance) C4'-P energy: -131.808
bonds (distance) P-C4' energy: -133.154
flat angles C4'-P-C4' energy: -162.968
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -159.974
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: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1907.359620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.359620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.455588 (E_RNA)
where:
Base-Base interactions energy: -1324.002
where: short stacking energy: -547.976
Base-Backbone interact. energy: 4.552
local terms energy: -591.005582
where:
bonds (distance) C4'-P energy: -117.529
bonds (distance) P-C4' energy: -139.020
flat angles C4'-P-C4' energy: -129.297
flat angles P-C4'-P energy: -69.656
tors. eta vs tors. theta energy: -135.503
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: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1854.166707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.166707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.468298 (E_RNA)
where:
Base-Base interactions energy: -1285.815
where: short stacking energy: -533.527
Base-Backbone interact. energy: 4.615
local terms energy: -575.268689
where:
bonds (distance) C4'-P energy: -122.950
bonds (distance) P-C4' energy: -112.390
flat angles C4'-P-C4' energy: -135.745
flat angles P-C4'-P energy: -78.239
tors. eta vs tors. theta energy: -125.945
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: 444
Temperature: 0.900000
Total energy: -2899.155219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.155219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.113521 (E_RNA)
where:
Base-Base interactions energy: -2009.282
where: short stacking energy: -820.757
Base-Backbone interact. energy: -0.395
local terms energy: -892.436119
where:
bonds (distance) C4'-P energy: -157.493
bonds (distance) P-C4' energy: -177.834
flat angles C4'-P-C4' energy: -188.630
flat angles P-C4'-P energy: -126.643
tors. eta vs tors. theta energy: -241.835
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2867.071418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.071418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.223048 (E_RNA)
where:
Base-Base interactions energy: -2012.676
where: short stacking energy: -879.544
Base-Backbone interact. energy: 1.689
local terms energy: -858.235501
where:
bonds (distance) C4'-P energy: -155.020
bonds (distance) P-C4' energy: -141.620
flat angles C4'-P-C4' energy: -180.447
flat angles P-C4'-P energy: -124.790
tors. eta vs tors. theta energy: -256.360
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: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2679.896127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.896127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.094441 (E_RNA)
where:
Base-Base interactions energy: -1873.979
where: short stacking energy: -751.173
Base-Backbone interact. energy: 5.907
local terms energy: -813.022222
where:
bonds (distance) C4'-P energy: -148.682
bonds (distance) P-C4' energy: -174.693
flat angles C4'-P-C4' energy: -168.523
flat angles P-C4'-P energy: -104.028
tors. eta vs tors. theta energy: -217.097
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: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2543.154263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.154263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.397012 (E_RNA)
where:
Base-Base interactions energy: -1760.619
where: short stacking energy: -747.462
Base-Backbone interact. energy: -0.789
local terms energy: -784.988557
where:
bonds (distance) C4'-P energy: -152.230
bonds (distance) P-C4' energy: -149.595
flat angles C4'-P-C4' energy: -155.329
flat angles P-C4'-P energy: -104.946
tors. eta vs tors. theta energy: -222.889
Dist. restrs. and SS energy: 3.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2316.182038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.182038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.185675 (E_RNA)
where:
Base-Base interactions energy: -1584.791
where: short stacking energy: -681.989
Base-Backbone interact. energy: -4.846
local terms energy: -728.548361
where:
bonds (distance) C4'-P energy: -134.387
bonds (distance) P-C4' energy: -141.228
flat angles C4'-P-C4' energy: -164.172
flat angles P-C4'-P energy: -88.090
tors. eta vs tors. theta energy: -200.671
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: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2264.695228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.695228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.219790 (E_RNA)
where:
Base-Base interactions energy: -1535.521
where: short stacking energy: -672.766
Base-Backbone interact. energy: -1.280
local terms energy: -729.418943
where:
bonds (distance) C4'-P energy: -119.888
bonds (distance) P-C4' energy: -153.797
flat angles C4'-P-C4' energy: -169.834
flat angles P-C4'-P energy: -108.368
tors. eta vs tors. theta energy: -177.533
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2119.588914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.588914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.037171 (E_RNA)
where:
Base-Base interactions energy: -1470.869
where: short stacking energy: -633.580
Base-Backbone interact. energy: 7.055
local terms energy: -661.223225
where:
bonds (distance) C4'-P energy: -124.789
bonds (distance) P-C4' energy: -130.196
flat angles C4'-P-C4' energy: -141.472
flat angles P-C4'-P energy: -96.949
tors. eta vs tors. theta energy: -167.817
Dist. restrs. and SS energy: 5.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2055.355609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.355609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.085648 (E_RNA)
where:
Base-Base interactions energy: -1405.860
where: short stacking energy: -594.043
Base-Backbone interact. energy: 3.212
local terms energy: -655.437665
where:
bonds (distance) C4'-P energy: -121.467
bonds (distance) P-C4' energy: -135.282
flat angles C4'-P-C4' energy: -150.094
flat angles P-C4'-P energy: -90.290
tors. eta vs tors. theta energy: -158.304
Dist. restrs. and SS energy: 2.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1926.179627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.179627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.505782 (E_RNA)
where:
Base-Base interactions energy: -1300.126
where: short stacking energy: -544.718
Base-Backbone interact. energy: 0.368
local terms energy: -629.748243
where:
bonds (distance) C4'-P energy: -147.609
bonds (distance) P-C4' energy: -132.342
flat angles C4'-P-C4' energy: -125.576
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -136.303
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1894.609745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.609745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.966082 (E_RNA)
where:
Base-Base interactions energy: -1316.291
where: short stacking energy: -525.143
Base-Backbone interact. energy: -0.170
local terms energy: -581.505001
where:
bonds (distance) C4'-P energy: -110.957
bonds (distance) P-C4' energy: -133.720
flat angles C4'-P-C4' energy: -133.147
flat angles P-C4'-P energy: -79.820
tors. eta vs tors. theta energy: -123.861
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: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2862.982113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.982113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.991521 (E_RNA)
where:
Base-Base interactions energy: -2028.293
where: short stacking energy: -838.226
Base-Backbone interact. energy: 3.954
local terms energy: -841.652693
where:
bonds (distance) C4'-P energy: -155.489
bonds (distance) P-C4' energy: -133.345
flat angles C4'-P-C4' energy: -182.585
flat angles P-C4'-P energy: -120.033
tors. eta vs tors. theta energy: -250.201
Dist. restrs. and SS energy: 3.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2868.299429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.299429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.740027 (E_RNA)
where:
Base-Base interactions energy: -2005.757
where: short stacking energy: -817.070
Base-Backbone interact. energy: 4.738
local terms energy: -868.720952
where:
bonds (distance) C4'-P energy: -160.373
bonds (distance) P-C4' energy: -143.688
flat angles C4'-P-C4' energy: -187.274
flat angles P-C4'-P energy: -124.142
tors. eta vs tors. theta energy: -253.245
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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2671.418180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.418180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.399541 (E_RNA)
where:
Base-Base interactions energy: -1877.623
where: short stacking energy: -751.205
Base-Backbone interact. energy: -7.821
local terms energy: -787.955727
where:
bonds (distance) C4'-P energy: -140.381
bonds (distance) P-C4' energy: -156.783
flat angles C4'-P-C4' energy: -166.869
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -216.412
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: 445
Temperature: 1.050000
Total energy: -2497.982498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.982498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.250125 (E_RNA)
where:
Base-Base interactions energy: -1706.331
where: short stacking energy: -734.116
Base-Backbone interact. energy: -5.401
local terms energy: -788.517843
where:
bonds (distance) C4'-P energy: -146.557
bonds (distance) P-C4' energy: -149.464
flat angles C4'-P-C4' energy: -182.024
flat angles P-C4'-P energy: -100.872
tors. eta vs tors. theta energy: -209.601
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: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2309.842583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.842583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.288442 (E_RNA)
where:
Base-Base interactions energy: -1564.371
where: short stacking energy: -680.020
Base-Backbone interact. energy: 5.516
local terms energy: -752.433204
where:
bonds (distance) C4'-P energy: -140.694
bonds (distance) P-C4' energy: -134.386
flat angles C4'-P-C4' energy: -158.121
flat angles P-C4'-P energy: -116.540
tors. eta vs tors. theta energy: -202.691
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: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2239.143643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.143643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.576636 (E_RNA)
where:
Base-Base interactions energy: -1523.052
where: short stacking energy: -647.929
Base-Backbone interact. energy: -2.624
local terms energy: -714.900007
where:
bonds (distance) C4'-P energy: -144.076
bonds (distance) P-C4' energy: -150.840
flat angles C4'-P-C4' energy: -155.008
flat angles P-C4'-P energy: -104.347
tors. eta vs tors. theta energy: -160.630
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: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2125.129118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.129118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.623376 (E_RNA)
where:
Base-Base interactions energy: -1440.150
where: short stacking energy: -602.397
Base-Backbone interact. energy: 6.084
local terms energy: -695.557403
where:
bonds (distance) C4'-P energy: -128.236
bonds (distance) P-C4' energy: -148.172
flat angles C4'-P-C4' energy: -150.927
flat angles P-C4'-P energy: -91.511
tors. eta vs tors. theta energy: -176.712
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -2029.439145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.439145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.811872 (E_RNA)
where:
Base-Base interactions energy: -1390.832
where: short stacking energy: -575.745
Base-Backbone interact. energy: -2.175
local terms energy: -639.804302
where:
bonds (distance) C4'-P energy: -132.962
bonds (distance) P-C4' energy: -114.358
flat angles C4'-P-C4' energy: -146.238
flat angles P-C4'-P energy: -86.533
tors. eta vs tors. theta energy: -159.714
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1947.512688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.512688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.413716 (E_RNA)
where:
Base-Base interactions energy: -1323.208
where: short stacking energy: -557.077
Base-Backbone interact. energy: 0.770
local terms energy: -626.975771
where:
bonds (distance) C4'-P energy: -108.456
bonds (distance) P-C4' energy: -130.541
flat angles C4'-P-C4' energy: -156.069
flat angles P-C4'-P energy: -86.930
tors. eta vs tors. theta energy: -144.981
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: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1830.134583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.134583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.851124 (E_RNA)
where:
Base-Base interactions energy: -1242.383
where: short stacking energy: -501.342
Base-Backbone interact. energy: 5.132
local terms energy: -596.600020
where:
bonds (distance) C4'-P energy: -136.811
bonds (distance) P-C4' energy: -134.064
flat angles C4'-P-C4' energy: -136.971
flat angles P-C4'-P energy: -96.417
tors. eta vs tors. theta energy: -92.338
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: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2897.853869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.853869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.120302 (E_RNA)
where:
Base-Base interactions energy: -2034.598
where: short stacking energy: -844.950
Base-Backbone interact. energy: 0.206
local terms energy: -865.728388
where:
bonds (distance) C4'-P energy: -145.947
bonds (distance) P-C4' energy: -175.845
flat angles C4'-P-C4' energy: -185.316
flat angles P-C4'-P energy: -117.159
tors. eta vs tors. theta energy: -241.462
Dist. restrs. and SS energy: 2.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2863.730993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.730993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.169093 (E_RNA)
where:
Base-Base interactions energy: -1994.667
where: short stacking energy: -831.573
Base-Backbone interact. energy: -0.713
local terms energy: -870.788517
where:
bonds (distance) C4'-P energy: -154.116
bonds (distance) P-C4' energy: -165.344
flat angles C4'-P-C4' energy: -188.019
flat angles P-C4'-P energy: -128.437
tors. eta vs tors. theta energy: -234.872
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: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2669.096736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.096736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.243644 (E_RNA)
where:
Base-Base interactions energy: -1850.920
where: short stacking energy: -774.066
Base-Backbone interact. energy: -3.402
local terms energy: -816.921716
where:
bonds (distance) C4'-P energy: -156.553
bonds (distance) P-C4' energy: -152.477
flat angles C4'-P-C4' energy: -181.770
flat angles P-C4'-P energy: -111.037
tors. eta vs tors. theta energy: -215.085
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: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2540.516687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.516687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.978019 (E_RNA)
where:
Base-Base interactions energy: -1751.764
where: short stacking energy: -738.368
Base-Backbone interact. energy: -3.048
local terms energy: -788.166232
where:
bonds (distance) C4'-P energy: -145.076
bonds (distance) P-C4' energy: -142.528
flat angles C4'-P-C4' energy: -181.559
flat angles P-C4'-P energy: -106.185
tors. eta vs tors. theta energy: -212.817
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: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2299.872834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.872834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.289675 (E_RNA)
where:
Base-Base interactions energy: -1551.457
where: short stacking energy: -649.483
Base-Backbone interact. energy: -4.287
local terms energy: -745.545975
where:
bonds (distance) C4'-P energy: -151.256
bonds (distance) P-C4' energy: -149.285
flat angles C4'-P-C4' energy: -166.096
flat angles P-C4'-P energy: -107.571
tors. eta vs tors. theta energy: -171.339
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2249.839769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.839769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.794303 (E_RNA)
where:
Base-Base interactions energy: -1555.877
where: short stacking energy: -680.404
Base-Backbone interact. energy: -0.255
local terms energy: -695.662147
where:
bonds (distance) C4'-P energy: -141.101
bonds (distance) P-C4' energy: -130.828
flat angles C4'-P-C4' energy: -150.073
flat angles P-C4'-P energy: -85.314
tors. eta vs tors. theta energy: -188.346
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: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2195.014793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.014793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.491339 (E_RNA)
where:
Base-Base interactions energy: -1481.745
where: short stacking energy: -645.217
Base-Backbone interact. energy: -0.239
local terms energy: -714.507766
where:
bonds (distance) C4'-P energy: -133.104
bonds (distance) P-C4' energy: -144.210
flat angles C4'-P-C4' energy: -156.221
flat angles P-C4'-P energy: -102.840
tors. eta vs tors. theta energy: -178.133
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2049.233661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.233661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.054795 (E_RNA)
where:
Base-Base interactions energy: -1370.280
where: short stacking energy: -592.359
Base-Backbone interact. energy: 0.516
local terms energy: -681.290116
where:
bonds (distance) C4'-P energy: -136.458
bonds (distance) P-C4' energy: -133.331
flat angles C4'-P-C4' energy: -151.015
flat angles P-C4'-P energy: -90.757
tors. eta vs tors. theta energy: -169.730
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1930.640096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.640096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.586613 (E_RNA)
where:
Base-Base interactions energy: -1345.016
where: short stacking energy: -554.790
Base-Backbone interact. energy: 0.434
local terms energy: -588.004765
where:
bonds (distance) C4'-P energy: -124.669
bonds (distance) P-C4' energy: -118.879
flat angles C4'-P-C4' energy: -122.783
flat angles P-C4'-P energy: -94.994
tors. eta vs tors. theta energy: -126.679
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: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1844.244747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.244747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.430995 (E_RNA)
where:
Base-Base interactions energy: -1261.016
where: short stacking energy: -520.822
Base-Backbone interact. energy: 6.621
local terms energy: -593.035679
where:
bonds (distance) C4'-P energy: -108.872
bonds (distance) P-C4' energy: -125.530
flat angles C4'-P-C4' energy: -157.746
flat angles P-C4'-P energy: -72.205
tors. eta vs tors. theta energy: -128.683
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: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2913.750283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.750283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.083890 (E_RNA)
where:
Base-Base interactions energy: -2015.780
where: short stacking energy: -841.637
Base-Backbone interact. energy: -4.245
local terms energy: -896.058752
where:
bonds (distance) C4'-P energy: -163.681
bonds (distance) P-C4' energy: -169.084
flat angles C4'-P-C4' energy: -192.226
flat angles P-C4'-P energy: -116.324
tors. eta vs tors. theta energy: -254.744
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: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2841.323756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.323756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.237188 (E_RNA)
where:
Base-Base interactions energy: -1980.535
where: short stacking energy: -812.179
Base-Backbone interact. energy: 1.501
local terms energy: -864.202622
where:
bonds (distance) C4'-P energy: -145.402
bonds (distance) P-C4' energy: -162.402
flat angles C4'-P-C4' energy: -185.342
flat angles P-C4'-P energy: -118.289
tors. eta vs tors. theta energy: -252.768
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: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2692.820246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.820246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.759187 (E_RNA)
where:
Base-Base interactions energy: -1902.279
where: short stacking energy: -778.930
Base-Backbone interact. energy: 0.927
local terms energy: -793.407383
where:
bonds (distance) C4'-P energy: -128.622
bonds (distance) P-C4' energy: -152.752
flat angles C4'-P-C4' energy: -179.890
flat angles P-C4'-P energy: -109.454
tors. eta vs tors. theta energy: -222.690
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: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2572.335757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.335757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.783518 (E_RNA)
where:
Base-Base interactions energy: -1769.886
where: short stacking energy: -753.960
Base-Backbone interact. energy: -5.663
local terms energy: -798.235190
where:
bonds (distance) C4'-P energy: -135.372
bonds (distance) P-C4' energy: -172.789
flat angles C4'-P-C4' energy: -167.376
flat angles P-C4'-P energy: -104.516
tors. eta vs tors. theta energy: -218.182
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: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2319.380544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.380544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.614292 (E_RNA)
where:
Base-Base interactions energy: -1567.674
where: short stacking energy: -688.866
Base-Backbone interact. energy: -0.454
local terms energy: -754.486408
where:
bonds (distance) C4'-P energy: -146.740
bonds (distance) P-C4' energy: -154.621
flat angles C4'-P-C4' energy: -156.269
flat angles P-C4'-P energy: -100.213
tors. eta vs tors. theta energy: -196.643
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2320.452345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.452345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.032615 (E_RNA)
where:
Base-Base interactions energy: -1566.972
where: short stacking energy: -641.734
Base-Backbone interact. energy: 0.079
local terms energy: -756.140344
where:
bonds (distance) C4'-P energy: -143.612
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -156.314
flat angles P-C4'-P energy: -117.555
tors. eta vs tors. theta energy: -187.663
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2129.065741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.065741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.801210 (E_RNA)
where:
Base-Base interactions energy: -1459.848
where: short stacking energy: -616.063
Base-Backbone interact. energy: 0.187
local terms energy: -671.139660
where:
bonds (distance) C4'-P energy: -141.475
bonds (distance) P-C4' energy: -119.348
flat angles C4'-P-C4' energy: -157.875
flat angles P-C4'-P energy: -80.888
tors. eta vs tors. theta energy: -171.553
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: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2043.300980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.999109 (E_RNA)
where:
Base-Base interactions energy: -1369.927
where: short stacking energy: -579.707
Base-Backbone interact. energy: -2.730
local terms energy: -673.341439
where:
bonds (distance) C4'-P energy: -148.841
bonds (distance) P-C4' energy: -141.180
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -154.057
Dist. restrs. and SS energy: 2.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1886.423562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.110844 (E_RNA)
where:
Base-Base interactions energy: -1307.695
where: short stacking energy: -547.965
Base-Backbone interact. energy: 2.618
local terms energy: -586.034472
where:
bonds (distance) C4'-P energy: -116.149
bonds (distance) P-C4' energy: -126.181
flat angles C4'-P-C4' energy: -133.950
flat angles P-C4'-P energy: -67.882
tors. eta vs tors. theta energy: -141.872
Dist. restrs. and SS energy: 4.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1883.633251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.633251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.524452 (E_RNA)
where:
Base-Base interactions energy: -1285.403
where: short stacking energy: -543.148
Base-Backbone interact. energy: -0.540
local terms energy: -601.581160
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -131.864
flat angles C4'-P-C4' energy: -125.703
flat angles P-C4'-P energy: -89.359
tors. eta vs tors. theta energy: -130.875
Dist. restrs. and SS energy: 3.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2899.902134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.902134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.614339 (E_RNA)
where:
Base-Base interactions energy: -2000.244
where: short stacking energy: -839.487
Base-Backbone interact. energy: 0.693
local terms energy: -902.062672
where:
bonds (distance) C4'-P energy: -171.320
bonds (distance) P-C4' energy: -182.168
flat angles C4'-P-C4' energy: -182.591
flat angles P-C4'-P energy: -123.543
tors. eta vs tors. theta energy: -242.441
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2858.380285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.380285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.465136 (E_RNA)
where:
Base-Base interactions energy: -1986.334
where: short stacking energy: -835.007
Base-Backbone interact. energy: 7.951
local terms energy: -881.082065
where:
bonds (distance) C4'-P energy: -154.839
bonds (distance) P-C4' energy: -166.395
flat angles C4'-P-C4' energy: -191.960
flat angles P-C4'-P energy: -126.551
tors. eta vs tors. theta energy: -241.336
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: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2713.043957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.043957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.574656 (E_RNA)
where:
Base-Base interactions energy: -1892.184
where: short stacking energy: -807.939
Base-Backbone interact. energy: 0.730
local terms energy: -824.119865
where:
bonds (distance) C4'-P energy: -157.437
bonds (distance) P-C4' energy: -145.787
flat angles C4'-P-C4' energy: -172.487
flat angles P-C4'-P energy: -113.493
tors. eta vs tors. theta energy: -234.915
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: 448
Temperature: 1.050000
Total energy: -2553.306526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.306526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.201012 (E_RNA)
where:
Base-Base interactions energy: -1747.872
where: short stacking energy: -725.239
Base-Backbone interact. energy: 9.600
local terms energy: -816.928665
where:
bonds (distance) C4'-P energy: -150.892
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -166.507
flat angles P-C4'-P energy: -118.680
tors. eta vs tors. theta energy: -227.757
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2341.375656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.375656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.494899 (E_RNA)
where:
Base-Base interactions energy: -1587.646
where: short stacking energy: -673.060
Base-Backbone interact. energy: -2.763
local terms energy: -753.085451
where:
bonds (distance) C4'-P energy: -131.121
bonds (distance) P-C4' energy: -155.534
flat angles C4'-P-C4' energy: -152.426
flat angles P-C4'-P energy: -121.983
tors. eta vs tors. theta energy: -192.021
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2268.762469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.762469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.295136 (E_RNA)
where:
Base-Base interactions energy: -1537.997
where: short stacking energy: -667.810
Base-Backbone interact. energy: -3.826
local terms energy: -729.472106
where:
bonds (distance) C4'-P energy: -144.365
bonds (distance) P-C4' energy: -130.493
flat angles C4'-P-C4' energy: -167.800
flat angles P-C4'-P energy: -100.782
tors. eta vs tors. theta energy: -186.032
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: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2166.676641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.676641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.581894 (E_RNA)
where:
Base-Base interactions energy: -1462.146
where: short stacking energy: -629.694
Base-Backbone interact. energy: -0.760
local terms energy: -705.675765
where:
bonds (distance) C4'-P energy: -137.846
bonds (distance) P-C4' energy: -127.065
flat angles C4'-P-C4' energy: -161.021
flat angles P-C4'-P energy: -110.357
tors. eta vs tors. theta energy: -169.386
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1996.059411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.059411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.666495 (E_RNA)
where:
Base-Base interactions energy: -1369.139
where: short stacking energy: -564.009
Base-Backbone interact. energy: -0.061
local terms energy: -629.467049
where:
bonds (distance) C4'-P energy: -131.495
bonds (distance) P-C4' energy: -140.407
flat angles C4'-P-C4' energy: -125.336
flat angles P-C4'-P energy: -91.408
tors. eta vs tors. theta energy: -140.821
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1889.114626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.114626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.774121 (E_RNA)
where:
Base-Base interactions energy: -1287.130
where: short stacking energy: -541.283
Base-Backbone interact. energy: -1.387
local terms energy: -603.256915
where:
bonds (distance) C4'-P energy: -120.739
bonds (distance) P-C4' energy: -129.510
flat angles C4'-P-C4' energy: -130.088
flat angles P-C4'-P energy: -94.895
tors. eta vs tors. theta energy: -128.026
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1881.317143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.317143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.825724 (E_RNA)
where:
Base-Base interactions energy: -1300.544
where: short stacking energy: -555.687
Base-Backbone interact. energy: -2.316
local terms energy: -580.965738
where:
bonds (distance) C4'-P energy: -109.613
bonds (distance) P-C4' energy: -97.646
flat angles C4'-P-C4' energy: -134.590
flat angles P-C4'-P energy: -90.073
tors. eta vs tors. theta energy: -149.043
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: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2903.593396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.593396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.142477 (E_RNA)
where:
Base-Base interactions energy: -2043.052
where: short stacking energy: -851.293
Base-Backbone interact. energy: 1.152
local terms energy: -863.241843
where:
bonds (distance) C4'-P energy: -133.689
bonds (distance) P-C4' energy: -162.701
flat angles C4'-P-C4' energy: -180.528
flat angles P-C4'-P energy: -133.797
tors. eta vs tors. theta energy: -252.527
Dist. restrs. and SS energy: 1.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2848.455504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.455504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.647547 (E_RNA)
where:
Base-Base interactions energy: -1998.021
where: short stacking energy: -840.025
Base-Backbone interact. energy: 1.367
local terms energy: -852.994159
where:
bonds (distance) C4'-P energy: -160.033
bonds (distance) P-C4' energy: -159.479
flat angles C4'-P-C4' energy: -168.782
flat angles P-C4'-P energy: -125.688
tors. eta vs tors. theta energy: -239.011
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: 449
Temperature: 1.000000
Total energy: -2753.721782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.721782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.601695 (E_RNA)
where:
Base-Base interactions energy: -1936.410
where: short stacking energy: -795.530
Base-Backbone interact. energy: -2.416
local terms energy: -817.775230
where:
bonds (distance) C4'-P energy: -157.099
bonds (distance) P-C4' energy: -149.161
flat angles C4'-P-C4' energy: -176.995
flat angles P-C4'-P energy: -104.214
tors. eta vs tors. theta energy: -230.307
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: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2550.137280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.137280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.726186 (E_RNA)
where:
Base-Base interactions energy: -1745.759
where: short stacking energy: -731.490
Base-Backbone interact. energy: -3.251
local terms energy: -803.716079
where:
bonds (distance) C4'-P energy: -147.191
bonds (distance) P-C4' energy: -148.415
flat angles C4'-P-C4' energy: -183.527
flat angles P-C4'-P energy: -100.451
tors. eta vs tors. theta energy: -224.132
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2402.405081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.405081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.810032 (E_RNA)
where:
Base-Base interactions energy: -1632.998
where: short stacking energy: -703.768
Base-Backbone interact. energy: -1.919
local terms energy: -769.893283
where:
bonds (distance) C4'-P energy: -144.305
bonds (distance) P-C4' energy: -156.779
flat angles C4'-P-C4' energy: -169.038
flat angles P-C4'-P energy: -97.331
tors. eta vs tors. theta energy: -202.442
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: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2272.708028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.708028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.204634 (E_RNA)
where:
Base-Base interactions energy: -1552.319
where: short stacking energy: -678.601
Base-Backbone interact. energy: -2.201
local terms energy: -720.684224
where:
bonds (distance) C4'-P energy: -127.798
bonds (distance) P-C4' energy: -140.999
flat angles C4'-P-C4' energy: -154.847
flat angles P-C4'-P energy: -99.687
tors. eta vs tors. theta energy: -197.353
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2109.730010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.730010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.549800 (E_RNA)
where:
Base-Base interactions energy: -1416.041
where: short stacking energy: -599.631
Base-Backbone interact. energy: -2.357
local terms energy: -693.151423
where:
bonds (distance) C4'-P energy: -122.687
bonds (distance) P-C4' energy: -137.364
flat angles C4'-P-C4' energy: -172.250
flat angles P-C4'-P energy: -95.570
tors. eta vs tors. theta energy: -165.281
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: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1986.804404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.804404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.431128 (E_RNA)
where:
Base-Base interactions energy: -1366.059
where: short stacking energy: -566.539
Base-Backbone interact. energy: 5.660
local terms energy: -628.031393
where:
bonds (distance) C4'-P energy: -124.333
bonds (distance) P-C4' energy: -132.659
flat angles C4'-P-C4' energy: -145.707
flat angles P-C4'-P energy: -75.718
tors. eta vs tors. theta energy: -149.615
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: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1884.001496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.001496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.431049 (E_RNA)
where:
Base-Base interactions energy: -1317.834
where: short stacking energy: -535.581
Base-Backbone interact. energy: 1.982
local terms energy: -570.579467
where:
bonds (distance) C4'-P energy: -116.628
bonds (distance) P-C4' energy: -124.315
flat angles C4'-P-C4' energy: -138.246
flat angles P-C4'-P energy: -88.266
tors. eta vs tors. theta energy: -103.124
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1892.899968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.899968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.107286 (E_RNA)
where:
Base-Base interactions energy: -1308.742
where: short stacking energy: -538.879
Base-Backbone interact. energy: 13.468
local terms energy: -599.833468
where:
bonds (distance) C4'-P energy: -108.170
bonds (distance) P-C4' energy: -143.048
flat angles C4'-P-C4' energy: -140.986
flat angles P-C4'-P energy: -67.665
tors. eta vs tors. theta energy: -139.964
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: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2931.935242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.935242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.637778 (E_RNA)
where:
Base-Base interactions energy: -2027.693
where: short stacking energy: -872.012
Base-Backbone interact. energy: -2.636
local terms energy: -904.309355
where:
bonds (distance) C4'-P energy: -158.570
bonds (distance) P-C4' energy: -164.196
flat angles C4'-P-C4' energy: -188.421
flat angles P-C4'-P energy: -123.652
tors. eta vs tors. theta energy: -269.471
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: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2818.170079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.170079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.111764 (E_RNA)
where:
Base-Base interactions energy: -1968.344
where: short stacking energy: -810.290
Base-Backbone interact. energy: -0.922
local terms energy: -849.845489
where:
bonds (distance) C4'-P energy: -149.223
bonds (distance) P-C4' energy: -159.614
flat angles C4'-P-C4' energy: -181.645
flat angles P-C4'-P energy: -122.888
tors. eta vs tors. theta energy: -236.476
Dist. restrs. and SS energy: 0.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2710.671041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.671041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.134130 (E_RNA)
where:
Base-Base interactions energy: -1863.958
where: short stacking energy: -781.879
Base-Backbone interact. energy: -2.499
local terms energy: -846.677551
where:
bonds (distance) C4'-P energy: -158.027
bonds (distance) P-C4' energy: -155.808
flat angles C4'-P-C4' energy: -175.973
flat angles P-C4'-P energy: -129.762
tors. eta vs tors. theta energy: -227.107
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: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2569.863066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.863066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.312478 (E_RNA)
where:
Base-Base interactions energy: -1748.012
where: short stacking energy: -717.639
Base-Backbone interact. energy: -1.860
local terms energy: -821.441129
where:
bonds (distance) C4'-P energy: -148.377
bonds (distance) P-C4' energy: -156.800
flat angles C4'-P-C4' energy: -173.652
flat angles P-C4'-P energy: -120.633
tors. eta vs tors. theta energy: -221.979
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: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2388.018163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.018163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.202984 (E_RNA)
where:
Base-Base interactions energy: -1640.098
where: short stacking energy: -709.851
Base-Backbone interact. energy: -0.581
local terms energy: -749.523948
where:
bonds (distance) C4'-P energy: -154.634
bonds (distance) P-C4' energy: -140.827
flat angles C4'-P-C4' energy: -158.845
flat angles P-C4'-P energy: -94.624
tors. eta vs tors. theta energy: -200.595
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: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2276.518861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.518861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.807407 (E_RNA)
where:
Base-Base interactions energy: -1580.767
where: short stacking energy: -684.648
Base-Backbone interact. energy: -1.385
local terms energy: -697.655459
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -156.673
flat angles P-C4'-P energy: -94.854
tors. eta vs tors. theta energy: -175.741
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: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2090.045719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.045719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.709169 (E_RNA)
where:
Base-Base interactions energy: -1393.947
where: short stacking energy: -581.902
Base-Backbone interact. energy: 0.200
local terms energy: -697.961365
where:
bonds (distance) C4'-P energy: -146.395
bonds (distance) P-C4' energy: -137.793
flat angles C4'-P-C4' energy: -160.252
flat angles P-C4'-P energy: -112.328
tors. eta vs tors. theta energy: -141.193
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2031.203862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.203862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.728302 (E_RNA)
where:
Base-Base interactions energy: -1402.800
where: short stacking energy: -585.872
Base-Backbone interact. energy: 1.199
local terms energy: -633.126937
where:
bonds (distance) C4'-P energy: -125.647
bonds (distance) P-C4' energy: -120.845
flat angles C4'-P-C4' energy: -134.285
flat angles P-C4'-P energy: -89.305
tors. eta vs tors. theta energy: -163.045
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1904.847094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.847094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.200474 (E_RNA)
where:
Base-Base interactions energy: -1295.322
where: short stacking energy: -534.232
Base-Backbone interact. energy: -2.780
local terms energy: -609.098410
where:
bonds (distance) C4'-P energy: -118.523
bonds (distance) P-C4' energy: -113.137
flat angles C4'-P-C4' energy: -149.794
flat angles P-C4'-P energy: -85.450
tors. eta vs tors. theta energy: -142.194
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: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1883.770575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.770575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.794669 (E_RNA)
where:
Base-Base interactions energy: -1288.379
where: short stacking energy: -539.361
Base-Backbone interact. energy: 5.249
local terms energy: -603.664757
where:
bonds (distance) C4'-P energy: -118.724
bonds (distance) P-C4' energy: -130.625
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -123.945
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: 451
Temperature: 0.900000
Total energy: -2919.146931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.146931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.572805 (E_RNA)
where:
Base-Base interactions energy: -2027.350
where: short stacking energy: -880.768
Base-Backbone interact. energy: -3.175
local terms energy: -891.047197
where:
bonds (distance) C4'-P energy: -150.203
bonds (distance) P-C4' energy: -173.013
flat angles C4'-P-C4' energy: -184.022
flat angles P-C4'-P energy: -120.575
tors. eta vs tors. theta energy: -263.234
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: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2842.637843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.637843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.718340 (E_RNA)
where:
Base-Base interactions energy: -1990.212
where: short stacking energy: -799.067
Base-Backbone interact. energy: -0.035
local terms energy: -853.470878
where:
bonds (distance) C4'-P energy: -145.673
bonds (distance) P-C4' energy: -155.468
flat angles C4'-P-C4' energy: -189.294
flat angles P-C4'-P energy: -123.183
tors. eta vs tors. theta energy: -239.852
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: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2683.915716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.915716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.796337 (E_RNA)
where:
Base-Base interactions energy: -1855.356
where: short stacking energy: -786.295
Base-Backbone interact. energy: 2.877
local terms energy: -833.317779
where:
bonds (distance) C4'-P energy: -142.016
bonds (distance) P-C4' energy: -160.268
flat angles C4'-P-C4' energy: -186.176
flat angles P-C4'-P energy: -122.087
tors. eta vs tors. theta energy: -222.771
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: 451
Temperature: 1.050000
Total energy: -2560.395728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.395728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.981987 (E_RNA)
where:
Base-Base interactions energy: -1734.070
where: short stacking energy: -756.882
Base-Backbone interact. energy: -3.147
local terms energy: -824.765788
where:
bonds (distance) C4'-P energy: -135.878
bonds (distance) P-C4' energy: -161.899
flat angles C4'-P-C4' energy: -176.090
flat angles P-C4'-P energy: -114.602
tors. eta vs tors. theta energy: -236.296
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: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2381.552844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.552844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.736537 (E_RNA)
where:
Base-Base interactions energy: -1632.454
where: short stacking energy: -694.708
Base-Backbone interact. energy: 2.567
local terms energy: -753.849257
where:
bonds (distance) C4'-P energy: -136.876
bonds (distance) P-C4' energy: -144.181
flat angles C4'-P-C4' energy: -151.487
flat angles P-C4'-P energy: -120.391
tors. eta vs tors. theta energy: -200.915
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: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2293.395763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.395763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.313963 (E_RNA)
where:
Base-Base interactions energy: -1542.051
where: short stacking energy: -653.390
Base-Backbone interact. energy: -1.262
local terms energy: -752.001045
where:
bonds (distance) C4'-P energy: -156.449
bonds (distance) P-C4' energy: -141.447
flat angles C4'-P-C4' energy: -155.525
flat angles P-C4'-P energy: -103.123
tors. eta vs tors. theta energy: -195.456
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2125.358358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.358358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.245766 (E_RNA)
where:
Base-Base interactions energy: -1438.734
where: short stacking energy: -626.209
Base-Backbone interact. energy: 0.235
local terms energy: -688.746733
where:
bonds (distance) C4'-P energy: -128.752
bonds (distance) P-C4' energy: -121.492
flat angles C4'-P-C4' energy: -150.593
flat angles P-C4'-P energy: -104.639
tors. eta vs tors. theta energy: -183.271
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: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1958.916355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.445265 (E_RNA)
where:
Base-Base interactions energy: -1350.473
where: short stacking energy: -557.106
Base-Backbone interact. energy: 2.245
local terms energy: -614.217230
where:
bonds (distance) C4'-P energy: -138.711
bonds (distance) P-C4' energy: -125.742
flat angles C4'-P-C4' energy: -149.756
flat angles P-C4'-P energy: -75.622
tors. eta vs tors. theta energy: -124.386
Dist. restrs. and SS energy: 3.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1944.481893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.481893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.017845 (E_RNA)
where:
Base-Base interactions energy: -1324.925
where: short stacking energy: -569.377
Base-Backbone interact. energy: -1.040
local terms energy: -620.052712
where:
bonds (distance) C4'-P energy: -124.450
bonds (distance) P-C4' energy: -127.970
flat angles C4'-P-C4' energy: -141.132
flat angles P-C4'-P energy: -87.251
tors. eta vs tors. theta energy: -139.250
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: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1877.364748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.364748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.731001 (E_RNA)
where:
Base-Base interactions energy: -1280.108
where: short stacking energy: -537.556
Base-Backbone interact. energy: -1.276
local terms energy: -598.347107
where:
bonds (distance) C4'-P energy: -109.048
bonds (distance) P-C4' energy: -120.064
flat angles C4'-P-C4' energy: -146.881
flat angles P-C4'-P energy: -92.813
tors. eta vs tors. theta energy: -129.541
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: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2919.697482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.697482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.933639 (E_RNA)
where:
Base-Base interactions energy: -2018.225
where: short stacking energy: -828.512
Base-Backbone interact. energy: -3.812
local terms energy: -898.896881
where:
bonds (distance) C4'-P energy: -167.024
bonds (distance) P-C4' energy: -181.947
flat angles C4'-P-C4' energy: -180.588
flat angles P-C4'-P energy: -119.499
tors. eta vs tors. theta energy: -249.840
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: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2860.010451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.010451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.151721 (E_RNA)
where:
Base-Base interactions energy: -1981.923
where: short stacking energy: -850.473
Base-Backbone interact. energy: -2.165
local terms energy: -877.062821
where:
bonds (distance) C4'-P energy: -156.114
bonds (distance) P-C4' energy: -161.102
flat angles C4'-P-C4' energy: -184.930
flat angles P-C4'-P energy: -125.165
tors. eta vs tors. theta energy: -249.752
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: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2711.650143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.650143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.825581 (E_RNA)
where:
Base-Base interactions energy: -1887.576
where: short stacking energy: -769.261
Base-Backbone interact. energy: -2.140
local terms energy: -825.109862
where:
bonds (distance) C4'-P energy: -144.981
bonds (distance) P-C4' energy: -147.303
flat angles C4'-P-C4' energy: -177.765
flat angles P-C4'-P energy: -120.460
tors. eta vs tors. theta energy: -234.601
Dist. restrs. and SS energy: 3.175 (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: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2593.064186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.064186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.012419 (E_RNA)
where:
Base-Base interactions energy: -1771.298
where: short stacking energy: -760.238
Base-Backbone interact. energy: 2.400
local terms energy: -827.114676
where:
bonds (distance) C4'-P energy: -148.966
bonds (distance) P-C4' energy: -161.123
flat angles C4'-P-C4' energy: -158.441
flat angles P-C4'-P energy: -115.514
tors. eta vs tors. theta energy: -243.070
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: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2338.480992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.480992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.444814 (E_RNA)
where:
Base-Base interactions energy: -1592.468
where: short stacking energy: -683.890
Base-Backbone interact. energy: -2.222
local terms energy: -745.754852
where:
bonds (distance) C4'-P energy: -134.694
bonds (distance) P-C4' energy: -160.915
flat angles C4'-P-C4' energy: -155.593
flat angles P-C4'-P energy: -99.439
tors. eta vs tors. theta energy: -195.113
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2272.266742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.266742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.126309 (E_RNA)
where:
Base-Base interactions energy: -1543.277
where: short stacking energy: -644.597
Base-Backbone interact. energy: -2.747
local terms energy: -728.102259
where:
bonds (distance) C4'-P energy: -142.561
bonds (distance) P-C4' energy: -139.541
flat angles C4'-P-C4' energy: -166.884
flat angles P-C4'-P energy: -97.196
tors. eta vs tors. theta energy: -181.920
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: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2122.192713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.192713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.443446 (E_RNA)
where:
Base-Base interactions energy: -1418.018
where: short stacking energy: -600.841
Base-Backbone interact. energy: 3.771
local terms energy: -710.195902
where:
bonds (distance) C4'-P energy: -125.870
bonds (distance) P-C4' energy: -149.065
flat angles C4'-P-C4' energy: -170.217
flat angles P-C4'-P energy: -101.432
tors. eta vs tors. theta energy: -163.611
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: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1996.913190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.913190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.581842 (E_RNA)
where:
Base-Base interactions energy: -1338.252
where: short stacking energy: -578.959
Base-Backbone interact. energy: 5.522
local terms energy: -667.851714
where:
bonds (distance) C4'-P energy: -118.416
bonds (distance) P-C4' energy: -124.334
flat angles C4'-P-C4' energy: -174.520
flat angles P-C4'-P energy: -99.367
tors. eta vs tors. theta energy: -151.213
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: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1973.526685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.526685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.031346 (E_RNA)
where:
Base-Base interactions energy: -1356.296
where: short stacking energy: -546.021
Base-Backbone interact. energy: 2.029
local terms energy: -622.765148
where:
bonds (distance) C4'-P energy: -122.099
bonds (distance) P-C4' energy: -156.451
flat angles C4'-P-C4' energy: -140.163
flat angles P-C4'-P energy: -76.837
tors. eta vs tors. theta energy: -127.215
Dist. restrs. and SS energy: 3.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1850.541447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.541447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.458554 (E_RNA)
where:
Base-Base interactions energy: -1230.733
where: short stacking energy: -521.141
Base-Backbone interact. energy: -1.465
local terms energy: -622.259973
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -125.047
flat angles C4'-P-C4' energy: -142.831
flat angles P-C4'-P energy: -82.697
tors. eta vs tors. theta energy: -139.530
Dist. restrs. and SS energy: 3.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2894.618551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.618551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.986975 (E_RNA)
where:
Base-Base interactions energy: -2006.116
where: short stacking energy: -839.733
Base-Backbone interact. energy: 4.718
local terms energy: -894.589553
where:
bonds (distance) C4'-P energy: -158.552
bonds (distance) P-C4' energy: -169.770
flat angles C4'-P-C4' energy: -194.599
flat angles P-C4'-P energy: -124.706
tors. eta vs tors. theta energy: -246.963
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: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2845.938125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.938125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.148681 (E_RNA)
where:
Base-Base interactions energy: -1987.318
where: short stacking energy: -811.781
Base-Backbone interact. energy: 0.211
local terms energy: -860.041242
where:
bonds (distance) C4'-P energy: -168.685
bonds (distance) P-C4' energy: -153.523
flat angles C4'-P-C4' energy: -194.151
flat angles P-C4'-P energy: -107.581
tors. eta vs tors. theta energy: -236.101
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: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2708.428829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.428829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.059275 (E_RNA)
where:
Base-Base interactions energy: -1900.170
where: short stacking energy: -766.893
Base-Backbone interact. energy: 1.165
local terms energy: -812.053754
where:
bonds (distance) C4'-P energy: -135.841
bonds (distance) P-C4' energy: -153.457
flat angles C4'-P-C4' energy: -175.781
flat angles P-C4'-P energy: -126.363
tors. eta vs tors. theta energy: -220.612
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2543.516573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.516573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.411023 (E_RNA)
where:
Base-Base interactions energy: -1738.124
where: short stacking energy: -751.128
Base-Backbone interact. energy: 5.403
local terms energy: -812.689312
where:
bonds (distance) C4'-P energy: -147.937
bonds (distance) P-C4' energy: -147.708
flat angles C4'-P-C4' energy: -175.748
flat angles P-C4'-P energy: -109.483
tors. eta vs tors. theta energy: -231.813
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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2376.114986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.114986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.023823 (E_RNA)
where:
Base-Base interactions energy: -1634.916
where: short stacking energy: -705.136
Base-Backbone interact. energy: -0.744
local terms energy: -743.363328
where:
bonds (distance) C4'-P energy: -156.438
bonds (distance) P-C4' energy: -131.869
flat angles C4'-P-C4' energy: -160.988
flat angles P-C4'-P energy: -107.751
tors. eta vs tors. theta energy: -186.317
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: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2261.272724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.272724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.185604 (E_RNA)
where:
Base-Base interactions energy: -1520.060
where: short stacking energy: -659.620
Base-Backbone interact. energy: 4.905
local terms energy: -749.030725
where:
bonds (distance) C4'-P energy: -135.654
bonds (distance) P-C4' energy: -157.484
flat angles C4'-P-C4' energy: -163.188
flat angles P-C4'-P energy: -103.166
tors. eta vs tors. theta energy: -189.539
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2063.120444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.120444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.102041 (E_RNA)
where:
Base-Base interactions energy: -1405.323
where: short stacking energy: -578.636
Base-Backbone interact. energy: -3.060
local terms energy: -656.719628
where:
bonds (distance) C4'-P energy: -136.112
bonds (distance) P-C4' energy: -128.151
flat angles C4'-P-C4' energy: -139.504
flat angles P-C4'-P energy: -104.690
tors. eta vs tors. theta energy: -148.263
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: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2000.051198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.051198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.639160 (E_RNA)
where:
Base-Base interactions energy: -1355.032
where: short stacking energy: -574.265
Base-Backbone interact. energy: 8.644
local terms energy: -658.251675
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -135.751
flat angles C4'-P-C4' energy: -148.920
flat angles P-C4'-P energy: -80.194
tors. eta vs tors. theta energy: -152.600
Dist. restrs. and SS energy: 4.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1896.616842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.616842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.035359 (E_RNA)
where:
Base-Base interactions energy: -1260.155
where: short stacking energy: -531.578
Base-Backbone interact. energy: -0.851
local terms energy: -642.029662
where:
bonds (distance) C4'-P energy: -157.525
bonds (distance) P-C4' energy: -111.643
flat angles C4'-P-C4' energy: -148.190
flat angles P-C4'-P energy: -100.382
tors. eta vs tors. theta energy: -124.290
Dist. restrs. and SS energy: 6.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1917.238337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.238337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.297640 (E_RNA)
where:
Base-Base interactions energy: -1293.682
where: short stacking energy: -540.750
Base-Backbone interact. energy: 0.510
local terms energy: -627.125196
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -127.389
flat angles C4'-P-C4' energy: -151.849
flat angles P-C4'-P energy: -94.384
tors. eta vs tors. theta energy: -127.461
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: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2895.020639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.020639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.988734 (E_RNA)
where:
Base-Base interactions energy: -2024.564
where: short stacking energy: -835.166
Base-Backbone interact. energy: 0.374
local terms energy: -872.798547
where:
bonds (distance) C4'-P energy: -156.151
bonds (distance) P-C4' energy: -160.374
flat angles C4'-P-C4' energy: -191.173
flat angles P-C4'-P energy: -114.429
tors. eta vs tors. theta energy: -250.671
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: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2844.906218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.906218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.660544 (E_RNA)
where:
Base-Base interactions energy: -1957.451
where: short stacking energy: -809.067
Base-Backbone interact. energy: -1.938
local terms energy: -887.271504
where:
bonds (distance) C4'-P energy: -166.332
bonds (distance) P-C4' energy: -165.141
flat angles C4'-P-C4' energy: -180.682
flat angles P-C4'-P energy: -131.351
tors. eta vs tors. theta energy: -243.765
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: 454
Temperature: 1.000000
Total energy: -2707.004526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.004526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.483444 (E_RNA)
where:
Base-Base interactions energy: -1870.362
where: short stacking energy: -780.153
Base-Backbone interact. energy: -4.624
local terms energy: -835.496805
where:
bonds (distance) C4'-P energy: -159.097
bonds (distance) P-C4' energy: -161.897
flat angles C4'-P-C4' energy: -169.915
flat angles P-C4'-P energy: -110.240
tors. eta vs tors. theta energy: -234.348
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: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2545.128939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.128939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.423349 (E_RNA)
where:
Base-Base interactions energy: -1757.311
where: short stacking energy: -741.178
Base-Backbone interact. energy: 11.343
local terms energy: -800.455339
where:
bonds (distance) C4'-P energy: -149.551
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -171.879
flat angles P-C4'-P energy: -105.326
tors. eta vs tors. theta energy: -228.209
Dist. restrs. and SS energy: 1.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2365.914631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.914631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.516615 (E_RNA)
where:
Base-Base interactions energy: -1589.728
where: short stacking energy: -689.985
Base-Backbone interact. energy: -0.122
local terms energy: -778.666571
where:
bonds (distance) C4'-P energy: -145.246
bonds (distance) P-C4' energy: -160.859
flat angles C4'-P-C4' energy: -177.880
flat angles P-C4'-P energy: -111.181
tors. eta vs tors. theta energy: -183.501
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: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2261.414378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.414378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.553535 (E_RNA)
where:
Base-Base interactions energy: -1556.057
where: short stacking energy: -656.281
Base-Backbone interact. energy: -2.168
local terms energy: -704.328558
where:
bonds (distance) C4'-P energy: -140.253
bonds (distance) P-C4' energy: -140.617
flat angles C4'-P-C4' energy: -156.600
flat angles P-C4'-P energy: -89.685
tors. eta vs tors. theta energy: -177.173
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2054.355934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.355934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.656891 (E_RNA)
where:
Base-Base interactions energy: -1401.220
where: short stacking energy: -597.055
Base-Backbone interact. energy: -0.116
local terms energy: -654.320902
where:
bonds (distance) C4'-P energy: -140.483
bonds (distance) P-C4' energy: -127.210
flat angles C4'-P-C4' energy: -143.196
flat angles P-C4'-P energy: -98.071
tors. eta vs tors. theta energy: -145.360
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: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1960.181878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.181878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.268906 (E_RNA)
where:
Base-Base interactions energy: -1341.170
where: short stacking energy: -555.453
Base-Backbone interact. energy: 8.723
local terms energy: -630.821695
where:
bonds (distance) C4'-P energy: -128.376
bonds (distance) P-C4' energy: -132.523
flat angles C4'-P-C4' energy: -144.802
flat angles P-C4'-P energy: -84.074
tors. eta vs tors. theta energy: -141.047
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1879.706175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.706175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.945394 (E_RNA)
where:
Base-Base interactions energy: -1297.353
where: short stacking energy: -516.050
Base-Backbone interact. energy: -3.688
local terms energy: -580.904187
where:
bonds (distance) C4'-P energy: -119.631
bonds (distance) P-C4' energy: -125.412
flat angles C4'-P-C4' energy: -142.377
flat angles P-C4'-P energy: -77.068
tors. eta vs tors. theta energy: -116.417
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: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1850.035008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.035008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.635497 (E_RNA)
where:
Base-Base interactions energy: -1276.186
where: short stacking energy: -527.466
Base-Backbone interact. energy: -1.624
local terms energy: -576.825135
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -102.096
flat angles C4'-P-C4' energy: -150.624
flat angles P-C4'-P energy: -81.047
tors. eta vs tors. theta energy: -140.903
Dist. restrs. and SS energy: 4.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2868.822010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.822010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.164233 (E_RNA)
where:
Base-Base interactions energy: -1983.626
where: short stacking energy: -833.232
Base-Backbone interact. energy: -4.400
local terms energy: -883.138421
where:
bonds (distance) C4'-P energy: -171.321
bonds (distance) P-C4' energy: -149.190
flat angles C4'-P-C4' energy: -180.880
flat angles P-C4'-P energy: -130.724
tors. eta vs tors. theta energy: -251.024
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: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2839.117894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.117894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.251288 (E_RNA)
where:
Base-Base interactions energy: -1995.667
where: short stacking energy: -838.100
Base-Backbone interact. energy: -3.423
local terms energy: -842.161354
where:
bonds (distance) C4'-P energy: -147.451
bonds (distance) P-C4' energy: -153.220
flat angles C4'-P-C4' energy: -181.810
flat angles P-C4'-P energy: -109.771
tors. eta vs tors. theta energy: -249.909
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: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2734.328138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.328138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.333061 (E_RNA)
where:
Base-Base interactions energy: -1903.729
where: short stacking energy: -778.371
Base-Backbone interact. energy: 2.993
local terms energy: -835.596907
where:
bonds (distance) C4'-P energy: -140.767
bonds (distance) P-C4' energy: -147.222
flat angles C4'-P-C4' energy: -195.302
flat angles P-C4'-P energy: -114.072
tors. eta vs tors. theta energy: -238.233
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2555.389805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.389805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.330871 (E_RNA)
where:
Base-Base interactions energy: -1757.187
where: short stacking energy: -747.993
Base-Backbone interact. energy: 5.107
local terms energy: -805.251553
where:
bonds (distance) C4'-P energy: -148.029
bonds (distance) P-C4' energy: -138.966
flat angles C4'-P-C4' energy: -175.980
flat angles P-C4'-P energy: -107.200
tors. eta vs tors. theta energy: -235.076
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: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2424.770442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.770442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.620516 (E_RNA)
where:
Base-Base interactions energy: -1655.462
where: short stacking energy: -721.587
Base-Backbone interact. energy: -3.101
local terms energy: -768.057450
where:
bonds (distance) C4'-P energy: -148.458
bonds (distance) P-C4' energy: -147.342
flat angles C4'-P-C4' energy: -172.790
flat angles P-C4'-P energy: -94.822
tors. eta vs tors. theta energy: -204.646
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: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2189.737362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.737362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.662462 (E_RNA)
where:
Base-Base interactions energy: -1500.731
where: short stacking energy: -627.707
Base-Backbone interact. energy: -2.109
local terms energy: -688.821621
where:
bonds (distance) C4'-P energy: -136.818
bonds (distance) P-C4' energy: -131.129
flat angles C4'-P-C4' energy: -154.128
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -182.607
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: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2082.789659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.789659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.080527 (E_RNA)
where:
Base-Base interactions energy: -1410.992
where: short stacking energy: -590.879
Base-Backbone interact. energy: -2.836
local terms energy: -671.252612
where:
bonds (distance) C4'-P energy: -135.698
bonds (distance) P-C4' energy: -139.922
flat angles C4'-P-C4' energy: -149.749
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -155.662
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1981.382749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.382749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.207037 (E_RNA)
where:
Base-Base interactions energy: -1339.749
where: short stacking energy: -574.428
Base-Backbone interact. energy: 10.628
local terms energy: -661.085316
where:
bonds (distance) C4'-P energy: -139.035
bonds (distance) P-C4' energy: -151.495
flat angles C4'-P-C4' energy: -146.565
flat angles P-C4'-P energy: -66.513
tors. eta vs tors. theta energy: -157.477
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: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1921.242461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.242461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.129982 (E_RNA)
where:
Base-Base interactions energy: -1256.202
where: short stacking energy: -537.005
Base-Backbone interact. energy: -0.717
local terms energy: -672.211092
where:
bonds (distance) C4'-P energy: -141.086
bonds (distance) P-C4' energy: -159.742
flat angles C4'-P-C4' energy: -135.404
flat angles P-C4'-P energy: -97.895
tors. eta vs tors. theta energy: -138.084
Dist. restrs. and SS energy: 7.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1840.725948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.725948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.044715 (E_RNA)
where:
Base-Base interactions energy: -1242.568
where: short stacking energy: -540.541
Base-Backbone interact. energy: -3.353
local terms energy: -607.123014
where:
bonds (distance) C4'-P energy: -130.808
bonds (distance) P-C4' energy: -130.542
flat angles C4'-P-C4' energy: -138.405
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -143.355
Dist. restrs. and SS energy: 12.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2910.001144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.001144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.760372 (E_RNA)
where:
Base-Base interactions energy: -2035.519
where: short stacking energy: -819.937
Base-Backbone interact. energy: -2.601
local terms energy: -874.640171
where:
bonds (distance) C4'-P energy: -146.905
bonds (distance) P-C4' energy: -163.011
flat angles C4'-P-C4' energy: -184.833
flat angles P-C4'-P energy: -128.160
tors. eta vs tors. theta energy: -251.732
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2827.719751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.719751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.609241 (E_RNA)
where:
Base-Base interactions energy: -1976.791
where: short stacking energy: -814.479
Base-Backbone interact. energy: 5.161
local terms energy: -856.979929
where:
bonds (distance) C4'-P energy: -155.758
bonds (distance) P-C4' energy: -153.199
flat angles C4'-P-C4' energy: -197.870
flat angles P-C4'-P energy: -123.245
tors. eta vs tors. theta energy: -226.908
Dist. restrs. and SS energy: 0.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2730.466952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.466952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.303911 (E_RNA)
where:
Base-Base interactions energy: -1886.588
where: short stacking energy: -798.104
Base-Backbone interact. energy: 3.308
local terms energy: -849.022989
where:
bonds (distance) C4'-P energy: -148.266
bonds (distance) P-C4' energy: -161.633
flat angles C4'-P-C4' energy: -184.528
flat angles P-C4'-P energy: -119.034
tors. eta vs tors. theta energy: -235.561
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2522.864920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.864920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.761863 (E_RNA)
where:
Base-Base interactions energy: -1730.965
where: short stacking energy: -723.881
Base-Backbone interact. energy: 8.567
local terms energy: -801.364407
where:
bonds (distance) C4'-P energy: -147.234
bonds (distance) P-C4' energy: -158.640
flat angles C4'-P-C4' energy: -172.090
flat angles P-C4'-P energy: -110.707
tors. eta vs tors. theta energy: -212.693
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2387.763935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.763935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.016934 (E_RNA)
where:
Base-Base interactions energy: -1649.750
where: short stacking energy: -707.032
Base-Backbone interact. energy: -1.108
local terms energy: -739.158834
where:
bonds (distance) C4'-P energy: -147.167
bonds (distance) P-C4' energy: -128.323
flat angles C4'-P-C4' energy: -166.705
flat angles P-C4'-P energy: -98.376
tors. eta vs tors. theta energy: -198.588
Dist. restrs. and SS energy: 2.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2264.225139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.225139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.161483 (E_RNA)
where:
Base-Base interactions energy: -1535.202
where: short stacking energy: -659.626
Base-Backbone interact. energy: -2.845
local terms energy: -728.114306
where:
bonds (distance) C4'-P energy: -133.248
bonds (distance) P-C4' energy: -145.173
flat angles C4'-P-C4' energy: -142.253
flat angles P-C4'-P energy: -122.930
tors. eta vs tors. theta energy: -184.511
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2166.604099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.604099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.806636 (E_RNA)
where:
Base-Base interactions energy: -1464.949
where: short stacking energy: -640.216
Base-Backbone interact. energy: -3.186
local terms energy: -701.671060
where:
bonds (distance) C4'-P energy: -144.780
bonds (distance) P-C4' energy: -125.477
flat angles C4'-P-C4' energy: -149.490
flat angles P-C4'-P energy: -103.945
tors. eta vs tors. theta energy: -177.980
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1970.051166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.051166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.044769 (E_RNA)
where:
Base-Base interactions energy: -1319.534
where: short stacking energy: -547.470
Base-Backbone interact. energy: 4.344
local terms energy: -656.855358
where:
bonds (distance) C4'-P energy: -147.034
bonds (distance) P-C4' energy: -142.144
flat angles C4'-P-C4' energy: -144.290
flat angles P-C4'-P energy: -83.472
tors. eta vs tors. theta energy: -139.915
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: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1950.224956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.224956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.170672 (E_RNA)
where:
Base-Base interactions energy: -1334.767
where: short stacking energy: -542.347
Base-Backbone interact. energy: 1.325
local terms energy: -618.728945
where:
bonds (distance) C4'-P energy: -134.427
bonds (distance) P-C4' energy: -112.551
flat angles C4'-P-C4' energy: -120.610
flat angles P-C4'-P energy: -97.578
tors. eta vs tors. theta energy: -153.563
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: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1852.526005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.526005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.627052 (E_RNA)
where:
Base-Base interactions energy: -1253.879
where: short stacking energy: -523.419
Base-Backbone interact. energy: -0.730
local terms energy: -603.018505
where:
bonds (distance) C4'-P energy: -118.751
bonds (distance) P-C4' energy: -148.651
flat angles C4'-P-C4' energy: -128.819
flat angles P-C4'-P energy: -75.768
tors. eta vs tors. theta energy: -131.030
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: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2880.193071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.193071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.874441 (E_RNA)
where:
Base-Base interactions energy: -2010.153
where: short stacking energy: -822.906
Base-Backbone interact. energy: 0.282
local terms energy: -872.003501
where:
bonds (distance) C4'-P energy: -159.203
bonds (distance) P-C4' energy: -156.916
flat angles C4'-P-C4' energy: -191.159
flat angles P-C4'-P energy: -116.616
tors. eta vs tors. theta energy: -248.109
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2842.980759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.980759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.129885 (E_RNA)
where:
Base-Base interactions energy: -1998.453
where: short stacking energy: -833.501
Base-Backbone interact. energy: 1.046
local terms energy: -847.723304
where:
bonds (distance) C4'-P energy: -151.573
bonds (distance) P-C4' energy: -151.650
flat angles C4'-P-C4' energy: -184.138
flat angles P-C4'-P energy: -115.728
tors. eta vs tors. theta energy: -244.635
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: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2730.799636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.799636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.045610 (E_RNA)
where:
Base-Base interactions energy: -1883.596
where: short stacking energy: -786.766
Base-Backbone interact. energy: 1.468
local terms energy: -849.918429
where:
bonds (distance) C4'-P energy: -174.965
bonds (distance) P-C4' energy: -147.592
flat angles C4'-P-C4' energy: -187.135
flat angles P-C4'-P energy: -120.754
tors. eta vs tors. theta energy: -219.471
Dist. restrs. and SS energy: 1.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2520.343710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.343710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.468841 (E_RNA)
where:
Base-Base interactions energy: -1714.629
where: short stacking energy: -734.052
Base-Backbone interact. energy: -3.426
local terms energy: -804.413536
where:
bonds (distance) C4'-P energy: -137.048
bonds (distance) P-C4' energy: -164.549
flat angles C4'-P-C4' energy: -157.274
flat angles P-C4'-P energy: -117.476
tors. eta vs tors. theta energy: -228.067
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2395.152586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.152586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.238847 (E_RNA)
where:
Base-Base interactions energy: -1653.776
where: short stacking energy: -715.851
Base-Backbone interact. energy: 2.157
local terms energy: -745.619294
where:
bonds (distance) C4'-P energy: -127.259
bonds (distance) P-C4' energy: -149.318
flat angles C4'-P-C4' energy: -170.591
flat angles P-C4'-P energy: -104.053
tors. eta vs tors. theta energy: -194.400
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: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2267.382274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.382274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.028538 (E_RNA)
where:
Base-Base interactions energy: -1532.558
where: short stacking energy: -653.198
Base-Backbone interact. energy: -0.820
local terms energy: -735.650986
where:
bonds (distance) C4'-P energy: -134.019
bonds (distance) P-C4' energy: -152.188
flat angles C4'-P-C4' energy: -162.603
flat angles P-C4'-P energy: -111.509
tors. eta vs tors. theta energy: -175.332
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: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2135.781683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.781683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.011004 (E_RNA)
where:
Base-Base interactions energy: -1461.616
where: short stacking energy: -600.341
Base-Backbone interact. energy: -0.675
local terms energy: -674.719568
where:
bonds (distance) C4'-P energy: -138.259
bonds (distance) P-C4' energy: -133.022
flat angles C4'-P-C4' energy: -148.128
flat angles P-C4'-P energy: -100.406
tors. eta vs tors. theta energy: -154.904
Dist. restrs. and SS energy: 1.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2002.568311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.568311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.489345 (E_RNA)
where:
Base-Base interactions energy: -1324.919
where: short stacking energy: -575.477
Base-Backbone interact. energy: 0.288
local terms energy: -680.858883
where:
bonds (distance) C4'-P energy: -135.485
bonds (distance) P-C4' energy: -152.551
flat angles C4'-P-C4' energy: -146.167
flat angles P-C4'-P energy: -96.635
tors. eta vs tors. theta energy: -150.021
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: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1966.478988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.478988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.471591 (E_RNA)
where:
Base-Base interactions energy: -1322.622
where: short stacking energy: -536.751
Base-Backbone interact. energy: -0.885
local terms energy: -644.965038
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -122.197
flat angles C4'-P-C4' energy: -153.351
flat angles P-C4'-P energy: -90.155
tors. eta vs tors. theta energy: -159.899
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: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1875.330578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.330578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.849272 (E_RNA)
where:
Base-Base interactions energy: -1299.748
where: short stacking energy: -537.868
Base-Backbone interact. energy: 10.679
local terms energy: -589.780812
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -123.943
flat angles C4'-P-C4' energy: -130.992
flat angles P-C4'-P energy: -65.706
tors. eta vs tors. theta energy: -128.767
Dist. restrs. and SS energy: 3.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2911.263126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.263126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.781986 (E_RNA)
where:
Base-Base interactions energy: -2055.160
where: short stacking energy: -861.106
Base-Backbone interact. energy: -3.492
local terms energy: -855.130436
where:
bonds (distance) C4'-P energy: -162.323
bonds (distance) P-C4' energy: -149.245
flat angles C4'-P-C4' energy: -176.179
flat angles P-C4'-P energy: -120.739
tors. eta vs tors. theta energy: -246.644
Dist. restrs. and SS energy: 2.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2891.139853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.139853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.848794 (E_RNA)
where:
Base-Base interactions energy: -2025.254
where: short stacking energy: -819.306
Base-Backbone interact. energy: 8.668
local terms energy: -876.262745
where:
bonds (distance) C4'-P energy: -144.603
bonds (distance) P-C4' energy: -166.941
flat angles C4'-P-C4' energy: -188.795
flat angles P-C4'-P energy: -130.854
tors. eta vs tors. theta energy: -245.070
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: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2726.571856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.571856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.701656 (E_RNA)
where:
Base-Base interactions energy: -1878.209
where: short stacking energy: -781.614
Base-Backbone interact. energy: 0.719
local terms energy: -850.211529
where:
bonds (distance) C4'-P energy: -156.089
bonds (distance) P-C4' energy: -163.921
flat angles C4'-P-C4' energy: -180.047
flat angles P-C4'-P energy: -118.162
tors. eta vs tors. theta energy: -231.993
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: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2525.801357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.801357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.536981 (E_RNA)
where:
Base-Base interactions energy: -1703.564
where: short stacking energy: -753.161
Base-Backbone interact. energy: -3.801
local terms energy: -820.172625
where:
bonds (distance) C4'-P energy: -150.771
bonds (distance) P-C4' energy: -159.232
flat angles C4'-P-C4' energy: -169.431
flat angles P-C4'-P energy: -106.673
tors. eta vs tors. theta energy: -234.066
Dist. restrs. and SS energy: 1.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2380.233644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.233644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.006324 (E_RNA)
where:
Base-Base interactions energy: -1648.778
where: short stacking energy: -704.738
Base-Backbone interact. energy: -3.561
local terms energy: -729.667886
where:
bonds (distance) C4'-P energy: -128.763
bonds (distance) P-C4' energy: -150.672
flat angles C4'-P-C4' energy: -173.019
flat angles P-C4'-P energy: -100.377
tors. eta vs tors. theta energy: -176.836
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: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2284.551010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.551010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.304996 (E_RNA)
where:
Base-Base interactions energy: -1520.247
where: short stacking energy: -631.267
Base-Backbone interact. energy: -3.206
local terms energy: -763.851631
where:
bonds (distance) C4'-P energy: -168.722
bonds (distance) P-C4' energy: -154.830
flat angles C4'-P-C4' energy: -158.558
flat angles P-C4'-P energy: -106.931
tors. eta vs tors. theta energy: -174.811
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: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2058.534385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.534385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.092704 (E_RNA)
where:
Base-Base interactions energy: -1394.367
where: short stacking energy: -586.652
Base-Backbone interact. energy: -2.057
local terms energy: -663.668674
where:
bonds (distance) C4'-P energy: -130.915
bonds (distance) P-C4' energy: -137.092
flat angles C4'-P-C4' energy: -141.634
flat angles P-C4'-P energy: -106.689
tors. eta vs tors. theta energy: -147.340
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: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1997.342525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.342525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.262019 (E_RNA)
where:
Base-Base interactions energy: -1350.550
where: short stacking energy: -556.056
Base-Backbone interact. energy: 4.036
local terms energy: -656.748411
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -138.500
flat angles C4'-P-C4' energy: -151.729
flat angles P-C4'-P energy: -88.504
tors. eta vs tors. theta energy: -147.883
Dist. restrs. and SS energy: 5.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1930.947210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.947210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.643678 (E_RNA)
where:
Base-Base interactions energy: -1281.300
where: short stacking energy: -517.906
Base-Backbone interact. energy: 0.979
local terms energy: -654.323123
where:
bonds (distance) C4'-P energy: -126.617
bonds (distance) P-C4' energy: -148.489
flat angles C4'-P-C4' energy: -152.268
flat angles P-C4'-P energy: -92.573
tors. eta vs tors. theta energy: -134.377
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: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1864.582654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.582654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.142793 (E_RNA)
where:
Base-Base interactions energy: -1266.382
where: short stacking energy: -536.009
Base-Backbone interact. energy: 5.779
local terms energy: -607.539192
where:
bonds (distance) C4'-P energy: -115.058
bonds (distance) P-C4' energy: -118.144
flat angles C4'-P-C4' energy: -147.165
flat angles P-C4'-P energy: -83.729
tors. eta vs tors. theta energy: -143.443
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: 459
Temperature: 0.900000
Total energy: -2886.163325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.163325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.024604 (E_RNA)
where:
Base-Base interactions energy: -2029.476
where: short stacking energy: -847.029
Base-Backbone interact. energy: 0.484
local terms energy: -859.032506
where:
bonds (distance) C4'-P energy: -157.630
bonds (distance) P-C4' energy: -160.728
flat angles C4'-P-C4' energy: -183.379
flat angles P-C4'-P energy: -107.506
tors. eta vs tors. theta energy: -249.790
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: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2876.105583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.105583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.226039 (E_RNA)
where:
Base-Base interactions energy: -2000.829
where: short stacking energy: -832.873
Base-Backbone interact. energy: -2.667
local terms energy: -873.730285
where:
bonds (distance) C4'-P energy: -166.299
bonds (distance) P-C4' energy: -167.461
flat angles C4'-P-C4' energy: -176.373
flat angles P-C4'-P energy: -127.670
tors. eta vs tors. theta energy: -235.928
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: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2712.973527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.973527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.517396 (E_RNA)
where:
Base-Base interactions energy: -1884.536
where: short stacking energy: -785.038
Base-Backbone interact. energy: -1.820
local terms energy: -828.161578
where:
bonds (distance) C4'-P energy: -152.331
bonds (distance) P-C4' energy: -153.323
flat angles C4'-P-C4' energy: -176.668
flat angles P-C4'-P energy: -113.896
tors. eta vs tors. theta energy: -231.944
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2506.162304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.162304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.381203 (E_RNA)
where:
Base-Base interactions energy: -1708.681
where: short stacking energy: -723.544
Base-Backbone interact. energy: -1.080
local terms energy: -798.619512
where:
bonds (distance) C4'-P energy: -139.922
bonds (distance) P-C4' energy: -149.846
flat angles C4'-P-C4' energy: -175.470
flat angles P-C4'-P energy: -121.261
tors. eta vs tors. theta energy: -212.120
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2420.722094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.722094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.548642 (E_RNA)
where:
Base-Base interactions energy: -1675.971
where: short stacking energy: -706.927
Base-Backbone interact. energy: -1.925
local terms energy: -744.652302
where:
bonds (distance) C4'-P energy: -153.490
bonds (distance) P-C4' energy: -155.142
flat angles C4'-P-C4' energy: -155.552
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -189.422
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2276.803535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.803535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.383320 (E_RNA)
where:
Base-Base interactions energy: -1547.493
where: short stacking energy: -671.874
Base-Backbone interact. energy: -2.110
local terms energy: -728.780294
where:
bonds (distance) C4'-P energy: -117.330
bonds (distance) P-C4' energy: -138.124
flat angles C4'-P-C4' energy: -168.197
flat angles P-C4'-P energy: -111.371
tors. eta vs tors. theta energy: -193.758
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: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2102.542245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.542245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.070881 (E_RNA)
where:
Base-Base interactions energy: -1414.305
where: short stacking energy: -613.980
Base-Backbone interact. energy: -4.208
local terms energy: -687.558314
where:
bonds (distance) C4'-P energy: -142.316
bonds (distance) P-C4' energy: -126.898
flat angles C4'-P-C4' energy: -158.265
flat angles P-C4'-P energy: -102.986
tors. eta vs tors. theta energy: -157.094
Dist. restrs. and SS energy: 3.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2014.204420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.204420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.760943 (E_RNA)
where:
Base-Base interactions energy: -1358.665
where: short stacking energy: -578.729
Base-Backbone interact. energy: -3.928
local terms energy: -654.167322
where:
bonds (distance) C4'-P energy: -121.670
bonds (distance) P-C4' energy: -146.092
flat angles C4'-P-C4' energy: -138.045
flat angles P-C4'-P energy: -103.154
tors. eta vs tors. theta energy: -145.207
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1908.405192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.405192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.571460 (E_RNA)
where:
Base-Base interactions energy: -1325.611
where: short stacking energy: -559.301
Base-Backbone interact. energy: -0.558
local terms energy: -588.402373
where:
bonds (distance) C4'-P energy: -113.899
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -132.591
flat angles P-C4'-P energy: -93.263
tors. eta vs tors. theta energy: -131.572
Dist. restrs. and SS energy: 6.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1841.792128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.792128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.090368 (E_RNA)
where:
Base-Base interactions energy: -1240.068
where: short stacking energy: -506.074
Base-Backbone interact. energy: -3.207
local terms energy: -600.815486
where:
bonds (distance) C4'-P energy: -136.225
bonds (distance) P-C4' energy: -114.365
flat angles C4'-P-C4' energy: -152.933
flat angles P-C4'-P energy: -85.659
tors. eta vs tors. theta energy: -111.634
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2916.884352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.884352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.271281 (E_RNA)
where:
Base-Base interactions energy: -2027.077
where: short stacking energy: -843.732
Base-Backbone interact. energy: 1.287
local terms energy: -892.480941
where:
bonds (distance) C4'-P energy: -163.326
bonds (distance) P-C4' energy: -167.056
flat angles C4'-P-C4' energy: -184.716
flat angles P-C4'-P energy: -131.330
tors. eta vs tors. theta energy: -246.053
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2829.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.811776 (E_RNA)
where:
Base-Base interactions energy: -1974.172
where: short stacking energy: -819.997
Base-Backbone interact. energy: 5.035
local terms energy: -861.675012
where:
bonds (distance) C4'-P energy: -167.073
bonds (distance) P-C4' energy: -163.626
flat angles C4'-P-C4' energy: -179.722
flat angles P-C4'-P energy: -118.029
tors. eta vs tors. theta energy: -233.226
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: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2688.847650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.847650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.410343 (E_RNA)
where:
Base-Base interactions energy: -1873.706
where: short stacking energy: -778.829
Base-Backbone interact. energy: -1.529
local terms energy: -814.174876
where:
bonds (distance) C4'-P energy: -148.112
bonds (distance) P-C4' energy: -145.400
flat angles C4'-P-C4' energy: -178.191
flat angles P-C4'-P energy: -118.526
tors. eta vs tors. theta energy: -223.945
Dist. restrs. and SS energy: 0.563 (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: 460
Temperature: 1.050000
Total energy: -2514.035025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.035025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.428076 (E_RNA)
where:
Base-Base interactions energy: -1733.132
where: short stacking energy: -756.691
Base-Backbone interact. energy: -2.203
local terms energy: -780.092923
where:
bonds (distance) C4'-P energy: -138.593
bonds (distance) P-C4' energy: -152.900
flat angles C4'-P-C4' energy: -161.817
flat angles P-C4'-P energy: -110.266
tors. eta vs tors. theta energy: -216.517
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2324.261247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.261247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.856373 (E_RNA)
where:
Base-Base interactions energy: -1548.238
where: short stacking energy: -660.738
Base-Backbone interact. energy: -1.987
local terms energy: -775.631782
where:
bonds (distance) C4'-P energy: -146.576
bonds (distance) P-C4' energy: -153.156
flat angles C4'-P-C4' energy: -169.725
flat angles P-C4'-P energy: -122.310
tors. eta vs tors. theta energy: -183.864
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: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2348.301049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.301049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.127730 (E_RNA)
where:
Base-Base interactions energy: -1649.918
where: short stacking energy: -699.815
Base-Backbone interact. energy: -0.712
local terms energy: -699.498095
where:
bonds (distance) C4'-P energy: -122.895
bonds (distance) P-C4' energy: -126.798
flat angles C4'-P-C4' energy: -161.199
flat angles P-C4'-P energy: -107.945
tors. eta vs tors. theta energy: -180.661
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2086.459513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.459513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.820001 (E_RNA)
where:
Base-Base interactions energy: -1418.931
where: short stacking energy: -571.788
Base-Backbone interact. energy: -1.015
local terms energy: -667.873865
where:
bonds (distance) C4'-P energy: -139.479
bonds (distance) P-C4' energy: -135.908
flat angles C4'-P-C4' energy: -143.791
flat angles P-C4'-P energy: -80.705
tors. eta vs tors. theta energy: -167.991
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2034.563631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.563631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.452994 (E_RNA)
where:
Base-Base interactions energy: -1380.989
where: short stacking energy: -568.832
Base-Backbone interact. energy: -3.832
local terms energy: -652.632148
where:
bonds (distance) C4'-P energy: -123.067
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -153.984
flat angles P-C4'-P energy: -99.875
tors. eta vs tors. theta energy: -153.320
Dist. restrs. and SS energy: 2.889 (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: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1992.457538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.457538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.258628 (E_RNA)
where:
Base-Base interactions energy: -1357.354
where: short stacking energy: -576.199
Base-Backbone interact. energy: 2.730
local terms energy: -640.634425
where:
bonds (distance) C4'-P energy: -119.678
bonds (distance) P-C4' energy: -110.334
flat angles C4'-P-C4' energy: -161.524
flat angles P-C4'-P energy: -97.467
tors. eta vs tors. theta energy: -151.632
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: 460
Temperature: 1.350000
Total energy: -1864.410624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.410624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.637511 (E_RNA)
where:
Base-Base interactions energy: -1295.468
where: short stacking energy: -543.111
Base-Backbone interact. energy: -4.282
local terms energy: -573.887244
where:
bonds (distance) C4'-P energy: -89.073
bonds (distance) P-C4' energy: -118.506
flat angles C4'-P-C4' energy: -140.341
flat angles P-C4'-P energy: -86.504
tors. eta vs tors. theta energy: -139.463
Dist. restrs. and SS energy: 9.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2907.348176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.348176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.827752 (E_RNA)
where:
Base-Base interactions energy: -2044.588
where: short stacking energy: -833.048
Base-Backbone interact. energy: -1.057
local terms energy: -863.182951
where:
bonds (distance) C4'-P energy: -165.028
bonds (distance) P-C4' energy: -162.238
flat angles C4'-P-C4' energy: -182.546
flat angles P-C4'-P energy: -123.205
tors. eta vs tors. theta energy: -230.167
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: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2832.374717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.374717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.664846 (E_RNA)
where:
Base-Base interactions energy: -1986.273
where: short stacking energy: -810.623
Base-Backbone interact. energy: 0.013
local terms energy: -847.404613
where:
bonds (distance) C4'-P energy: -140.159
bonds (distance) P-C4' energy: -169.102
flat angles C4'-P-C4' energy: -183.616
flat angles P-C4'-P energy: -116.015
tors. eta vs tors. theta energy: -238.513
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: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2708.464131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.464131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.790989 (E_RNA)
where:
Base-Base interactions energy: -1881.308
where: short stacking energy: -791.363
Base-Backbone interact. energy: -2.798
local terms energy: -826.684843
where:
bonds (distance) C4'-P energy: -149.852
bonds (distance) P-C4' energy: -153.733
flat angles C4'-P-C4' energy: -174.970
flat angles P-C4'-P energy: -119.305
tors. eta vs tors. theta energy: -228.824
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2532.293300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.293300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.088425 (E_RNA)
where:
Base-Base interactions energy: -1726.781
where: short stacking energy: -729.544
Base-Backbone interact. energy: -2.713
local terms energy: -804.594272
where:
bonds (distance) C4'-P energy: -142.874
bonds (distance) P-C4' energy: -142.938
flat angles C4'-P-C4' energy: -167.899
flat angles P-C4'-P energy: -123.102
tors. eta vs tors. theta energy: -227.781
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: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2357.337254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.337254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.778043 (E_RNA)
where:
Base-Base interactions energy: -1620.437
where: short stacking energy: -704.001
Base-Backbone interact. energy: -3.013
local terms energy: -736.327309
where:
bonds (distance) C4'-P energy: -144.233
bonds (distance) P-C4' energy: -126.435
flat angles C4'-P-C4' energy: -167.344
flat angles P-C4'-P energy: -97.950
tors. eta vs tors. theta energy: -200.365
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: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2352.645846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.645846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.911535 (E_RNA)
where:
Base-Base interactions energy: -1621.120
where: short stacking energy: -676.162
Base-Backbone interact. energy: -2.788
local terms energy: -733.003418
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -171.755
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -193.680
Dist. restrs. and SS energy: 4.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2039.955078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.955078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.324619 (E_RNA)
where:
Base-Base interactions energy: -1372.647
where: short stacking energy: -558.378
Base-Backbone interact. energy: -5.772
local terms energy: -663.905736
where:
bonds (distance) C4'-P energy: -131.897
bonds (distance) P-C4' energy: -146.438
flat angles C4'-P-C4' energy: -154.314
flat angles P-C4'-P energy: -97.855
tors. eta vs tors. theta energy: -133.402
Dist. restrs. and SS energy: 2.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2029.739148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.739148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.354033 (E_RNA)
where:
Base-Base interactions energy: -1394.631
where: short stacking energy: -605.181
Base-Backbone interact. energy: 0.525
local terms energy: -638.247902
where:
bonds (distance) C4'-P energy: -120.680
bonds (distance) P-C4' energy: -123.005
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -95.128
tors. eta vs tors. theta energy: -157.003
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1949.156331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.156331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.816120 (E_RNA)
where:
Base-Base interactions energy: -1351.972
where: short stacking energy: -564.153
Base-Backbone interact. energy: -1.578
local terms energy: -599.266737
where:
bonds (distance) C4'-P energy: -120.034
bonds (distance) P-C4' energy: -134.911
flat angles C4'-P-C4' energy: -142.562
flat angles P-C4'-P energy: -75.081
tors. eta vs tors. theta energy: -126.679
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: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1871.312220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.312220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.510862 (E_RNA)
where:
Base-Base interactions energy: -1249.590
where: short stacking energy: -526.166
Base-Backbone interact. energy: -1.616
local terms energy: -626.305155
where:
bonds (distance) C4'-P energy: -128.160
bonds (distance) P-C4' energy: -138.548
flat angles C4'-P-C4' energy: -138.085
flat angles P-C4'-P energy: -97.097
tors. eta vs tors. theta energy: -124.416
Dist. restrs. and SS energy: 6.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2919.781218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.781218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.901405 (E_RNA)
where:
Base-Base interactions energy: -2046.632
where: short stacking energy: -849.273
Base-Backbone interact. energy: -2.250
local terms energy: -872.018456
where:
bonds (distance) C4'-P energy: -152.012
bonds (distance) P-C4' energy: -158.491
flat angles C4'-P-C4' energy: -191.174
flat angles P-C4'-P energy: -122.785
tors. eta vs tors. theta energy: -247.557
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2794.272867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.272867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.067426 (E_RNA)
where:
Base-Base interactions energy: -1951.162
where: short stacking energy: -798.337
Base-Backbone interact. energy: -0.540
local terms energy: -844.365227
where:
bonds (distance) C4'-P energy: -143.846
bonds (distance) P-C4' energy: -156.485
flat angles C4'-P-C4' energy: -176.252
flat angles P-C4'-P energy: -124.797
tors. eta vs tors. theta energy: -242.985
Dist. restrs. and SS energy: 1.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2716.812208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.812208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.439484 (E_RNA)
where:
Base-Base interactions energy: -1903.663
where: short stacking energy: -778.119
Base-Backbone interact. energy: 2.174
local terms energy: -816.950103
where:
bonds (distance) C4'-P energy: -141.917
bonds (distance) P-C4' energy: -155.248
flat angles C4'-P-C4' energy: -169.272
flat angles P-C4'-P energy: -123.775
tors. eta vs tors. theta energy: -226.738
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2488.281723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.281723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.441756 (E_RNA)
where:
Base-Base interactions energy: -1711.989
where: short stacking energy: -732.183
Base-Backbone interact. energy: -2.584
local terms energy: -774.867999
where:
bonds (distance) C4'-P energy: -157.578
bonds (distance) P-C4' energy: -134.188
flat angles C4'-P-C4' energy: -176.972
flat angles P-C4'-P energy: -101.313
tors. eta vs tors. theta energy: -204.816
Dist. restrs. and SS energy: 1.160 (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: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2445.957064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.957064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.536450 (E_RNA)
where:
Base-Base interactions energy: -1659.671
where: short stacking energy: -688.776
Base-Backbone interact. energy: -1.818
local terms energy: -787.047423
where:
bonds (distance) C4'-P energy: -147.941
bonds (distance) P-C4' energy: -144.587
flat angles C4'-P-C4' energy: -175.823
flat angles P-C4'-P energy: -103.658
tors. eta vs tors. theta energy: -215.039
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: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2265.021702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.021702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.898538 (E_RNA)
where:
Base-Base interactions energy: -1575.293
where: short stacking energy: -645.500
Base-Backbone interact. energy: 0.504
local terms energy: -694.109915
where:
bonds (distance) C4'-P energy: -106.170
bonds (distance) P-C4' energy: -137.484
flat angles C4'-P-C4' energy: -167.160
flat angles P-C4'-P energy: -111.196
tors. eta vs tors. theta energy: -172.100
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: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2040.649721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.649721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.940904 (E_RNA)
where:
Base-Base interactions energy: -1408.564
where: short stacking energy: -570.509
Base-Backbone interact. energy: 3.788
local terms energy: -638.164288
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -130.731
flat angles C4'-P-C4' energy: -143.910
flat angles P-C4'-P energy: -101.673
tors. eta vs tors. theta energy: -156.789
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1973.459750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.459750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.359484 (E_RNA)
where:
Base-Base interactions energy: -1319.152
where: short stacking energy: -546.923
Base-Backbone interact. energy: -2.873
local terms energy: -654.334951
where:
bonds (distance) C4'-P energy: -122.415
bonds (distance) P-C4' energy: -135.862
flat angles C4'-P-C4' energy: -160.234
flat angles P-C4'-P energy: -103.831
tors. eta vs tors. theta energy: -131.993
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: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1930.871185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.871185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.154779 (E_RNA)
where:
Base-Base interactions energy: -1303.942
where: short stacking energy: -551.973
Base-Backbone interact. energy: 4.406
local terms energy: -635.618200
where:
bonds (distance) C4'-P energy: -123.032
bonds (distance) P-C4' energy: -135.024
flat angles C4'-P-C4' energy: -145.295
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -144.005
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: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1853.384891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.384891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.096491 (E_RNA)
where:
Base-Base interactions energy: -1262.621
where: short stacking energy: -539.154
Base-Backbone interact. energy: 4.662
local terms energy: -598.136962
where:
bonds (distance) C4'-P energy: -119.537
bonds (distance) P-C4' energy: -116.818
flat angles C4'-P-C4' energy: -157.660
flat angles P-C4'-P energy: -58.251
tors. eta vs tors. theta energy: -145.872
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: 1, replica: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2894.746677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.746677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.835791 (E_RNA)
where:
Base-Base interactions energy: -2025.586
where: short stacking energy: -828.221
Base-Backbone interact. energy: -0.877
local terms energy: -869.372521
where:
bonds (distance) C4'-P energy: -176.002
bonds (distance) P-C4' energy: -155.699
flat angles C4'-P-C4' energy: -180.537
flat angles P-C4'-P energy: -111.222
tors. eta vs tors. theta energy: -245.911
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2858.890347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.890347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.873879 (E_RNA)
where:
Base-Base interactions energy: -1980.985
where: short stacking energy: -797.026
Base-Backbone interact. energy: -1.259
local terms energy: -877.630292
where:
bonds (distance) C4'-P energy: -164.782
bonds (distance) P-C4' energy: -156.166
flat angles C4'-P-C4' energy: -185.451
flat angles P-C4'-P energy: -121.971
tors. eta vs tors. theta energy: -249.260
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: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2717.521716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.521716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.536644 (E_RNA)
where:
Base-Base interactions energy: -1854.259
where: short stacking energy: -775.842
Base-Backbone interact. energy: -0.421
local terms energy: -864.856164
where:
bonds (distance) C4'-P energy: -169.868
bonds (distance) P-C4' energy: -147.342
flat angles C4'-P-C4' energy: -180.072
flat angles P-C4'-P energy: -136.196
tors. eta vs tors. theta energy: -231.377
Dist. restrs. and SS energy: 2.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2498.220201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.220201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.126868 (E_RNA)
where:
Base-Base interactions energy: -1716.297
where: short stacking energy: -720.857
Base-Backbone interact. energy: -0.880
local terms energy: -782.949836
where:
bonds (distance) C4'-P energy: -151.894
bonds (distance) P-C4' energy: -171.577
flat angles C4'-P-C4' energy: -161.145
flat angles P-C4'-P energy: -94.442
tors. eta vs tors. theta energy: -203.891
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2436.706826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.706826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.662497 (E_RNA)
where:
Base-Base interactions energy: -1659.405
where: short stacking energy: -693.286
Base-Backbone interact. energy: -0.463
local terms energy: -778.794286
where:
bonds (distance) C4'-P energy: -142.428
bonds (distance) P-C4' energy: -167.106
flat angles C4'-P-C4' energy: -148.206
flat angles P-C4'-P energy: -119.816
tors. eta vs tors. theta energy: -201.238
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2290.261903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.261903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.238805 (E_RNA)
where:
Base-Base interactions energy: -1562.472
where: short stacking energy: -671.845
Base-Backbone interact. energy: 5.389
local terms energy: -736.155880
where:
bonds (distance) C4'-P energy: -134.428
bonds (distance) P-C4' energy: -146.905
flat angles C4'-P-C4' energy: -158.978
flat angles P-C4'-P energy: -111.170
tors. eta vs tors. theta energy: -184.675
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2091.605282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.605282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.576802 (E_RNA)
where:
Base-Base interactions energy: -1407.952
where: short stacking energy: -606.532
Base-Backbone interact. energy: 1.927
local terms energy: -687.551870
where:
bonds (distance) C4'-P energy: -138.940
bonds (distance) P-C4' energy: -145.125
flat angles C4'-P-C4' energy: -150.359
flat angles P-C4'-P energy: -94.992
tors. eta vs tors. theta energy: -158.135
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: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2036.497716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.497716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.515238 (E_RNA)
where:
Base-Base interactions energy: -1370.343
where: short stacking energy: -574.332
Base-Backbone interact. energy: 4.764
local terms energy: -674.936634
where:
bonds (distance) C4'-P energy: -152.173
bonds (distance) P-C4' energy: -143.873
flat angles C4'-P-C4' energy: -139.422
flat angles P-C4'-P energy: -96.435
tors. eta vs tors. theta energy: -143.034
Dist. restrs. and SS energy: 4.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1951.837379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.837379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.011932 (E_RNA)
where:
Base-Base interactions energy: -1343.639
where: short stacking energy: -558.088
Base-Backbone interact. energy: 3.468
local terms energy: -613.840759
where:
bonds (distance) C4'-P energy: -118.378
bonds (distance) P-C4' energy: -126.496
flat angles C4'-P-C4' energy: -146.001
flat angles P-C4'-P energy: -77.362
tors. eta vs tors. theta energy: -145.604
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: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1837.080855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.080855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.818222 (E_RNA)
where:
Base-Base interactions energy: -1271.778
where: short stacking energy: -523.716
Base-Backbone interact. energy: 1.765
local terms energy: -569.804978
where:
bonds (distance) C4'-P energy: -128.898
bonds (distance) P-C4' energy: -123.288
flat angles C4'-P-C4' energy: -135.721
flat angles P-C4'-P energy: -65.786
tors. eta vs tors. theta energy: -116.112
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: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2904.037774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.037774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.471839 (E_RNA)
where:
Base-Base interactions energy: -2013.183
where: short stacking energy: -823.266
Base-Backbone interact. energy: -4.812
local terms energy: -887.476905
where:
bonds (distance) C4'-P energy: -159.898
bonds (distance) P-C4' energy: -154.669
flat angles C4'-P-C4' energy: -195.102
flat angles P-C4'-P energy: -132.466
tors. eta vs tors. theta energy: -245.342
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2850.872630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.872630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.136774 (E_RNA)
where:
Base-Base interactions energy: -1997.119
where: short stacking energy: -824.415
Base-Backbone interact. energy: 0.799
local terms energy: -855.816679
where:
bonds (distance) C4'-P energy: -157.103
bonds (distance) P-C4' energy: -150.605
flat angles C4'-P-C4' energy: -179.114
flat angles P-C4'-P energy: -118.496
tors. eta vs tors. theta energy: -250.499
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2667.857135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.857135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.216637 (E_RNA)
where:
Base-Base interactions energy: -1879.632
where: short stacking energy: -790.093
Base-Backbone interact. energy: -4.163
local terms energy: -785.421633
where:
bonds (distance) C4'-P energy: -142.021
bonds (distance) P-C4' energy: -151.041
flat angles C4'-P-C4' energy: -165.919
flat angles P-C4'-P energy: -112.776
tors. eta vs tors. theta energy: -213.666
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2524.090267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.090267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.793433 (E_RNA)
where:
Base-Base interactions energy: -1769.544
where: short stacking energy: -790.456
Base-Backbone interact. energy: 12.310
local terms energy: -768.559642
where:
bonds (distance) C4'-P energy: -116.083
bonds (distance) P-C4' energy: -148.843
flat angles C4'-P-C4' energy: -175.592
flat angles P-C4'-P energy: -99.554
tors. eta vs tors. theta energy: -228.487
Dist. restrs. and SS energy: 1.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2411.063259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.063259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.922357 (E_RNA)
where:
Base-Base interactions energy: -1657.507
where: short stacking energy: -692.382
Base-Backbone interact. energy: -3.970
local terms energy: -752.445612
where:
bonds (distance) C4'-P energy: -142.612
bonds (distance) P-C4' energy: -145.899
flat angles C4'-P-C4' energy: -161.001
flat angles P-C4'-P energy: -103.900
tors. eta vs tors. theta energy: -199.034
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: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2316.059825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.059825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.208845 (E_RNA)
where:
Base-Base interactions energy: -1558.832
where: short stacking energy: -655.369
Base-Backbone interact. energy: -1.679
local terms energy: -758.697653
where:
bonds (distance) C4'-P energy: -156.640
bonds (distance) P-C4' energy: -137.921
flat angles C4'-P-C4' energy: -189.414
flat angles P-C4'-P energy: -92.522
tors. eta vs tors. theta energy: -182.200
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2069.001229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.001229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.667230 (E_RNA)
where:
Base-Base interactions energy: -1403.334
where: short stacking energy: -572.319
Base-Backbone interact. energy: -2.230
local terms energy: -665.102997
where:
bonds (distance) C4'-P energy: -121.171
bonds (distance) P-C4' energy: -151.461
flat angles C4'-P-C4' energy: -145.648
flat angles P-C4'-P energy: -92.595
tors. eta vs tors. theta energy: -154.228
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: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2035.242234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.242234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.915112 (E_RNA)
where:
Base-Base interactions energy: -1397.783
where: short stacking energy: -604.225
Base-Backbone interact. energy: -2.253
local terms energy: -640.879094
where:
bonds (distance) C4'-P energy: -122.560
bonds (distance) P-C4' energy: -139.980
flat angles C4'-P-C4' energy: -143.042
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -151.068
Dist. restrs. and SS energy: 5.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1898.717328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.717328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.849892 (E_RNA)
where:
Base-Base interactions energy: -1308.757
where: short stacking energy: -551.550
Base-Backbone interact. energy: 12.055
local terms energy: -605.148291
where:
bonds (distance) C4'-P energy: -117.874
bonds (distance) P-C4' energy: -132.376
flat angles C4'-P-C4' energy: -148.737
flat angles P-C4'-P energy: -66.466
tors. eta vs tors. theta energy: -139.695
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1850.786999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.786999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.565549 (E_RNA)
where:
Base-Base interactions energy: -1260.177
where: short stacking energy: -534.939
Base-Backbone interact. energy: 1.915
local terms energy: -596.303556
where:
bonds (distance) C4'-P energy: -127.007
bonds (distance) P-C4' energy: -147.359
flat angles C4'-P-C4' energy: -130.842
flat angles P-C4'-P energy: -68.423
tors. eta vs tors. theta energy: -122.673
Dist. restrs. and SS energy: 3.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2908.571322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.571322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.478822 (E_RNA)
where:
Base-Base interactions energy: -2014.379
where: short stacking energy: -838.187
Base-Backbone interact. energy: -0.197
local terms energy: -895.903678
where:
bonds (distance) C4'-P energy: -176.535
bonds (distance) P-C4' energy: -156.791
flat angles C4'-P-C4' energy: -186.222
flat angles P-C4'-P energy: -130.706
tors. eta vs tors. theta energy: -245.651
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: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2856.483010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.483010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.178232 (E_RNA)
where:
Base-Base interactions energy: -1996.112
where: short stacking energy: -816.600
Base-Backbone interact. energy: -0.923
local terms energy: -861.143058
where:
bonds (distance) C4'-P energy: -154.651
bonds (distance) P-C4' energy: -170.151
flat angles C4'-P-C4' energy: -174.123
flat angles P-C4'-P energy: -114.994
tors. eta vs tors. theta energy: -247.224
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: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2680.444989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.444989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.784597 (E_RNA)
where:
Base-Base interactions energy: -1834.461
where: short stacking energy: -784.322
Base-Backbone interact. energy: 4.315
local terms energy: -851.638893
where:
bonds (distance) C4'-P energy: -153.526
bonds (distance) P-C4' energy: -157.059
flat angles C4'-P-C4' energy: -185.262
flat angles P-C4'-P energy: -128.256
tors. eta vs tors. theta energy: -227.536
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: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2534.861601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.861601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.354037 (E_RNA)
where:
Base-Base interactions energy: -1720.914
where: short stacking energy: -738.314
Base-Backbone interact. energy: -1.934
local terms energy: -813.506244
where:
bonds (distance) C4'-P energy: -138.469
bonds (distance) P-C4' energy: -153.584
flat angles C4'-P-C4' energy: -185.391
flat angles P-C4'-P energy: -112.201
tors. eta vs tors. theta energy: -223.862
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2361.426429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.426429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.851896 (E_RNA)
where:
Base-Base interactions energy: -1597.213
where: short stacking energy: -664.363
Base-Backbone interact. energy: -1.527
local terms energy: -764.111798
where:
bonds (distance) C4'-P energy: -138.738
bonds (distance) P-C4' energy: -160.153
flat angles C4'-P-C4' energy: -168.799
flat angles P-C4'-P energy: -121.839
tors. eta vs tors. theta energy: -174.583
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2291.909124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.909124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.742198 (E_RNA)
where:
Base-Base interactions energy: -1550.835
where: short stacking energy: -651.859
Base-Backbone interact. energy: -3.861
local terms energy: -740.046535
where:
bonds (distance) C4'-P energy: -150.745
bonds (distance) P-C4' energy: -141.025
flat angles C4'-P-C4' energy: -175.557
flat angles P-C4'-P energy: -88.785
tors. eta vs tors. theta energy: -183.933
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: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2162.574641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.574641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.871879 (E_RNA)
where:
Base-Base interactions energy: -1450.851
where: short stacking energy: -605.733
Base-Backbone interact. energy: -4.138
local terms energy: -708.882055
where:
bonds (distance) C4'-P energy: -130.068
bonds (distance) P-C4' energy: -136.019
flat angles C4'-P-C4' energy: -154.766
flat angles P-C4'-P energy: -102.526
tors. eta vs tors. theta energy: -185.504
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: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2007.604245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.604245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.486643 (E_RNA)
where:
Base-Base interactions energy: -1366.551
where: short stacking energy: -533.315
Base-Backbone interact. energy: -2.866
local terms energy: -640.069596
where:
bonds (distance) C4'-P energy: -125.715
bonds (distance) P-C4' energy: -139.585
flat angles C4'-P-C4' energy: -141.162
flat angles P-C4'-P energy: -93.149
tors. eta vs tors. theta energy: -140.458
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1957.327743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.327743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.891626 (E_RNA)
where:
Base-Base interactions energy: -1312.079
where: short stacking energy: -552.052
Base-Backbone interact. energy: -0.932
local terms energy: -647.880533
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -125.470
flat angles C4'-P-C4' energy: -164.085
flat angles P-C4'-P energy: -91.379
tors. eta vs tors. theta energy: -144.439
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: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1791.753329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.753329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.435983 (E_RNA)
where:
Base-Base interactions energy: -1218.030
where: short stacking energy: -499.376
Base-Backbone interact. energy: 3.625
local terms energy: -583.030773
where:
bonds (distance) C4'-P energy: -113.074
bonds (distance) P-C4' energy: -133.784
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -129.063
Dist. restrs. and SS energy: 5.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2925.601758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.601758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.326095 (E_RNA)
where:
Base-Base interactions energy: -2052.057
where: short stacking energy: -831.977
Base-Backbone interact. energy: -3.471
local terms energy: -870.798478
where:
bonds (distance) C4'-P energy: -151.972
bonds (distance) P-C4' energy: -166.561
flat angles C4'-P-C4' energy: -181.718
flat angles P-C4'-P energy: -119.743
tors. eta vs tors. theta energy: -250.804
Dist. restrs. and SS energy: 0.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2880.343139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.343139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.506813 (E_RNA)
where:
Base-Base interactions energy: -1993.880
where: short stacking energy: -823.120
Base-Backbone interact. energy: -2.072
local terms energy: -885.554925
where:
bonds (distance) C4'-P energy: -168.276
bonds (distance) P-C4' energy: -171.761
flat angles C4'-P-C4' energy: -185.755
flat angles P-C4'-P energy: -118.699
tors. eta vs tors. theta energy: -241.064
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: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2669.830683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.830683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.243044 (E_RNA)
where:
Base-Base interactions energy: -1851.026
where: short stacking energy: -769.670
Base-Backbone interact. energy: -4.054
local terms energy: -816.163224
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -153.849
flat angles C4'-P-C4' energy: -181.263
flat angles P-C4'-P energy: -120.435
tors. eta vs tors. theta energy: -229.306
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: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2553.655027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.655027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.824239 (E_RNA)
where:
Base-Base interactions energy: -1731.367
where: short stacking energy: -740.870
Base-Backbone interact. energy: -1.075
local terms energy: -823.381770
where:
bonds (distance) C4'-P energy: -159.141
bonds (distance) P-C4' energy: -159.595
flat angles C4'-P-C4' energy: -173.363
flat angles P-C4'-P energy: -108.847
tors. eta vs tors. theta energy: -222.436
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: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2396.783097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.783097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.028592 (E_RNA)
where:
Base-Base interactions energy: -1633.360
where: short stacking energy: -674.725
Base-Backbone interact. energy: -3.065
local terms energy: -761.603647
where:
bonds (distance) C4'-P energy: -139.754
bonds (distance) P-C4' energy: -153.294
flat angles C4'-P-C4' energy: -176.111
flat angles P-C4'-P energy: -111.036
tors. eta vs tors. theta energy: -181.408
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2223.730275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.730275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.966582 (E_RNA)
where:
Base-Base interactions energy: -1506.250
where: short stacking energy: -644.238
Base-Backbone interact. energy: -4.133
local terms energy: -716.583413
where:
bonds (distance) C4'-P energy: -133.743
bonds (distance) P-C4' energy: -143.707
flat angles C4'-P-C4' energy: -165.657
flat angles P-C4'-P energy: -102.116
tors. eta vs tors. theta energy: -171.361
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: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2173.447200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.447200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.266987 (E_RNA)
where:
Base-Base interactions energy: -1454.969
where: short stacking energy: -623.467
Base-Backbone interact. energy: -2.504
local terms energy: -717.794043
where:
bonds (distance) C4'-P energy: -125.670
bonds (distance) P-C4' energy: -147.892
flat angles C4'-P-C4' energy: -156.271
flat angles P-C4'-P energy: -107.085
tors. eta vs tors. theta energy: -180.875
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: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2023.981019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.981019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.829587 (E_RNA)
where:
Base-Base interactions energy: -1386.318
where: short stacking energy: -592.827
Base-Backbone interact. energy: 5.727
local terms energy: -645.238624
where:
bonds (distance) C4'-P energy: -124.033
bonds (distance) P-C4' energy: -129.705
flat angles C4'-P-C4' energy: -150.274
flat angles P-C4'-P energy: -89.215
tors. eta vs tors. theta energy: -152.011
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1939.775485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.775485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.822065 (E_RNA)
where:
Base-Base interactions energy: -1292.865
where: short stacking energy: -532.041
Base-Backbone interact. energy: 6.334
local terms energy: -656.291091
where:
bonds (distance) C4'-P energy: -125.901
bonds (distance) P-C4' energy: -150.131
flat angles C4'-P-C4' energy: -148.710
flat angles P-C4'-P energy: -93.502
tors. eta vs tors. theta energy: -138.047
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: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1842.217347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.217347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.373550 (E_RNA)
where:
Base-Base interactions energy: -1258.571
where: short stacking energy: -557.426
Base-Backbone interact. energy: -1.685
local terms energy: -585.117445
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -129.312
flat angles P-C4'-P energy: -78.154
tors. eta vs tors. theta energy: -134.244
Dist. restrs. and SS energy: 3.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2887.138376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.138376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.549557 (E_RNA)
where:
Base-Base interactions energy: -1981.888
where: short stacking energy: -809.589
Base-Backbone interact. energy: -2.805
local terms energy: -903.856774
where:
bonds (distance) C4'-P energy: -154.089
bonds (distance) P-C4' energy: -164.557
flat angles C4'-P-C4' energy: -190.618
flat angles P-C4'-P energy: -146.174
tors. eta vs tors. theta energy: -248.419
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: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2862.869338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.869338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.412183 (E_RNA)
where:
Base-Base interactions energy: -1993.434
where: short stacking energy: -835.740
Base-Backbone interact. energy: -2.386
local terms energy: -869.592490
where:
bonds (distance) C4'-P energy: -153.629
bonds (distance) P-C4' energy: -169.691
flat angles C4'-P-C4' energy: -174.352
flat angles P-C4'-P energy: -120.268
tors. eta vs tors. theta energy: -251.653
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: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2740.278615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.278615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.543999 (E_RNA)
where:
Base-Base interactions energy: -1908.233
where: short stacking energy: -778.349
Base-Backbone interact. energy: -3.439
local terms energy: -830.871547
where:
bonds (distance) C4'-P energy: -146.780
bonds (distance) P-C4' energy: -159.297
flat angles C4'-P-C4' energy: -179.388
flat angles P-C4'-P energy: -118.796
tors. eta vs tors. theta energy: -226.611
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: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2580.864288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.864288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.924271 (E_RNA)
where:
Base-Base interactions energy: -1746.456
where: short stacking energy: -736.948
Base-Backbone interact. energy: -3.308
local terms energy: -832.160377
where:
bonds (distance) C4'-P energy: -150.553
bonds (distance) P-C4' energy: -158.965
flat angles C4'-P-C4' energy: -183.049
flat angles P-C4'-P energy: -112.978
tors. eta vs tors. theta energy: -226.615
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: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2388.007450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.007450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.289397 (E_RNA)
where:
Base-Base interactions energy: -1646.425
where: short stacking energy: -690.284
Base-Backbone interact. energy: 0.061
local terms energy: -743.924802
where:
bonds (distance) C4'-P energy: -122.561
bonds (distance) P-C4' energy: -149.327
flat angles C4'-P-C4' energy: -170.649
flat angles P-C4'-P energy: -104.441
tors. eta vs tors. theta energy: -196.947
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: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2245.326752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.326752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.621854 (E_RNA)
where:
Base-Base interactions energy: -1524.715
where: short stacking energy: -658.102
Base-Backbone interact. energy: 2.004
local terms energy: -723.911594
where:
bonds (distance) C4'-P energy: -127.752
bonds (distance) P-C4' energy: -171.124
flat angles C4'-P-C4' energy: -153.429
flat angles P-C4'-P energy: -87.324
tors. eta vs tors. theta energy: -184.283
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: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2112.544659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.544659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.997049 (E_RNA)
where:
Base-Base interactions energy: -1433.548
where: short stacking energy: -604.155
Base-Backbone interact. energy: 0.964
local terms energy: -682.412632
where:
bonds (distance) C4'-P energy: -147.258
bonds (distance) P-C4' energy: -130.735
flat angles C4'-P-C4' energy: -171.794
flat angles P-C4'-P energy: -73.522
tors. eta vs tors. theta energy: -159.104
Dist. restrs. and SS energy: 2.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2026.933494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.933494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.598205 (E_RNA)
where:
Base-Base interactions energy: -1360.629
where: short stacking energy: -586.869
Base-Backbone interact. energy: -0.868
local terms energy: -667.100746
where:
bonds (distance) C4'-P energy: -123.727
bonds (distance) P-C4' energy: -155.636
flat angles C4'-P-C4' energy: -144.301
flat angles P-C4'-P energy: -99.431
tors. eta vs tors. theta energy: -144.006
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: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1910.185409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.185409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.994751 (E_RNA)
where:
Base-Base interactions energy: -1277.619
where: short stacking energy: -550.964
Base-Backbone interact. energy: -0.693
local terms energy: -634.682449
where:
bonds (distance) C4'-P energy: -133.001
bonds (distance) P-C4' energy: -137.660
flat angles C4'-P-C4' energy: -134.757
flat angles P-C4'-P energy: -87.409
tors. eta vs tors. theta energy: -141.856
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: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1858.696445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.696445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.579405 (E_RNA)
where:
Base-Base interactions energy: -1273.459
where: short stacking energy: -551.150
Base-Backbone interact. energy: 4.499
local terms energy: -600.619782
where:
bonds (distance) C4'-P energy: -108.715
bonds (distance) P-C4' energy: -150.481
flat angles C4'-P-C4' energy: -151.532
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 10.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2882.879246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.879246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.511699 (E_RNA)
where:
Base-Base interactions energy: -1996.197
where: short stacking energy: -839.872
Base-Backbone interact. energy: -2.080
local terms energy: -886.234818
where:
bonds (distance) C4'-P energy: -157.672
bonds (distance) P-C4' energy: -169.940
flat angles C4'-P-C4' energy: -178.091
flat angles P-C4'-P energy: -123.728
tors. eta vs tors. theta energy: -256.803
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: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2843.088785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.088785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.221886 (E_RNA)
where:
Base-Base interactions energy: -1989.618
where: short stacking energy: -817.985
Base-Backbone interact. energy: -3.599
local terms energy: -852.005101
where:
bonds (distance) C4'-P energy: -161.182
bonds (distance) P-C4' energy: -159.532
flat angles C4'-P-C4' energy: -184.967
flat angles P-C4'-P energy: -109.640
tors. eta vs tors. theta energy: -236.684
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: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2721.151695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.151695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.219014 (E_RNA)
where:
Base-Base interactions energy: -1908.931
where: short stacking energy: -800.149
Base-Backbone interact. energy: -0.359
local terms energy: -813.928606
where:
bonds (distance) C4'-P energy: -150.629
bonds (distance) P-C4' energy: -148.496
flat angles C4'-P-C4' energy: -175.172
flat angles P-C4'-P energy: -110.761
tors. eta vs tors. theta energy: -228.871
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: 468
Temperature: 1.050000
Total energy: -2585.332581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.332581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.059383 (E_RNA)
where:
Base-Base interactions energy: -1768.730
where: short stacking energy: -761.861
Base-Backbone interact. energy: -2.969
local terms energy: -815.360439
where:
bonds (distance) C4'-P energy: -140.320
bonds (distance) P-C4' energy: -151.319
flat angles C4'-P-C4' energy: -170.606
flat angles P-C4'-P energy: -113.593
tors. eta vs tors. theta energy: -239.523
Dist. restrs. and SS energy: 1.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2370.187061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.187061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.464845 (E_RNA)
where:
Base-Base interactions energy: -1673.402
where: short stacking energy: -686.396
Base-Backbone interact. energy: 0.344
local terms energy: -699.406676
where:
bonds (distance) C4'-P energy: -129.338
bonds (distance) P-C4' energy: -135.876
flat angles C4'-P-C4' energy: -163.182
flat angles P-C4'-P energy: -86.604
tors. eta vs tors. theta energy: -184.407
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2236.157229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.157229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.491957 (E_RNA)
where:
Base-Base interactions energy: -1533.020
where: short stacking energy: -648.987
Base-Backbone interact. energy: 2.981
local terms energy: -708.453133
where:
bonds (distance) C4'-P energy: -125.878
bonds (distance) P-C4' energy: -156.068
flat angles C4'-P-C4' energy: -159.168
flat angles P-C4'-P energy: -87.995
tors. eta vs tors. theta energy: -179.344
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2116.030005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.030005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.573087 (E_RNA)
where:
Base-Base interactions energy: -1461.761
where: short stacking energy: -616.276
Base-Backbone interact. energy: 2.548
local terms energy: -660.360589
where:
bonds (distance) C4'-P energy: -133.693
bonds (distance) P-C4' energy: -125.706
flat angles C4'-P-C4' energy: -141.879
flat angles P-C4'-P energy: -98.923
tors. eta vs tors. theta energy: -160.159
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2073.916790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.916790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.093326 (E_RNA)
where:
Base-Base interactions energy: -1423.977
where: short stacking energy: -632.547
Base-Backbone interact. energy: 2.243
local terms energy: -654.359572
where:
bonds (distance) C4'-P energy: -119.913
bonds (distance) P-C4' energy: -151.784
flat angles C4'-P-C4' energy: -143.880
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: -160.092
Dist. restrs. and SS energy: 2.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1879.776541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.776541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.687895 (E_RNA)
where:
Base-Base interactions energy: -1286.935
where: short stacking energy: -542.742
Base-Backbone interact. energy: -3.753
local terms energy: -599.999572
where:
bonds (distance) C4'-P energy: -129.506
bonds (distance) P-C4' energy: -121.429
flat angles C4'-P-C4' energy: -135.375
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -140.906
Dist. restrs. and SS energy: 10.911 (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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1864.616221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.616221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.219577 (E_RNA)
where:
Base-Base interactions energy: -1243.333
where: short stacking energy: -512.577
Base-Backbone interact. energy: -3.121
local terms energy: -621.765511
where:
bonds (distance) C4'-P energy: -131.203
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -136.416
flat angles P-C4'-P energy: -100.287
tors. eta vs tors. theta energy: -122.345
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2892.569267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.569267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.585691 (E_RNA)
where:
Base-Base interactions energy: -2005.034
where: short stacking energy: -860.899
Base-Backbone interact. energy: -2.945
local terms energy: -885.606157
where:
bonds (distance) C4'-P energy: -156.258
bonds (distance) P-C4' energy: -174.119
flat angles C4'-P-C4' energy: -177.732
flat angles P-C4'-P energy: -129.109
tors. eta vs tors. theta energy: -248.388
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2886.686603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.686603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.314446 (E_RNA)
where:
Base-Base interactions energy: -2000.903
where: short stacking energy: -835.794
Base-Backbone interact. energy: 5.026
local terms energy: -893.437215
where:
bonds (distance) C4'-P energy: -169.772
bonds (distance) P-C4' energy: -168.823
flat angles C4'-P-C4' energy: -188.615
flat angles P-C4'-P energy: -113.660
tors. eta vs tors. theta energy: -252.567
Dist. restrs. and SS energy: 2.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2687.720708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.720708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.419311 (E_RNA)
where:
Base-Base interactions energy: -1860.769
where: short stacking energy: -764.723
Base-Backbone interact. energy: -3.709
local terms energy: -824.941681
where:
bonds (distance) C4'-P energy: -141.777
bonds (distance) P-C4' energy: -159.645
flat angles C4'-P-C4' energy: -172.104
flat angles P-C4'-P energy: -127.610
tors. eta vs tors. theta energy: -223.806
Dist. restrs. and SS energy: 1.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2554.547477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.547477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.656530 (E_RNA)
where:
Base-Base interactions energy: -1748.512
where: short stacking energy: -738.481
Base-Backbone interact. energy: -3.028
local terms energy: -805.116642
where:
bonds (distance) C4'-P energy: -144.283
bonds (distance) P-C4' energy: -161.313
flat angles C4'-P-C4' energy: -171.791
flat angles P-C4'-P energy: -98.882
tors. eta vs tors. theta energy: -228.847
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: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2417.182934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.182934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.830428 (E_RNA)
where:
Base-Base interactions energy: -1669.398
where: short stacking energy: -707.831
Base-Backbone interact. energy: -3.923
local terms energy: -745.509615
where:
bonds (distance) C4'-P energy: -150.705
bonds (distance) P-C4' energy: -136.469
flat angles C4'-P-C4' energy: -163.590
flat angles P-C4'-P energy: -104.034
tors. eta vs tors. theta energy: -190.711
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2256.472008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.472008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.408394 (E_RNA)
where:
Base-Base interactions energy: -1547.153
where: short stacking energy: -634.116
Base-Backbone interact. energy: -1.870
local terms energy: -709.384731
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -152.959
flat angles C4'-P-C4' energy: -161.076
flat angles P-C4'-P energy: -91.042
tors. eta vs tors. theta energy: -177.355
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2121.187641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.187641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.604255 (E_RNA)
where:
Base-Base interactions energy: -1414.285
where: short stacking energy: -610.225
Base-Backbone interact. energy: 2.992
local terms energy: -712.311497
where:
bonds (distance) C4'-P energy: -137.480
bonds (distance) P-C4' energy: -146.999
flat angles C4'-P-C4' energy: -157.318
flat angles P-C4'-P energy: -104.776
tors. eta vs tors. theta energy: -165.739
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1989.964563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.964563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.169016 (E_RNA)
where:
Base-Base interactions energy: -1333.598
where: short stacking energy: -560.764
Base-Backbone interact. energy: 1.207
local terms energy: -660.777776
where:
bonds (distance) C4'-P energy: -134.607
bonds (distance) P-C4' energy: -129.469
flat angles C4'-P-C4' energy: -159.526
flat angles P-C4'-P energy: -90.274
tors. eta vs tors. theta energy: -146.903
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: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1944.851222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.851222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.316519 (E_RNA)
where:
Base-Base interactions energy: -1333.177
where: short stacking energy: -551.919
Base-Backbone interact. energy: 2.564
local terms energy: -618.703573
where:
bonds (distance) C4'-P energy: -101.064
bonds (distance) P-C4' energy: -153.292
flat angles C4'-P-C4' energy: -143.993
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -133.843
Dist. restrs. and SS energy: 4.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1852.926432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.926432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.697360 (E_RNA)
where:
Base-Base interactions energy: -1265.797
where: short stacking energy: -507.830
Base-Backbone interact. energy: 0.365
local terms energy: -593.266120
where:
bonds (distance) C4'-P energy: -114.719
bonds (distance) P-C4' energy: -141.955
flat angles C4'-P-C4' energy: -120.568
flat angles P-C4'-P energy: -98.264
tors. eta vs tors. theta energy: -117.760
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2931.379852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.379852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.328046 (E_RNA)
where:
Base-Base interactions energy: -2029.369
where: short stacking energy: -854.199
Base-Backbone interact. energy: -1.731
local terms energy: -902.228219
where:
bonds (distance) C4'-P energy: -160.355
bonds (distance) P-C4' energy: -163.783
flat angles C4'-P-C4' energy: -187.626
flat angles P-C4'-P energy: -141.964
tors. eta vs tors. theta energy: -248.501
Dist. restrs. and SS energy: 1.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2865.463917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.463917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.729214 (E_RNA)
where:
Base-Base interactions energy: -2014.714
where: short stacking energy: -836.125
Base-Backbone interact. energy: 7.000
local terms energy: -859.014916
where:
bonds (distance) C4'-P energy: -166.519
bonds (distance) P-C4' energy: -148.299
flat angles C4'-P-C4' energy: -177.946
flat angles P-C4'-P energy: -122.032
tors. eta vs tors. theta energy: -244.219
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2702.840319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.840319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.905199 (E_RNA)
where:
Base-Base interactions energy: -1890.304
where: short stacking energy: -757.631
Base-Backbone interact. energy: -2.199
local terms energy: -811.402378
where:
bonds (distance) C4'-P energy: -149.076
bonds (distance) P-C4' energy: -161.785
flat angles C4'-P-C4' energy: -170.008
flat angles P-C4'-P energy: -115.135
tors. eta vs tors. theta energy: -215.399
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: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2570.946792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.946792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.372293 (E_RNA)
where:
Base-Base interactions energy: -1749.162
where: short stacking energy: -775.498
Base-Backbone interact. energy: 1.899
local terms energy: -826.109716
where:
bonds (distance) C4'-P energy: -135.828
bonds (distance) P-C4' energy: -161.253
flat angles C4'-P-C4' energy: -182.026
flat angles P-C4'-P energy: -111.675
tors. eta vs tors. theta energy: -235.327
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: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2382.498119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.498119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.117439 (E_RNA)
where:
Base-Base interactions energy: -1634.609
where: short stacking energy: -703.208
Base-Backbone interact. energy: -4.621
local terms energy: -743.887875
where:
bonds (distance) C4'-P energy: -126.964
bonds (distance) P-C4' energy: -146.783
flat angles C4'-P-C4' energy: -163.147
flat angles P-C4'-P energy: -113.450
tors. eta vs tors. theta energy: -193.544
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2245.074435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.074435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.371562 (E_RNA)
where:
Base-Base interactions energy: -1563.758
where: short stacking energy: -674.205
Base-Backbone interact. energy: 0.312
local terms energy: -683.926187
where:
bonds (distance) C4'-P energy: -126.574
bonds (distance) P-C4' energy: -137.231
flat angles C4'-P-C4' energy: -161.065
flat angles P-C4'-P energy: -84.520
tors. eta vs tors. theta energy: -174.536
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2106.773163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.773163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.785353 (E_RNA)
where:
Base-Base interactions energy: -1397.359
where: short stacking energy: -611.741
Base-Backbone interact. energy: -4.740
local terms energy: -707.686671
where:
bonds (distance) C4'-P energy: -122.704
bonds (distance) P-C4' energy: -148.126
flat angles C4'-P-C4' energy: -172.501
flat angles P-C4'-P energy: -95.935
tors. eta vs tors. theta energy: -168.421
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: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2027.461485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.461485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.063110 (E_RNA)
where:
Base-Base interactions energy: -1357.096
where: short stacking energy: -570.257
Base-Backbone interact. energy: -4.393
local terms energy: -667.574139
where:
bonds (distance) C4'-P energy: -134.812
bonds (distance) P-C4' energy: -126.582
flat angles C4'-P-C4' energy: -156.354
flat angles P-C4'-P energy: -101.550
tors. eta vs tors. theta energy: -148.277
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: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1921.448974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.448974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.257866 (E_RNA)
where:
Base-Base interactions energy: -1319.177
where: short stacking energy: -566.444
Base-Backbone interact. energy: 0.312
local terms energy: -606.393381
where:
bonds (distance) C4'-P energy: -110.476
bonds (distance) P-C4' energy: -123.776
flat angles C4'-P-C4' energy: -147.047
flat angles P-C4'-P energy: -87.222
tors. eta vs tors. theta energy: -137.872
Dist. restrs. and SS energy: 3.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1813.879195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.879195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.382727 (E_RNA)
where:
Base-Base interactions energy: -1225.097
where: short stacking energy: -517.158
Base-Backbone interact. energy: 6.706
local terms energy: -598.992078
where:
bonds (distance) C4'-P energy: -135.151
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -145.097
flat angles P-C4'-P energy: -68.980
tors. eta vs tors. theta energy: -120.525
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: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2939.389321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.389321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.479420 (E_RNA)
where:
Base-Base interactions energy: -2040.358
where: short stacking energy: -842.226
Base-Backbone interact. energy: 4.403
local terms energy: -905.524267
where:
bonds (distance) C4'-P energy: -166.972
bonds (distance) P-C4' energy: -163.895
flat angles C4'-P-C4' energy: -185.503
flat angles P-C4'-P energy: -141.144
tors. eta vs tors. theta energy: -248.011
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: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2844.664239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.664239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.887809 (E_RNA)
where:
Base-Base interactions energy: -1973.464
where: short stacking energy: -814.814
Base-Backbone interact. energy: -2.185
local terms energy: -871.238755
where:
bonds (distance) C4'-P energy: -160.154
bonds (distance) P-C4' energy: -154.691
flat angles C4'-P-C4' energy: -188.387
flat angles P-C4'-P energy: -126.219
tors. eta vs tors. theta energy: -241.787
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: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2712.405076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.405076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.623112 (E_RNA)
where:
Base-Base interactions energy: -1876.994
where: short stacking energy: -787.746
Base-Backbone interact. energy: -3.570
local terms energy: -834.059532
where:
bonds (distance) C4'-P energy: -141.284
bonds (distance) P-C4' energy: -157.317
flat angles C4'-P-C4' energy: -187.939
flat angles P-C4'-P energy: -116.363
tors. eta vs tors. theta energy: -231.156
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2631.924216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.924216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.542467 (E_RNA)
where:
Base-Base interactions energy: -1792.726
where: short stacking energy: -755.344
Base-Backbone interact. energy: -1.208
local terms energy: -840.608390
where:
bonds (distance) C4'-P energy: -148.735
bonds (distance) P-C4' energy: -150.907
flat angles C4'-P-C4' energy: -179.400
flat angles P-C4'-P energy: -119.118
tors. eta vs tors. theta energy: -242.449
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2370.678958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.678958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.888094 (E_RNA)
where:
Base-Base interactions energy: -1603.373
where: short stacking energy: -682.293
Base-Backbone interact. energy: -2.289
local terms energy: -767.225973
where:
bonds (distance) C4'-P energy: -143.340
bonds (distance) P-C4' energy: -150.484
flat angles C4'-P-C4' energy: -164.737
flat angles P-C4'-P energy: -110.171
tors. eta vs tors. theta energy: -198.494
Dist. restrs. and SS energy: 2.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2165.687779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.687779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.605364 (E_RNA)
where:
Base-Base interactions energy: -1489.144
where: short stacking energy: -629.896
Base-Backbone interact. energy: -0.117
local terms energy: -678.344802
where:
bonds (distance) C4'-P energy: -135.187
bonds (distance) P-C4' energy: -125.038
flat angles C4'-P-C4' energy: -165.129
flat angles P-C4'-P energy: -98.104
tors. eta vs tors. theta energy: -154.887
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2155.436306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.436306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.975140 (E_RNA)
where:
Base-Base interactions energy: -1454.382
where: short stacking energy: -616.547
Base-Backbone interact. energy: -0.251
local terms energy: -702.342287
where:
bonds (distance) C4'-P energy: -138.117
bonds (distance) P-C4' energy: -155.212
flat angles C4'-P-C4' energy: -135.485
flat angles P-C4'-P energy: -92.713
tors. eta vs tors. theta energy: -180.816
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: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2001.570973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.570973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.702521 (E_RNA)
where:
Base-Base interactions energy: -1365.758
where: short stacking energy: -581.633
Base-Backbone interact. energy: 3.043
local terms energy: -641.987644
where:
bonds (distance) C4'-P energy: -115.579
bonds (distance) P-C4' energy: -135.515
flat angles C4'-P-C4' energy: -146.253
flat angles P-C4'-P energy: -99.048
tors. eta vs tors. theta energy: -145.592
Dist. restrs. and SS energy: 3.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1920.082019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.082019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.325741 (E_RNA)
where:
Base-Base interactions energy: -1318.828
where: short stacking energy: -537.189
Base-Backbone interact. energy: 1.933
local terms energy: -607.430302
where:
bonds (distance) C4'-P energy: -125.258
bonds (distance) P-C4' energy: -131.460
flat angles C4'-P-C4' energy: -149.175
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -122.676
Dist. restrs. and SS energy: 4.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1835.680651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.680651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.230229 (E_RNA)
where:
Base-Base interactions energy: -1282.663
where: short stacking energy: -541.614
Base-Backbone interact. energy: 8.809
local terms energy: -564.376163
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -112.835
flat angles C4'-P-C4' energy: -137.579
flat angles P-C4'-P energy: -79.286
tors. eta vs tors. theta energy: -134.438
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: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2937.625472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.625472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.463529 (E_RNA)
where:
Base-Base interactions energy: -2034.705
where: short stacking energy: -849.508
Base-Backbone interact. energy: 1.714
local terms energy: -907.473375
where:
bonds (distance) C4'-P energy: -158.913
bonds (distance) P-C4' energy: -161.049
flat angles C4'-P-C4' energy: -205.206
flat angles P-C4'-P energy: -128.292
tors. eta vs tors. theta energy: -254.014
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2812.128240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.128240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.084119 (E_RNA)
where:
Base-Base interactions energy: -1959.946
where: short stacking energy: -811.670
Base-Backbone interact. energy: 1.245
local terms energy: -856.383344
where:
bonds (distance) C4'-P energy: -154.888
bonds (distance) P-C4' energy: -152.079
flat angles C4'-P-C4' energy: -183.573
flat angles P-C4'-P energy: -118.702
tors. eta vs tors. theta energy: -247.142
Dist. restrs. and SS energy: 2.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2718.578039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.578039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.159837 (E_RNA)
where:
Base-Base interactions energy: -1909.049
where: short stacking energy: -778.755
Base-Backbone interact. energy: -0.936
local terms energy: -810.175083
where:
bonds (distance) C4'-P energy: -160.021
bonds (distance) P-C4' energy: -131.727
flat angles C4'-P-C4' energy: -178.469
flat angles P-C4'-P energy: -112.344
tors. eta vs tors. theta energy: -227.613
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: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2614.469645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.469645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.722795 (E_RNA)
where:
Base-Base interactions energy: -1808.588
where: short stacking energy: -761.788
Base-Backbone interact. energy: 6.571
local terms energy: -815.705739
where:
bonds (distance) C4'-P energy: -140.847
bonds (distance) P-C4' energy: -159.514
flat angles C4'-P-C4' energy: -179.887
flat angles P-C4'-P energy: -101.758
tors. eta vs tors. theta energy: -233.699
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: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2399.471670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.776455 (E_RNA)
where:
Base-Base interactions energy: -1618.214
where: short stacking energy: -705.612
Base-Backbone interact. energy: 2.093
local terms energy: -785.656238
where:
bonds (distance) C4'-P energy: -151.091
bonds (distance) P-C4' energy: -150.639
flat angles C4'-P-C4' energy: -166.944
flat angles P-C4'-P energy: -110.796
tors. eta vs tors. theta energy: -206.187
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: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2185.916350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.916350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.098159 (E_RNA)
where:
Base-Base interactions energy: -1505.701
where: short stacking energy: -629.891
Base-Backbone interact. energy: -3.566
local terms energy: -681.831567
where:
bonds (distance) C4'-P energy: -116.350
bonds (distance) P-C4' energy: -140.044
flat angles C4'-P-C4' energy: -158.312
flat angles P-C4'-P energy: -107.120
tors. eta vs tors. theta energy: -160.006
Dist. restrs. and SS energy: 5.182 (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: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2115.815094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.815094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.077287 (E_RNA)
where:
Base-Base interactions energy: -1426.291
where: short stacking energy: -648.865
Base-Backbone interact. energy: 1.076
local terms energy: -692.862902
where:
bonds (distance) C4'-P energy: -126.353
bonds (distance) P-C4' energy: -132.668
flat angles C4'-P-C4' energy: -150.230
flat angles P-C4'-P energy: -102.275
tors. eta vs tors. theta energy: -181.338
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: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1997.057422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.057422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.149937 (E_RNA)
where:
Base-Base interactions energy: -1334.414
where: short stacking energy: -562.827
Base-Backbone interact. energy: 3.400
local terms energy: -669.135887
where:
bonds (distance) C4'-P energy: -153.465
bonds (distance) P-C4' energy: -132.452
flat angles C4'-P-C4' energy: -157.644
flat angles P-C4'-P energy: -89.485
tors. eta vs tors. theta energy: -136.089
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: 472
Temperature: 1.300000
Total energy: -1897.258572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.258572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.983778 (E_RNA)
where:
Base-Base interactions energy: -1291.932
where: short stacking energy: -562.207
Base-Backbone interact. energy: -0.603
local terms energy: -612.448623
where:
bonds (distance) C4'-P energy: -119.972
bonds (distance) P-C4' energy: -135.763
flat angles C4'-P-C4' energy: -148.942
flat angles P-C4'-P energy: -70.307
tors. eta vs tors. theta energy: -137.464
Dist. restrs. and SS energy: 7.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1858.814149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.814149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.385461 (E_RNA)
where:
Base-Base interactions energy: -1236.667
where: short stacking energy: -521.057
Base-Backbone interact. energy: -3.026
local terms energy: -621.693100
where:
bonds (distance) C4'-P energy: -117.302
bonds (distance) P-C4' energy: -139.812
flat angles C4'-P-C4' energy: -150.407
flat angles P-C4'-P energy: -69.498
tors. eta vs tors. theta energy: -144.673
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: 473
Temperature: 0.900000
Total energy: -2928.903190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.903190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.470393 (E_RNA)
where:
Base-Base interactions energy: -2024.824
where: short stacking energy: -849.130
Base-Backbone interact. energy: -2.373
local terms energy: -904.273499
where:
bonds (distance) C4'-P energy: -170.982
bonds (distance) P-C4' energy: -162.796
flat angles C4'-P-C4' energy: -188.412
flat angles P-C4'-P energy: -131.029
tors. eta vs tors. theta energy: -251.054
Dist. restrs. and SS energy: 2.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2802.183991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.183991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.481661 (E_RNA)
where:
Base-Base interactions energy: -1929.852
where: short stacking energy: -808.981
Base-Backbone interact. energy: -1.964
local terms energy: -872.665399
where:
bonds (distance) C4'-P energy: -168.717
bonds (distance) P-C4' energy: -168.813
flat angles C4'-P-C4' energy: -184.787
flat angles P-C4'-P energy: -111.374
tors. eta vs tors. theta energy: -238.974
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2704.555939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.555939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.201851 (E_RNA)
where:
Base-Base interactions energy: -1867.781
where: short stacking energy: -791.124
Base-Backbone interact. energy: 4.228
local terms energy: -842.648658
where:
bonds (distance) C4'-P energy: -144.293
bonds (distance) P-C4' energy: -169.533
flat angles C4'-P-C4' energy: -177.758
flat angles P-C4'-P energy: -122.713
tors. eta vs tors. theta energy: -228.352
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: 473
Temperature: 1.050000
Total energy: -2599.453230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.453230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.462704 (E_RNA)
where:
Base-Base interactions energy: -1780.899
where: short stacking energy: -745.236
Base-Backbone interact. energy: -1.037
local terms energy: -819.526266
where:
bonds (distance) C4'-P energy: -152.622
bonds (distance) P-C4' energy: -148.118
flat angles C4'-P-C4' energy: -177.369
flat angles P-C4'-P energy: -109.669
tors. eta vs tors. theta energy: -231.748
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: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2381.696376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.696376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.838447 (E_RNA)
where:
Base-Base interactions energy: -1635.567
where: short stacking energy: -679.951
Base-Backbone interact. energy: -2.243
local terms energy: -747.028733
where:
bonds (distance) C4'-P energy: -126.374
bonds (distance) P-C4' energy: -161.635
flat angles C4'-P-C4' energy: -165.218
flat angles P-C4'-P energy: -110.034
tors. eta vs tors. theta energy: -183.769
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: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2160.297276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.297276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.196871 (E_RNA)
where:
Base-Base interactions energy: -1453.261
where: short stacking energy: -605.928
Base-Backbone interact. energy: -0.091
local terms energy: -708.845423
where:
bonds (distance) C4'-P energy: -138.577
bonds (distance) P-C4' energy: -144.120
flat angles C4'-P-C4' energy: -156.067
flat angles P-C4'-P energy: -105.613
tors. eta vs tors. theta energy: -164.469
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: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2139.622244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.622244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.449496 (E_RNA)
where:
Base-Base interactions energy: -1441.593
where: short stacking energy: -612.200
Base-Backbone interact. energy: 2.450
local terms energy: -703.305675
where:
bonds (distance) C4'-P energy: -142.249
bonds (distance) P-C4' energy: -146.085
flat angles C4'-P-C4' energy: -142.854
flat angles P-C4'-P energy: -102.888
tors. eta vs tors. theta energy: -169.230
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: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1999.363390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.363390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.097457 (E_RNA)
where:
Base-Base interactions energy: -1368.056
where: short stacking energy: -577.415
Base-Backbone interact. energy: -1.449
local terms energy: -632.592373
where:
bonds (distance) C4'-P energy: -127.730
bonds (distance) P-C4' energy: -125.535
flat angles C4'-P-C4' energy: -132.587
flat angles P-C4'-P energy: -98.591
tors. eta vs tors. theta energy: -148.149
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: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1884.243533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.243533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.494422 (E_RNA)
where:
Base-Base interactions energy: -1269.756
where: short stacking energy: -514.711
Base-Backbone interact. energy: -1.379
local terms energy: -615.359795
where:
bonds (distance) C4'-P energy: -115.640
bonds (distance) P-C4' energy: -153.586
flat angles C4'-P-C4' energy: -137.336
flat angles P-C4'-P energy: -69.623
tors. eta vs tors. theta energy: -139.175
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: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1841.234482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.234482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.995182 (E_RNA)
where:
Base-Base interactions energy: -1294.061
where: short stacking energy: -542.867
Base-Backbone interact. energy: 3.812
local terms energy: -554.746710
where:
bonds (distance) C4'-P energy: -97.496
bonds (distance) P-C4' energy: -139.702
flat angles C4'-P-C4' energy: -127.259
flat angles P-C4'-P energy: -60.440
tors. eta vs tors. theta energy: -129.850
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2907.390036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.390036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.160537 (E_RNA)
where:
Base-Base interactions energy: -2001.808
where: short stacking energy: -861.370
Base-Backbone interact. energy: -2.447
local terms energy: -905.905134
where:
bonds (distance) C4'-P energy: -171.183
bonds (distance) P-C4' energy: -167.034
flat angles C4'-P-C4' energy: -191.148
flat angles P-C4'-P energy: -124.132
tors. eta vs tors. theta energy: -252.408
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2820.089350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.089350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.539451 (E_RNA)
where:
Base-Base interactions energy: -1972.953
where: short stacking energy: -811.399
Base-Backbone interact. energy: -1.383
local terms energy: -847.203533
where:
bonds (distance) C4'-P energy: -154.127
bonds (distance) P-C4' energy: -156.264
flat angles C4'-P-C4' energy: -178.490
flat angles P-C4'-P energy: -118.745
tors. eta vs tors. theta energy: -239.578
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2744.677228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.677228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.673450 (E_RNA)
where:
Base-Base interactions energy: -1908.258
where: short stacking energy: -819.410
Base-Backbone interact. energy: -5.067
local terms energy: -833.348601
where:
bonds (distance) C4'-P energy: -157.521
bonds (distance) P-C4' energy: -153.372
flat angles C4'-P-C4' energy: -180.630
flat angles P-C4'-P energy: -110.088
tors. eta vs tors. theta energy: -231.739
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: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2571.117169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.117169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.177923 (E_RNA)
where:
Base-Base interactions energy: -1808.941
where: short stacking energy: -765.915
Base-Backbone interact. energy: -3.074
local terms energy: -760.162688
where:
bonds (distance) C4'-P energy: -125.608
bonds (distance) P-C4' energy: -146.184
flat angles C4'-P-C4' energy: -167.992
flat angles P-C4'-P energy: -89.056
tors. eta vs tors. theta energy: -231.322
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2334.158497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.158497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.695208 (E_RNA)
where:
Base-Base interactions energy: -1619.125
where: short stacking energy: -665.888
Base-Backbone interact. energy: -2.631
local terms energy: -713.939110
where:
bonds (distance) C4'-P energy: -143.170
bonds (distance) P-C4' energy: -149.015
flat angles C4'-P-C4' energy: -168.860
flat angles P-C4'-P energy: -85.992
tors. eta vs tors. theta energy: -166.902
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2202.957289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.957289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.895619 (E_RNA)
where:
Base-Base interactions energy: -1507.685
where: short stacking energy: -639.256
Base-Backbone interact. energy: 7.169
local terms energy: -704.379621
where:
bonds (distance) C4'-P energy: -134.652
bonds (distance) P-C4' energy: -138.401
flat angles C4'-P-C4' energy: -156.818
flat angles P-C4'-P energy: -96.663
tors. eta vs tors. theta energy: -177.847
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: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2178.266534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.266534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.954732 (E_RNA)
where:
Base-Base interactions energy: -1504.863
where: short stacking energy: -623.444
Base-Backbone interact. energy: -0.108
local terms energy: -675.983452
where:
bonds (distance) C4'-P energy: -129.656
bonds (distance) P-C4' energy: -126.995
flat angles C4'-P-C4' energy: -149.162
flat angles P-C4'-P energy: -98.453
tors. eta vs tors. theta energy: -171.717
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2044.760342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.760342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.465349 (E_RNA)
where:
Base-Base interactions energy: -1397.596
where: short stacking energy: -575.533
Base-Backbone interact. energy: 1.514
local terms energy: -650.384269
where:
bonds (distance) C4'-P energy: -141.885
bonds (distance) P-C4' energy: -132.235
flat angles C4'-P-C4' energy: -140.309
flat angles P-C4'-P energy: -87.366
tors. eta vs tors. theta energy: -148.589
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1920.909299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.909299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.224403 (E_RNA)
where:
Base-Base interactions energy: -1296.762
where: short stacking energy: -540.616
Base-Backbone interact. energy: 3.630
local terms energy: -631.092530
where:
bonds (distance) C4'-P energy: -147.821
bonds (distance) P-C4' energy: -129.070
flat angles C4'-P-C4' energy: -146.504
flat angles P-C4'-P energy: -83.483
tors. eta vs tors. theta energy: -124.216
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: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1869.008545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.008545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.330534 (E_RNA)
where:
Base-Base interactions energy: -1252.492
where: short stacking energy: -521.167
Base-Backbone interact. energy: 5.607
local terms energy: -624.445723
where:
bonds (distance) C4'-P energy: -136.269
bonds (distance) P-C4' energy: -137.767
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -92.308
tors. eta vs tors. theta energy: -135.807
Dist. restrs. and SS energy: 2.322 (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: 475
Temperature: 0.900000
Total energy: -2925.737348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.737348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.795387 (E_RNA)
where:
Base-Base interactions energy: -2059.025
where: short stacking energy: -829.327
Base-Backbone interact. energy: -3.919
local terms energy: -863.851774
where:
bonds (distance) C4'-P energy: -153.925
bonds (distance) P-C4' energy: -157.490
flat angles C4'-P-C4' energy: -184.113
flat angles P-C4'-P energy: -115.695
tors. eta vs tors. theta energy: -252.629
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2825.467250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.467250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.007714 (E_RNA)
where:
Base-Base interactions energy: -1980.388
where: short stacking energy: -831.737
Base-Backbone interact. energy: -1.054
local terms energy: -845.565514
where:
bonds (distance) C4'-P energy: -159.048
bonds (distance) P-C4' energy: -157.067
flat angles C4'-P-C4' energy: -174.200
flat angles P-C4'-P energy: -110.968
tors. eta vs tors. theta energy: -244.282
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: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2753.192369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.192369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.146242 (E_RNA)
where:
Base-Base interactions energy: -1917.002
where: short stacking energy: -786.549
Base-Backbone interact. energy: -0.690
local terms energy: -837.453431
where:
bonds (distance) C4'-P energy: -141.008
bonds (distance) P-C4' energy: -157.138
flat angles C4'-P-C4' energy: -170.555
flat angles P-C4'-P energy: -135.894
tors. eta vs tors. theta energy: -232.858
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: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2588.235873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.235873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.821613 (E_RNA)
where:
Base-Base interactions energy: -1821.741
where: short stacking energy: -754.700
Base-Backbone interact. energy: 1.765
local terms energy: -769.845261
where:
bonds (distance) C4'-P energy: -136.623
bonds (distance) P-C4' energy: -139.732
flat angles C4'-P-C4' energy: -158.869
flat angles P-C4'-P energy: -107.372
tors. eta vs tors. theta energy: -227.249
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: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2339.915691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.915691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.007402 (E_RNA)
where:
Base-Base interactions energy: -1578.652
where: short stacking energy: -690.280
Base-Backbone interact. energy: -2.222
local terms energy: -761.133492
where:
bonds (distance) C4'-P energy: -153.523
bonds (distance) P-C4' energy: -135.706
flat angles C4'-P-C4' energy: -171.434
flat angles P-C4'-P energy: -104.273
tors. eta vs tors. theta energy: -196.198
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: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2276.468259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.468259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.471033 (E_RNA)
where:
Base-Base interactions energy: -1571.906
where: short stacking energy: -656.940
Base-Backbone interact. energy: -0.705
local terms energy: -705.860205
where:
bonds (distance) C4'-P energy: -122.515
bonds (distance) P-C4' energy: -129.118
flat angles C4'-P-C4' energy: -164.527
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -189.223
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: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2147.517109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.517109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.392064 (E_RNA)
where:
Base-Base interactions energy: -1436.548
where: short stacking energy: -614.270
Base-Backbone interact. energy: 2.986
local terms energy: -717.829877
where:
bonds (distance) C4'-P energy: -131.959
bonds (distance) P-C4' energy: -145.559
flat angles C4'-P-C4' energy: -163.905
flat angles P-C4'-P energy: -117.074
tors. eta vs tors. theta energy: -159.332
Dist. restrs. and SS energy: 3.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2042.807312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.807312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.068933 (E_RNA)
where:
Base-Base interactions energy: -1372.803
where: short stacking energy: -588.240
Base-Backbone interact. energy: -1.467
local terms energy: -671.799527
where:
bonds (distance) C4'-P energy: -127.322
bonds (distance) P-C4' energy: -139.581
flat angles C4'-P-C4' energy: -138.327
flat angles P-C4'-P energy: -85.382
tors. eta vs tors. theta energy: -181.188
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1956.587193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.587193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.823004 (E_RNA)
where:
Base-Base interactions energy: -1322.470
where: short stacking energy: -561.025
Base-Backbone interact. energy: 4.191
local terms energy: -641.544148
where:
bonds (distance) C4'-P energy: -126.989
bonds (distance) P-C4' energy: -137.714
flat angles C4'-P-C4' energy: -150.280
flat angles P-C4'-P energy: -86.831
tors. eta vs tors. theta energy: -139.730
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: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1881.451802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.451802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.883657 (E_RNA)
where:
Base-Base interactions energy: -1292.699
where: short stacking energy: -529.310
Base-Backbone interact. energy: -3.597
local terms energy: -588.587603
where:
bonds (distance) C4'-P energy: -114.743
bonds (distance) P-C4' energy: -109.332
flat angles C4'-P-C4' energy: -144.552
flat angles P-C4'-P energy: -87.260
tors. eta vs tors. theta energy: -132.700
Dist. restrs. and SS energy: 3.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2933.447176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.447176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.522456 (E_RNA)
where:
Base-Base interactions energy: -2049.991
where: short stacking energy: -859.766
Base-Backbone interact. energy: -3.199
local terms energy: -881.333015
where:
bonds (distance) C4'-P energy: -154.550
bonds (distance) P-C4' energy: -177.275
flat angles C4'-P-C4' energy: -180.516
flat angles P-C4'-P energy: -118.602
tors. eta vs tors. theta energy: -250.389
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: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2862.298847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.298847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.321084 (E_RNA)
where:
Base-Base interactions energy: -1987.164
where: short stacking energy: -839.825
Base-Backbone interact. energy: -3.106
local terms energy: -874.051156
where:
bonds (distance) C4'-P energy: -154.448
bonds (distance) P-C4' energy: -150.442
flat angles C4'-P-C4' energy: -193.289
flat angles P-C4'-P energy: -130.789
tors. eta vs tors. theta energy: -245.084
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2715.823544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.823544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.939101 (E_RNA)
where:
Base-Base interactions energy: -1908.019
where: short stacking energy: -779.357
Base-Backbone interact. energy: -4.611
local terms energy: -806.309265
where:
bonds (distance) C4'-P energy: -159.274
bonds (distance) P-C4' energy: -153.912
flat angles C4'-P-C4' energy: -167.440
flat angles P-C4'-P energy: -96.473
tors. eta vs tors. theta energy: -229.211
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: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2606.717160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.717160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.520209 (E_RNA)
where:
Base-Base interactions energy: -1811.961
where: short stacking energy: -761.912
Base-Backbone interact. energy: -0.559
local terms energy: -796.000886
where:
bonds (distance) C4'-P energy: -128.533
bonds (distance) P-C4' energy: -131.065
flat angles C4'-P-C4' energy: -188.778
flat angles P-C4'-P energy: -124.217
tors. eta vs tors. theta energy: -223.408
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: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2361.913742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.913742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.851272 (E_RNA)
where:
Base-Base interactions energy: -1630.900
where: short stacking energy: -704.074
Base-Backbone interact. energy: -1.365
local terms energy: -731.585847
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -156.837
flat angles C4'-P-C4' energy: -170.432
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -181.761
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: 476
Temperature: 1.150000
Total energy: -2258.821270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.821270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.285961 (E_RNA)
where:
Base-Base interactions energy: -1532.609
where: short stacking energy: -666.801
Base-Backbone interact. energy: 2.032
local terms energy: -730.709021
where:
bonds (distance) C4'-P energy: -142.805
bonds (distance) P-C4' energy: -148.595
flat angles C4'-P-C4' energy: -163.382
flat angles P-C4'-P energy: -96.481
tors. eta vs tors. theta energy: -179.446
Dist. restrs. and SS energy: 2.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2133.827725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.827725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.662892 (E_RNA)
where:
Base-Base interactions energy: -1398.267
where: short stacking energy: -592.353
Base-Backbone interact. energy: 2.090
local terms energy: -739.485874
where:
bonds (distance) C4'-P energy: -150.698
bonds (distance) P-C4' energy: -151.656
flat angles C4'-P-C4' energy: -153.568
flat angles P-C4'-P energy: -108.660
tors. eta vs tors. theta energy: -174.903
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: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2063.967339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.967339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.234200 (E_RNA)
where:
Base-Base interactions energy: -1434.894
where: short stacking energy: -590.258
Base-Backbone interact. energy: 5.467
local terms energy: -636.807264
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -126.413
flat angles C4'-P-C4' energy: -128.931
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -150.148
Dist. restrs. and SS energy: 2.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1917.756980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.756980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.535270 (E_RNA)
where:
Base-Base interactions energy: -1331.439
where: short stacking energy: -521.283
Base-Backbone interact. energy: -1.813
local terms energy: -588.283552
where:
bonds (distance) C4'-P energy: -131.488
bonds (distance) P-C4' energy: -120.545
flat angles C4'-P-C4' energy: -147.529
flat angles P-C4'-P energy: -56.080
tors. eta vs tors. theta energy: -132.642
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: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1842.999994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.999994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.111571 (E_RNA)
where:
Base-Base interactions energy: -1265.698
where: short stacking energy: -510.000
Base-Backbone interact. energy: 0.842
local terms energy: -580.255267
where:
bonds (distance) C4'-P energy: -110.455
bonds (distance) P-C4' energy: -140.805
flat angles C4'-P-C4' energy: -128.527
flat angles P-C4'-P energy: -88.104
tors. eta vs tors. theta energy: -112.365
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2959.762623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.762623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.261942 (E_RNA)
where:
Base-Base interactions energy: -2069.280
where: short stacking energy: -879.349
Base-Backbone interact. energy: 0.906
local terms energy: -892.888009
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -163.101
flat angles C4'-P-C4' energy: -188.300
flat angles P-C4'-P energy: -129.297
tors. eta vs tors. theta energy: -263.519
Dist. restrs. and SS energy: 1.499 (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: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2843.490319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.490319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.477246 (E_RNA)
where:
Base-Base interactions energy: -2000.058
where: short stacking energy: -808.646
Base-Backbone interact. energy: -4.382
local terms energy: -840.037113
where:
bonds (distance) C4'-P energy: -138.450
bonds (distance) P-C4' energy: -157.601
flat angles C4'-P-C4' energy: -177.569
flat angles P-C4'-P energy: -124.795
tors. eta vs tors. theta energy: -241.622
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: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2747.410790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.410790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.840902 (E_RNA)
where:
Base-Base interactions energy: -1926.975
where: short stacking energy: -772.455
Base-Backbone interact. energy: -0.898
local terms energy: -822.967744
where:
bonds (distance) C4'-P energy: -147.613
bonds (distance) P-C4' energy: -165.491
flat angles C4'-P-C4' energy: -181.581
flat angles P-C4'-P energy: -106.368
tors. eta vs tors. theta energy: -221.914
Dist. restrs. and SS energy: 3.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2565.561828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.561828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.604317 (E_RNA)
where:
Base-Base interactions energy: -1780.818
where: short stacking energy: -735.799
Base-Backbone interact. energy: 0.296
local terms energy: -787.082552
where:
bonds (distance) C4'-P energy: -134.433
bonds (distance) P-C4' energy: -161.879
flat angles C4'-P-C4' energy: -168.741
flat angles P-C4'-P energy: -103.294
tors. eta vs tors. theta energy: -218.735
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: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2324.548810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.548810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.602106 (E_RNA)
where:
Base-Base interactions energy: -1567.096
where: short stacking energy: -673.252
Base-Backbone interact. energy: 0.155
local terms energy: -759.661218
where:
bonds (distance) C4'-P energy: -130.197
bonds (distance) P-C4' energy: -150.269
flat angles C4'-P-C4' energy: -163.883
flat angles P-C4'-P energy: -115.270
tors. eta vs tors. theta energy: -200.042
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: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2255.823320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.823320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.038569 (E_RNA)
where:
Base-Base interactions energy: -1551.717
where: short stacking energy: -657.415
Base-Backbone interact. energy: -4.060
local terms energy: -702.260818
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -130.498
flat angles C4'-P-C4' energy: -157.471
flat angles P-C4'-P energy: -112.970
tors. eta vs tors. theta energy: -178.798
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: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2080.717261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.717261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.913374 (E_RNA)
where:
Base-Base interactions energy: -1392.033
where: short stacking energy: -594.087
Base-Backbone interact. energy: 2.661
local terms energy: -694.541773
where:
bonds (distance) C4'-P energy: -115.063
bonds (distance) P-C4' energy: -152.286
flat angles C4'-P-C4' energy: -165.962
flat angles P-C4'-P energy: -97.440
tors. eta vs tors. theta energy: -163.791
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: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1985.031562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.031562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.575699 (E_RNA)
where:
Base-Base interactions energy: -1348.289
where: short stacking energy: -568.598
Base-Backbone interact. energy: 2.640
local terms energy: -643.926567
where:
bonds (distance) C4'-P energy: -126.948
bonds (distance) P-C4' energy: -126.781
flat angles C4'-P-C4' energy: -156.181
flat angles P-C4'-P energy: -86.668
tors. eta vs tors. theta energy: -147.349
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1953.010816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.010816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.079894 (E_RNA)
where:
Base-Base interactions energy: -1291.893
where: short stacking energy: -539.565
Base-Backbone interact. energy: -1.371
local terms energy: -662.816019
where:
bonds (distance) C4'-P energy: -124.635
bonds (distance) P-C4' energy: -139.282
flat angles C4'-P-C4' energy: -149.792
flat angles P-C4'-P energy: -109.731
tors. eta vs tors. theta energy: -139.377
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1857.294549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.294549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.195859 (E_RNA)
where:
Base-Base interactions energy: -1239.586
where: short stacking energy: -498.700
Base-Backbone interact. energy: 4.063
local terms energy: -628.672645
where:
bonds (distance) C4'-P energy: -138.385
bonds (distance) P-C4' energy: -144.970
flat angles C4'-P-C4' energy: -123.112
flat angles P-C4'-P energy: -88.516
tors. eta vs tors. theta energy: -133.690
Dist. restrs. and SS energy: 6.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2928.746563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.746563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.430610 (E_RNA)
where:
Base-Base interactions energy: -2049.023
where: short stacking energy: -869.115
Base-Backbone interact. energy: -3.875
local terms energy: -877.533438
where:
bonds (distance) C4'-P energy: -155.488
bonds (distance) P-C4' energy: -159.366
flat angles C4'-P-C4' energy: -183.708
flat angles P-C4'-P energy: -120.548
tors. eta vs tors. theta energy: -258.424
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2803.836541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.836541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.207909 (E_RNA)
where:
Base-Base interactions energy: -1924.588
where: short stacking energy: -786.144
Base-Backbone interact. energy: -4.996
local terms energy: -876.624319
where:
bonds (distance) C4'-P energy: -164.592
bonds (distance) P-C4' energy: -145.487
flat angles C4'-P-C4' energy: -196.561
flat angles P-C4'-P energy: -130.964
tors. eta vs tors. theta energy: -239.020
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: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2679.170369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.170369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.738621 (E_RNA)
where:
Base-Base interactions energy: -1854.824
where: short stacking energy: -765.505
Base-Backbone interact. energy: -2.159
local terms energy: -825.755376
where:
bonds (distance) C4'-P energy: -147.032
bonds (distance) P-C4' energy: -159.656
flat angles C4'-P-C4' energy: -171.164
flat angles P-C4'-P energy: -120.410
tors. eta vs tors. theta energy: -227.493
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2513.429264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.429264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.715073 (E_RNA)
where:
Base-Base interactions energy: -1719.276
where: short stacking energy: -714.808
Base-Backbone interact. energy: -0.801
local terms energy: -795.638269
where:
bonds (distance) C4'-P energy: -130.654
bonds (distance) P-C4' energy: -160.944
flat angles C4'-P-C4' energy: -176.666
flat angles P-C4'-P energy: -118.146
tors. eta vs tors. theta energy: -209.228
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2295.363620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.363620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.811382 (E_RNA)
where:
Base-Base interactions energy: -1568.236
where: short stacking energy: -661.191
Base-Backbone interact. energy: -2.260
local terms energy: -726.315419
where:
bonds (distance) C4'-P energy: -146.085
bonds (distance) P-C4' energy: -146.752
flat angles C4'-P-C4' energy: -159.906
flat angles P-C4'-P energy: -95.929
tors. eta vs tors. theta energy: -177.644
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: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2289.693506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.693506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.882562 (E_RNA)
where:
Base-Base interactions energy: -1568.229
where: short stacking energy: -658.484
Base-Backbone interact. energy: 0.086
local terms energy: -723.739864
where:
bonds (distance) C4'-P energy: -142.250
bonds (distance) P-C4' energy: -131.566
flat angles C4'-P-C4' energy: -138.216
flat angles P-C4'-P energy: -115.705
tors. eta vs tors. theta energy: -196.003
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: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2137.956470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.956470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.369000 (E_RNA)
where:
Base-Base interactions energy: -1437.082
where: short stacking energy: -633.032
Base-Backbone interact. energy: 7.933
local terms energy: -711.220283
where:
bonds (distance) C4'-P energy: -142.481
bonds (distance) P-C4' energy: -136.177
flat angles C4'-P-C4' energy: -151.586
flat angles P-C4'-P energy: -98.248
tors. eta vs tors. theta energy: -182.728
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2005.237599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.237599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.041905 (E_RNA)
where:
Base-Base interactions energy: -1364.318
where: short stacking energy: -565.692
Base-Backbone interact. energy: 5.008
local terms energy: -648.730969
where:
bonds (distance) C4'-P energy: -130.725
bonds (distance) P-C4' energy: -151.182
flat angles C4'-P-C4' energy: -145.687
flat angles P-C4'-P energy: -94.658
tors. eta vs tors. theta energy: -126.480
Dist. restrs. and SS energy: 2.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1977.115395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.115395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.014462 (E_RNA)
where:
Base-Base interactions energy: -1354.378
where: short stacking energy: -553.932
Base-Backbone interact. energy: 2.379
local terms energy: -628.015003
where:
bonds (distance) C4'-P energy: -114.565
bonds (distance) P-C4' energy: -136.706
flat angles C4'-P-C4' energy: -138.694
flat angles P-C4'-P energy: -90.790
tors. eta vs tors. theta energy: -147.260
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1788.986412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.986412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.599131 (E_RNA)
where:
Base-Base interactions energy: -1248.445
where: short stacking energy: -516.121
Base-Backbone interact. energy: 4.542
local terms energy: -549.696181
where:
bonds (distance) C4'-P energy: -105.044
bonds (distance) P-C4' energy: -132.790
flat angles C4'-P-C4' energy: -129.460
flat angles P-C4'-P energy: -75.627
tors. eta vs tors. theta energy: -106.775
Dist. restrs. and SS energy: 4.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2924.139426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.139426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.512043 (E_RNA)
where:
Base-Base interactions energy: -2031.056
where: short stacking energy: -822.677
Base-Backbone interact. energy: -3.677
local terms energy: -890.779217
where:
bonds (distance) C4'-P energy: -162.956
bonds (distance) P-C4' energy: -158.613
flat angles C4'-P-C4' energy: -195.616
flat angles P-C4'-P energy: -125.729
tors. eta vs tors. theta energy: -247.864
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: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2813.723481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.723481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.821434 (E_RNA)
where:
Base-Base interactions energy: -1964.513
where: short stacking energy: -827.741
Base-Backbone interact. energy: -4.870
local terms energy: -845.437543
where:
bonds (distance) C4'-P energy: -148.770
bonds (distance) P-C4' energy: -161.539
flat angles C4'-P-C4' energy: -183.609
flat angles P-C4'-P energy: -115.515
tors. eta vs tors. theta energy: -236.004
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: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2709.860611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.860611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.166757 (E_RNA)
where:
Base-Base interactions energy: -1882.845
where: short stacking energy: -766.229
Base-Backbone interact. energy: -3.716
local terms energy: -825.605269
where:
bonds (distance) C4'-P energy: -159.893
bonds (distance) P-C4' energy: -157.959
flat angles C4'-P-C4' energy: -181.218
flat angles P-C4'-P energy: -100.996
tors. eta vs tors. theta energy: -225.541
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: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2553.891881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.754484 (E_RNA)
where:
Base-Base interactions energy: -1766.363
where: short stacking energy: -756.639
Base-Backbone interact. energy: 2.830
local terms energy: -792.222391
where:
bonds (distance) C4'-P energy: -153.390
bonds (distance) P-C4' energy: -135.328
flat angles C4'-P-C4' energy: -171.735
flat angles P-C4'-P energy: -103.232
tors. eta vs tors. theta energy: -228.537
Dist. restrs. and SS energy: 1.863 (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: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2287.532984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.532984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.263472 (E_RNA)
where:
Base-Base interactions energy: -1533.527
where: short stacking energy: -659.455
Base-Backbone interact. energy: 1.915
local terms energy: -757.651855
where:
bonds (distance) C4'-P energy: -151.903
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -165.790
flat angles P-C4'-P energy: -111.895
tors. eta vs tors. theta energy: -183.033
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: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2348.542537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.542537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.254828 (E_RNA)
where:
Base-Base interactions energy: -1606.041
where: short stacking energy: -685.398
Base-Backbone interact. energy: 1.205
local terms energy: -745.419048
where:
bonds (distance) C4'-P energy: -149.422
bonds (distance) P-C4' energy: -142.084
flat angles C4'-P-C4' energy: -160.581
flat angles P-C4'-P energy: -105.498
tors. eta vs tors. theta energy: -187.834
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: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2123.476626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.476626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.038408 (E_RNA)
where:
Base-Base interactions energy: -1431.357
where: short stacking energy: -603.923
Base-Backbone interact. energy: -3.963
local terms energy: -691.717800
where:
bonds (distance) C4'-P energy: -122.230
bonds (distance) P-C4' energy: -153.130
flat angles C4'-P-C4' energy: -141.397
flat angles P-C4'-P energy: -107.919
tors. eta vs tors. theta energy: -167.042
Dist. restrs. and SS energy: 3.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1982.905577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.905577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.130295 (E_RNA)
where:
Base-Base interactions energy: -1313.877
where: short stacking energy: -544.474
Base-Backbone interact. energy: -1.028
local terms energy: -670.224720
where:
bonds (distance) C4'-P energy: -147.783
bonds (distance) P-C4' energy: -129.440
flat angles C4'-P-C4' energy: -152.344
flat angles P-C4'-P energy: -110.632
tors. eta vs tors. theta energy: -130.025
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: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1936.929883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.929883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.216882 (E_RNA)
where:
Base-Base interactions energy: -1314.622
where: short stacking energy: -532.188
Base-Backbone interact. energy: -0.803
local terms energy: -624.792581
where:
bonds (distance) C4'-P energy: -119.223
bonds (distance) P-C4' energy: -133.023
flat angles C4'-P-C4' energy: -142.340
flat angles P-C4'-P energy: -92.167
tors. eta vs tors. theta energy: -138.039
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: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1801.989660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.989660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.938469 (E_RNA)
where:
Base-Base interactions energy: -1235.906
where: short stacking energy: -504.503
Base-Backbone interact. energy: -2.605
local terms energy: -565.426561
where:
bonds (distance) C4'-P energy: -100.068
bonds (distance) P-C4' energy: -131.911
flat angles C4'-P-C4' energy: -126.426
flat angles P-C4'-P energy: -85.586
tors. eta vs tors. theta energy: -121.436
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2920.278442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.278442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.243704 (E_RNA)
where:
Base-Base interactions energy: -2028.234
where: short stacking energy: -836.786
Base-Backbone interact. energy: -2.846
local terms energy: -890.163279
where:
bonds (distance) C4'-P energy: -160.596
bonds (distance) P-C4' energy: -164.489
flat angles C4'-P-C4' energy: -197.157
flat angles P-C4'-P energy: -116.463
tors. eta vs tors. theta energy: -251.458
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: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2791.022398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.022398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.867727 (E_RNA)
where:
Base-Base interactions energy: -1911.513
where: short stacking energy: -820.738
Base-Backbone interact. energy: -3.411
local terms energy: -877.942779
where:
bonds (distance) C4'-P energy: -155.022
bonds (distance) P-C4' energy: -175.114
flat angles C4'-P-C4' energy: -186.377
flat angles P-C4'-P energy: -123.518
tors. eta vs tors. theta energy: -237.912
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2741.875446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.875446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.728266 (E_RNA)
where:
Base-Base interactions energy: -1909.813
where: short stacking energy: -757.219
Base-Backbone interact. energy: -3.619
local terms energy: -831.295527
where:
bonds (distance) C4'-P energy: -145.187
bonds (distance) P-C4' energy: -156.726
flat angles C4'-P-C4' energy: -190.657
flat angles P-C4'-P energy: -119.658
tors. eta vs tors. theta energy: -219.068
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2553.245821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.245821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.204070 (E_RNA)
where:
Base-Base interactions energy: -1758.661
where: short stacking energy: -744.716
Base-Backbone interact. energy: -0.712
local terms energy: -795.831215
where:
bonds (distance) C4'-P energy: -146.251
bonds (distance) P-C4' energy: -155.917
flat angles C4'-P-C4' energy: -167.492
flat angles P-C4'-P energy: -104.281
tors. eta vs tors. theta energy: -221.890
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2393.077245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.077245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.253857 (E_RNA)
where:
Base-Base interactions energy: -1643.298
where: short stacking energy: -726.491
Base-Backbone interact. energy: 0.058
local terms energy: -752.014034
where:
bonds (distance) C4'-P energy: -137.406
bonds (distance) P-C4' energy: -143.790
flat angles C4'-P-C4' energy: -183.581
flat angles P-C4'-P energy: -82.834
tors. eta vs tors. theta energy: -204.403
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: 480
Temperature: 1.150000
Total energy: -2284.869288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.869288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.926020 (E_RNA)
where:
Base-Base interactions energy: -1551.723
where: short stacking energy: -661.916
Base-Backbone interact. energy: 3.178
local terms energy: -737.380138
where:
bonds (distance) C4'-P energy: -149.998
bonds (distance) P-C4' energy: -161.732
flat angles C4'-P-C4' energy: -147.324
flat angles P-C4'-P energy: -109.947
tors. eta vs tors. theta energy: -168.379
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2112.424677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.424677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.320425 (E_RNA)
where:
Base-Base interactions energy: -1456.487
where: short stacking energy: -612.364
Base-Backbone interact. energy: 5.472
local terms energy: -667.305443
where:
bonds (distance) C4'-P energy: -127.956
bonds (distance) P-C4' energy: -131.826
flat angles C4'-P-C4' energy: -147.902
flat angles P-C4'-P energy: -103.717
tors. eta vs tors. theta energy: -155.905
Dist. restrs. and SS energy: 5.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2039.310487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.310487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.009491 (E_RNA)
where:
Base-Base interactions energy: -1370.959
where: short stacking energy: -587.432
Base-Backbone interact. energy: -0.433
local terms energy: -670.617494
where:
bonds (distance) C4'-P energy: -135.355
bonds (distance) P-C4' energy: -113.390
flat angles C4'-P-C4' energy: -163.187
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -155.432
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1924.702284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.702284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.247922 (E_RNA)
where:
Base-Base interactions energy: -1302.079
where: short stacking energy: -540.101
Base-Backbone interact. energy: -1.429
local terms energy: -624.740068
where:
bonds (distance) C4'-P energy: -124.533
bonds (distance) P-C4' energy: -157.170
flat angles C4'-P-C4' energy: -146.096
flat angles P-C4'-P energy: -72.563
tors. eta vs tors. theta energy: -124.377
Dist. restrs. and SS energy: 3.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1838.346344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.346344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.184285 (E_RNA)
where:
Base-Base interactions energy: -1260.864
where: short stacking energy: -509.688
Base-Backbone interact. energy: -1.225
local terms energy: -578.094896
where:
bonds (distance) C4'-P energy: -113.996
bonds (distance) P-C4' energy: -137.039
flat angles C4'-P-C4' energy: -130.570
flat angles P-C4'-P energy: -85.324
tors. eta vs tors. theta energy: -111.166
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: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2946.845039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.845039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.872142 (E_RNA)
where:
Base-Base interactions energy: -2053.690
where: short stacking energy: -859.365
Base-Backbone interact. energy: -7.108
local terms energy: -888.074344
where:
bonds (distance) C4'-P energy: -161.592
bonds (distance) P-C4' energy: -156.960
flat angles C4'-P-C4' energy: -190.939
flat angles P-C4'-P energy: -132.034
tors. eta vs tors. theta energy: -246.549
Dist. restrs. and SS energy: 2.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2808.307924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.307924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.653102 (E_RNA)
where:
Base-Base interactions energy: -1931.691
where: short stacking energy: -825.874
Base-Backbone interact. energy: -2.719
local terms energy: -875.242762
where:
bonds (distance) C4'-P energy: -152.607
bonds (distance) P-C4' energy: -171.492
flat angles C4'-P-C4' energy: -190.129
flat angles P-C4'-P energy: -115.867
tors. eta vs tors. theta energy: -245.148
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: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2746.845501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.845501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.239060 (E_RNA)
where:
Base-Base interactions energy: -1897.296
where: short stacking energy: -740.050
Base-Backbone interact. energy: -4.034
local terms energy: -847.908549
where:
bonds (distance) C4'-P energy: -149.865
bonds (distance) P-C4' energy: -167.083
flat angles C4'-P-C4' energy: -170.638
flat angles P-C4'-P energy: -128.904
tors. eta vs tors. theta energy: -231.418
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2543.134727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.134727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.255896 (E_RNA)
where:
Base-Base interactions energy: -1749.239
where: short stacking energy: -752.101
Base-Backbone interact. energy: -2.095
local terms energy: -792.922368
where:
bonds (distance) C4'-P energy: -141.790
bonds (distance) P-C4' energy: -152.253
flat angles C4'-P-C4' energy: -160.153
flat angles P-C4'-P energy: -110.248
tors. eta vs tors. theta energy: -228.478
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: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2428.606110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.606110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.776232 (E_RNA)
where:
Base-Base interactions energy: -1659.692
where: short stacking energy: -680.797
Base-Backbone interact. energy: 4.180
local terms energy: -776.264912
where:
bonds (distance) C4'-P energy: -138.861
bonds (distance) P-C4' energy: -163.351
flat angles C4'-P-C4' energy: -167.226
flat angles P-C4'-P energy: -113.528
tors. eta vs tors. theta energy: -193.299
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: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2295.314161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.314161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.636683 (E_RNA)
where:
Base-Base interactions energy: -1553.442
where: short stacking energy: -685.417
Base-Backbone interact. energy: -1.292
local terms energy: -742.902893
where:
bonds (distance) C4'-P energy: -128.232
bonds (distance) P-C4' energy: -149.772
flat angles C4'-P-C4' energy: -167.966
flat angles P-C4'-P energy: -93.101
tors. eta vs tors. theta energy: -203.832
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: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2152.290785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.290785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.878982 (E_RNA)
where:
Base-Base interactions energy: -1451.013
where: short stacking energy: -614.201
Base-Backbone interact. energy: 1.443
local terms energy: -705.309442
where:
bonds (distance) C4'-P energy: -146.851
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -159.100
flat angles P-C4'-P energy: -95.141
tors. eta vs tors. theta energy: -174.584
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: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2041.776850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.776850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.544286 (E_RNA)
where:
Base-Base interactions energy: -1382.469
where: short stacking energy: -571.789
Base-Backbone interact. energy: -2.271
local terms energy: -659.804813
where:
bonds (distance) C4'-P energy: -126.319
bonds (distance) P-C4' energy: -138.806
flat angles C4'-P-C4' energy: -146.691
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -159.109
Dist. restrs. and SS energy: 2.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1911.582068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.582068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.985736 (E_RNA)
where:
Base-Base interactions energy: -1293.177
where: short stacking energy: -555.421
Base-Backbone interact. energy: 2.306
local terms energy: -622.113861
where:
bonds (distance) C4'-P energy: -127.141
bonds (distance) P-C4' energy: -131.087
flat angles C4'-P-C4' energy: -151.089
flat angles P-C4'-P energy: -81.490
tors. eta vs tors. theta energy: -131.306
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: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1839.414329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.414329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.863275 (E_RNA)
where:
Base-Base interactions energy: -1279.363
where: short stacking energy: -486.039
Base-Backbone interact. energy: 0.354
local terms energy: -563.854442
where:
bonds (distance) C4'-P energy: -134.443
bonds (distance) P-C4' energy: -132.956
flat angles C4'-P-C4' energy: -97.654
flat angles P-C4'-P energy: -98.436
tors. eta vs tors. theta energy: -100.365
Dist. restrs. and SS energy: 3.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2974.095353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.095353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.157191 (E_RNA)
where:
Base-Base interactions energy: -2087.280
where: short stacking energy: -864.927
Base-Backbone interact. energy: -1.858
local terms energy: -887.019058
where:
bonds (distance) C4'-P energy: -154.571
bonds (distance) P-C4' energy: -153.250
flat angles C4'-P-C4' energy: -191.156
flat angles P-C4'-P energy: -128.502
tors. eta vs tors. theta energy: -259.541
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: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2795.793042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.793042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.271152 (E_RNA)
where:
Base-Base interactions energy: -1937.339
where: short stacking energy: -807.711
Base-Backbone interact. energy: -3.064
local terms energy: -856.868151
where:
bonds (distance) C4'-P energy: -153.601
bonds (distance) P-C4' energy: -165.422
flat angles C4'-P-C4' energy: -173.350
flat angles P-C4'-P energy: -122.237
tors. eta vs tors. theta energy: -242.259
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2749.384809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.384809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.868597 (E_RNA)
where:
Base-Base interactions energy: -1921.524
where: short stacking energy: -779.124
Base-Backbone interact. energy: -0.366
local terms energy: -830.978639
where:
bonds (distance) C4'-P energy: -165.368
bonds (distance) P-C4' energy: -152.820
flat angles C4'-P-C4' energy: -173.558
flat angles P-C4'-P energy: -112.920
tors. eta vs tors. theta energy: -226.313
Dist. restrs. and SS energy: 3.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2603.257187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.257187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.927606 (E_RNA)
where:
Base-Base interactions energy: -1779.501
where: short stacking energy: -758.539
Base-Backbone interact. energy: -2.905
local terms energy: -822.520909
where:
bonds (distance) C4'-P energy: -144.512
bonds (distance) P-C4' energy: -146.581
flat angles C4'-P-C4' energy: -177.672
flat angles P-C4'-P energy: -127.627
tors. eta vs tors. theta energy: -226.128
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2424.339884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.339884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.107349 (E_RNA)
where:
Base-Base interactions energy: -1670.468
where: short stacking energy: -677.344
Base-Backbone interact. energy: -3.692
local terms energy: -751.946911
where:
bonds (distance) C4'-P energy: -139.891
bonds (distance) P-C4' energy: -145.325
flat angles C4'-P-C4' energy: -169.328
flat angles P-C4'-P energy: -103.620
tors. eta vs tors. theta energy: -193.783
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: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2234.166401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.166401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.845162 (E_RNA)
where:
Base-Base interactions energy: -1529.992
where: short stacking energy: -667.894
Base-Backbone interact. energy: -3.735
local terms energy: -703.118744
where:
bonds (distance) C4'-P energy: -125.856
bonds (distance) P-C4' energy: -145.055
flat angles C4'-P-C4' energy: -147.739
flat angles P-C4'-P energy: -103.404
tors. eta vs tors. theta energy: -181.065
Dist. restrs. and SS energy: 2.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2104.589833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.589833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.983319 (E_RNA)
where:
Base-Base interactions energy: -1398.664
where: short stacking energy: -596.182
Base-Backbone interact. energy: -1.538
local terms energy: -707.780938
where:
bonds (distance) C4'-P energy: -152.763
bonds (distance) P-C4' energy: -137.455
flat angles C4'-P-C4' energy: -162.599
flat angles P-C4'-P energy: -92.222
tors. eta vs tors. theta energy: -162.743
Dist. restrs. and SS energy: 3.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2074.138387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.138387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.036854 (E_RNA)
where:
Base-Base interactions energy: -1410.184
where: short stacking energy: -587.645
Base-Backbone interact. energy: 3.411
local terms energy: -671.263747
where:
bonds (distance) C4'-P energy: -133.424
bonds (distance) P-C4' energy: -156.774
flat angles C4'-P-C4' energy: -146.094
flat angles P-C4'-P energy: -86.582
tors. eta vs tors. theta energy: -148.390
Dist. restrs. and SS energy: 3.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1936.638187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.638187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.770023 (E_RNA)
where:
Base-Base interactions energy: -1319.393
where: short stacking energy: -561.321
Base-Backbone interact. energy: 0.456
local terms energy: -621.832619
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -142.347
flat angles C4'-P-C4' energy: -125.494
flat angles P-C4'-P energy: -100.778
tors. eta vs tors. theta energy: -153.077
Dist. restrs. and SS energy: 4.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1848.294045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.294045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.448487 (E_RNA)
where:
Base-Base interactions energy: -1232.956
where: short stacking energy: -507.525
Base-Backbone interact. energy: 3.031
local terms energy: -625.523417
where:
bonds (distance) C4'-P energy: -124.143
bonds (distance) P-C4' energy: -118.320
flat angles C4'-P-C4' energy: -144.305
flat angles P-C4'-P energy: -104.366
tors. eta vs tors. theta energy: -134.391
Dist. restrs. and SS energy: 7.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2955.191467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.191467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.226859 (E_RNA)
where:
Base-Base interactions energy: -2055.076
where: short stacking energy: -825.467
Base-Backbone interact. energy: -3.341
local terms energy: -898.809241
where:
bonds (distance) C4'-P energy: -165.734
bonds (distance) P-C4' energy: -159.691
flat angles C4'-P-C4' energy: -189.670
flat angles P-C4'-P energy: -128.211
tors. eta vs tors. theta energy: -255.503
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: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2817.182267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.182267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.381246 (E_RNA)
where:
Base-Base interactions energy: -1967.567
where: short stacking energy: -814.416
Base-Backbone interact. energy: -0.297
local terms energy: -850.517677
where:
bonds (distance) C4'-P energy: -154.488
bonds (distance) P-C4' energy: -162.909
flat angles C4'-P-C4' energy: -176.334
flat angles P-C4'-P energy: -116.787
tors. eta vs tors. theta energy: -239.999
Dist. restrs. and SS energy: 1.199 (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: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2804.082371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.082371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.693494 (E_RNA)
where:
Base-Base interactions energy: -1957.728
where: short stacking energy: -797.932
Base-Backbone interact. energy: -4.466
local terms energy: -844.500204
where:
bonds (distance) C4'-P energy: -160.774
bonds (distance) P-C4' energy: -148.622
flat angles C4'-P-C4' energy: -185.532
flat angles P-C4'-P energy: -111.220
tors. eta vs tors. theta energy: -238.352
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: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2581.112566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.112566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.375123 (E_RNA)
where:
Base-Base interactions energy: -1788.974
where: short stacking energy: -771.343
Base-Backbone interact. energy: -1.470
local terms energy: -791.930991
where:
bonds (distance) C4'-P energy: -128.449
bonds (distance) P-C4' energy: -149.154
flat angles C4'-P-C4' energy: -181.011
flat angles P-C4'-P energy: -105.941
tors. eta vs tors. theta energy: -227.376
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2419.991846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.991846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.322474 (E_RNA)
where:
Base-Base interactions energy: -1664.679
where: short stacking energy: -713.501
Base-Backbone interact. energy: -2.651
local terms energy: -754.993384
where:
bonds (distance) C4'-P energy: -149.398
bonds (distance) P-C4' energy: -139.008
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -89.812
tors. eta vs tors. theta energy: -206.473
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: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2261.019097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.019097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.718520 (E_RNA)
where:
Base-Base interactions energy: -1544.353
where: short stacking energy: -660.296
Base-Backbone interact. energy: -1.931
local terms energy: -717.435120
where:
bonds (distance) C4'-P energy: -148.703
bonds (distance) P-C4' energy: -146.491
flat angles C4'-P-C4' energy: -157.590
flat angles P-C4'-P energy: -89.997
tors. eta vs tors. theta energy: -174.653
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: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2164.026065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.026065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.868229 (E_RNA)
where:
Base-Base interactions energy: -1468.930
where: short stacking energy: -678.219
Base-Backbone interact. energy: 1.730
local terms energy: -698.668372
where:
bonds (distance) C4'-P energy: -135.172
bonds (distance) P-C4' energy: -123.001
flat angles C4'-P-C4' energy: -157.497
flat angles P-C4'-P energy: -103.384
tors. eta vs tors. theta energy: -179.613
Dist. restrs. and SS energy: 1.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2046.032340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.032340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.532028 (E_RNA)
where:
Base-Base interactions energy: -1370.450
where: short stacking energy: -550.465
Base-Backbone interact. energy: -4.721
local terms energy: -673.360688
where:
bonds (distance) C4'-P energy: -131.299
bonds (distance) P-C4' energy: -156.073
flat angles C4'-P-C4' energy: -151.024
flat angles P-C4'-P energy: -91.131
tors. eta vs tors. theta energy: -143.835
Dist. restrs. and SS energy: 2.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1920.899031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.899031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.508931 (E_RNA)
where:
Base-Base interactions energy: -1290.903
where: short stacking energy: -533.868
Base-Backbone interact. energy: -3.217
local terms energy: -630.389578
where:
bonds (distance) C4'-P energy: -132.719
bonds (distance) P-C4' energy: -135.063
flat angles C4'-P-C4' energy: -142.338
flat angles P-C4'-P energy: -99.581
tors. eta vs tors. theta energy: -120.689
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: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1900.469191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.469191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.043026 (E_RNA)
where:
Base-Base interactions energy: -1314.853
where: short stacking energy: -531.178
Base-Backbone interact. energy: 0.877
local terms energy: -589.066493
where:
bonds (distance) C4'-P energy: -106.781
bonds (distance) P-C4' energy: -132.851
flat angles C4'-P-C4' energy: -135.925
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -136.300
Dist. restrs. and SS energy: 2.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2949.184144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.184144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.228575 (E_RNA)
where:
Base-Base interactions energy: -2066.903
where: short stacking energy: -864.673
Base-Backbone interact. energy: 1.554
local terms energy: -886.879175
where:
bonds (distance) C4'-P energy: -171.100
bonds (distance) P-C4' energy: -150.624
flat angles C4'-P-C4' energy: -182.276
flat angles P-C4'-P energy: -123.440
tors. eta vs tors. theta energy: -259.440
Dist. restrs. and SS energy: 3.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2865.932629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.932629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.382334 (E_RNA)
where:
Base-Base interactions energy: -2009.094
where: short stacking energy: -821.518
Base-Backbone interact. energy: -1.763
local terms energy: -856.525383
where:
bonds (distance) C4'-P energy: -157.073
bonds (distance) P-C4' energy: -157.866
flat angles C4'-P-C4' energy: -181.511
flat angles P-C4'-P energy: -128.538
tors. eta vs tors. theta energy: -231.538
Dist. restrs. and SS energy: 1.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2771.918317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.918317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.223248 (E_RNA)
where:
Base-Base interactions energy: -1958.766
where: short stacking energy: -787.315
Base-Backbone interact. energy: -3.090
local terms energy: -812.367951
where:
bonds (distance) C4'-P energy: -147.088
bonds (distance) P-C4' energy: -155.169
flat angles C4'-P-C4' energy: -168.260
flat angles P-C4'-P energy: -108.544
tors. eta vs tors. theta energy: -233.306
Dist. restrs. and SS energy: 2.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2564.669718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.669718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.829302 (E_RNA)
where:
Base-Base interactions energy: -1762.848
where: short stacking energy: -755.988
Base-Backbone interact. energy: 1.376
local terms energy: -804.357155
where:
bonds (distance) C4'-P energy: -131.356
bonds (distance) P-C4' energy: -152.976
flat angles C4'-P-C4' energy: -177.385
flat angles P-C4'-P energy: -115.075
tors. eta vs tors. theta energy: -227.566
Dist. restrs. and SS energy: 1.160 (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: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2392.627067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.627067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.762573 (E_RNA)
where:
Base-Base interactions energy: -1642.219
where: short stacking energy: -724.387
Base-Backbone interact. energy: 2.423
local terms energy: -754.966397
where:
bonds (distance) C4'-P energy: -147.368
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -170.462
flat angles P-C4'-P energy: -106.280
tors. eta vs tors. theta energy: -196.438
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: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2291.521477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.521477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.533230 (E_RNA)
where:
Base-Base interactions energy: -1538.784
where: short stacking energy: -653.014
Base-Backbone interact. energy: 6.976
local terms energy: -761.725542
where:
bonds (distance) C4'-P energy: -156.011
bonds (distance) P-C4' energy: -147.038
flat angles C4'-P-C4' energy: -176.060
flat angles P-C4'-P energy: -92.464
tors. eta vs tors. theta energy: -190.153
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: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2097.824032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.824032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.700751 (E_RNA)
where:
Base-Base interactions energy: -1390.722
where: short stacking energy: -611.665
Base-Backbone interact. energy: 0.834
local terms energy: -710.812127
where:
bonds (distance) C4'-P energy: -148.257
bonds (distance) P-C4' energy: -144.294
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -86.388
tors. eta vs tors. theta energy: -171.288
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: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2041.825393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.825393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.130866 (E_RNA)
where:
Base-Base interactions energy: -1428.628
where: short stacking energy: -585.775
Base-Backbone interact. energy: -0.392
local terms energy: -616.111326
where:
bonds (distance) C4'-P energy: -108.942
bonds (distance) P-C4' energy: -122.843
flat angles C4'-P-C4' energy: -155.417
flat angles P-C4'-P energy: -76.735
tors. eta vs tors. theta energy: -152.173
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: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1937.405409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.405409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.577750 (E_RNA)
where:
Base-Base interactions energy: -1338.212
where: short stacking energy: -524.684
Base-Backbone interact. energy: 0.088
local terms energy: -601.454058
where:
bonds (distance) C4'-P energy: -105.570
bonds (distance) P-C4' energy: -133.416
flat angles C4'-P-C4' energy: -136.572
flat angles P-C4'-P energy: -76.987
tors. eta vs tors. theta energy: -148.909
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: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1867.610612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.610612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.655217 (E_RNA)
where:
Base-Base interactions energy: -1284.414
where: short stacking energy: -543.535
Base-Backbone interact. energy: -1.136
local terms energy: -584.105709
where:
bonds (distance) C4'-P energy: -115.572
bonds (distance) P-C4' energy: -126.950
flat angles C4'-P-C4' energy: -136.267
flat angles P-C4'-P energy: -76.764
tors. eta vs tors. theta energy: -128.552
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2977.292486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.292486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.720618 (E_RNA)
where:
Base-Base interactions energy: -2093.873
where: short stacking energy: -858.243
Base-Backbone interact. energy: -1.985
local terms energy: -883.862164
where:
bonds (distance) C4'-P energy: -166.493
bonds (distance) P-C4' energy: -156.492
flat angles C4'-P-C4' energy: -179.338
flat angles P-C4'-P energy: -125.121
tors. eta vs tors. theta energy: -256.418
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2835.861311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.861311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.002961 (E_RNA)
where:
Base-Base interactions energy: -1955.389
where: short stacking energy: -783.802
Base-Backbone interact. energy: -3.630
local terms energy: -878.984106
where:
bonds (distance) C4'-P energy: -160.458
bonds (distance) P-C4' energy: -166.994
flat angles C4'-P-C4' energy: -191.315
flat angles P-C4'-P energy: -131.695
tors. eta vs tors. theta energy: -228.522
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2770.664693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.664693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.039622 (E_RNA)
where:
Base-Base interactions energy: -1945.644
where: short stacking energy: -792.794
Base-Backbone interact. energy: -2.405
local terms energy: -824.991178
where:
bonds (distance) C4'-P energy: -133.117
bonds (distance) P-C4' energy: -161.343
flat angles C4'-P-C4' energy: -176.790
flat angles P-C4'-P energy: -120.109
tors. eta vs tors. theta energy: -233.633
Dist. restrs. and SS energy: 2.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2572.211741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.211741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.451491 (E_RNA)
where:
Base-Base interactions energy: -1747.058
where: short stacking energy: -722.618
Base-Backbone interact. energy: 1.319
local terms energy: -827.712580
where:
bonds (distance) C4'-P energy: -152.445
bonds (distance) P-C4' energy: -163.906
flat angles C4'-P-C4' energy: -181.078
flat angles P-C4'-P energy: -111.513
tors. eta vs tors. theta energy: -218.771
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: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2416.175917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.175917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.267265 (E_RNA)
where:
Base-Base interactions energy: -1642.694
where: short stacking energy: -676.311
Base-Backbone interact. energy: 7.624
local terms energy: -783.197654
where:
bonds (distance) C4'-P energy: -156.184
bonds (distance) P-C4' energy: -149.156
flat angles C4'-P-C4' energy: -172.862
flat angles P-C4'-P energy: -111.234
tors. eta vs tors. theta energy: -193.761
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: 485
Temperature: 1.150000
Total energy: -2270.605346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.605346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.532126 (E_RNA)
where:
Base-Base interactions energy: -1530.217
where: short stacking energy: -634.765
Base-Backbone interact. energy: -0.472
local terms energy: -742.843695
where:
bonds (distance) C4'-P energy: -136.507
bonds (distance) P-C4' energy: -157.061
flat angles C4'-P-C4' energy: -155.385
flat angles P-C4'-P energy: -124.420
tors. eta vs tors. theta energy: -169.472
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: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2125.275317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.275317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.515307 (E_RNA)
where:
Base-Base interactions energy: -1429.541
where: short stacking energy: -627.837
Base-Backbone interact. energy: -5.134
local terms energy: -692.839493
where:
bonds (distance) C4'-P energy: -125.946
bonds (distance) P-C4' energy: -127.411
flat angles C4'-P-C4' energy: -165.630
flat angles P-C4'-P energy: -98.911
tors. eta vs tors. theta energy: -174.942
Dist. restrs. and SS energy: 2.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1992.985950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.985950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.401895 (E_RNA)
where:
Base-Base interactions energy: -1349.099
where: short stacking energy: -557.184
Base-Backbone interact. energy: 3.446
local terms energy: -649.748920
where:
bonds (distance) C4'-P energy: -131.519
bonds (distance) P-C4' energy: -115.176
flat angles C4'-P-C4' energy: -153.426
flat angles P-C4'-P energy: -92.751
tors. eta vs tors. theta energy: -156.877
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: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1931.652239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.652239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.302244 (E_RNA)
where:
Base-Base interactions energy: -1307.509
where: short stacking energy: -575.288
Base-Backbone interact. energy: 1.816
local terms energy: -630.609841
where:
bonds (distance) C4'-P energy: -130.809
bonds (distance) P-C4' energy: -120.667
flat angles C4'-P-C4' energy: -139.304
flat angles P-C4'-P energy: -100.097
tors. eta vs tors. theta energy: -139.734
Dist. restrs. and SS energy: 4.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1900.090624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.090624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.840025 (E_RNA)
where:
Base-Base interactions energy: -1291.375
where: short stacking energy: -539.264
Base-Backbone interact. energy: -0.463
local terms energy: -611.002400
where:
bonds (distance) C4'-P energy: -118.285
bonds (distance) P-C4' energy: -140.378
flat angles C4'-P-C4' energy: -125.617
flat angles P-C4'-P energy: -83.065
tors. eta vs tors. theta energy: -143.658
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2994.105828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.105828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.090285 (E_RNA)
where:
Base-Base interactions energy: -2102.089
where: short stacking energy: -853.232
Base-Backbone interact. energy: -3.774
local terms energy: -890.227457
where:
bonds (distance) C4'-P energy: -163.822
bonds (distance) P-C4' energy: -168.847
flat angles C4'-P-C4' energy: -179.736
flat angles P-C4'-P energy: -120.900
tors. eta vs tors. theta energy: -256.922
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2858.109662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.109662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.255185 (E_RNA)
where:
Base-Base interactions energy: -1993.949
where: short stacking energy: -816.361
Base-Backbone interact. energy: 0.085
local terms energy: -867.391136
where:
bonds (distance) C4'-P energy: -170.144
bonds (distance) P-C4' energy: -147.466
flat angles C4'-P-C4' energy: -186.688
flat angles P-C4'-P energy: -121.315
tors. eta vs tors. theta energy: -241.778
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: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2752.670613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.670613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.731658 (E_RNA)
where:
Base-Base interactions energy: -1939.077
where: short stacking energy: -793.011
Base-Backbone interact. energy: 1.368
local terms energy: -818.023484
where:
bonds (distance) C4'-P energy: -158.660
bonds (distance) P-C4' energy: -146.924
flat angles C4'-P-C4' energy: -176.773
flat angles P-C4'-P energy: -103.256
tors. eta vs tors. theta energy: -232.410
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: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2604.115820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.115820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.582306 (E_RNA)
where:
Base-Base interactions energy: -1785.351
where: short stacking energy: -736.615
Base-Backbone interact. energy: -2.512
local terms energy: -817.719233
where:
bonds (distance) C4'-P energy: -139.328
bonds (distance) P-C4' energy: -166.110
flat angles C4'-P-C4' energy: -172.708
flat angles P-C4'-P energy: -116.289
tors. eta vs tors. theta energy: -223.285
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: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2467.940248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.940248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.326397 (E_RNA)
where:
Base-Base interactions energy: -1714.555
where: short stacking energy: -734.089
Base-Backbone interact. energy: -1.140
local terms energy: -753.631545
where:
bonds (distance) C4'-P energy: -130.708
bonds (distance) P-C4' energy: -159.110
flat angles C4'-P-C4' energy: -167.815
flat angles P-C4'-P energy: -99.498
tors. eta vs tors. theta energy: -196.500
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: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2296.182222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.182222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.943343 (E_RNA)
where:
Base-Base interactions energy: -1569.941
where: short stacking energy: -666.677
Base-Backbone interact. energy: -2.573
local terms energy: -725.429425
where:
bonds (distance) C4'-P energy: -141.528
bonds (distance) P-C4' energy: -154.307
flat angles C4'-P-C4' energy: -149.575
flat angles P-C4'-P energy: -96.890
tors. eta vs tors. theta energy: -183.130
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: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2144.895342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.895342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.613317 (E_RNA)
where:
Base-Base interactions energy: -1450.807
where: short stacking energy: -621.399
Base-Backbone interact. energy: 1.117
local terms energy: -698.922793
where:
bonds (distance) C4'-P energy: -144.271
bonds (distance) P-C4' energy: -134.635
flat angles C4'-P-C4' energy: -155.147
flat angles P-C4'-P energy: -89.930
tors. eta vs tors. theta energy: -174.939
Dist. restrs. and SS energy: 3.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2060.020078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.020078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.262504 (E_RNA)
where:
Base-Base interactions energy: -1427.709
where: short stacking energy: -608.726
Base-Backbone interact. energy: -2.520
local terms energy: -633.033438
where:
bonds (distance) C4'-P energy: -118.250
bonds (distance) P-C4' energy: -127.833
flat angles C4'-P-C4' energy: -148.329
flat angles P-C4'-P energy: -86.583
tors. eta vs tors. theta energy: -152.039
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: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1967.503334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.503334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.827380 (E_RNA)
where:
Base-Base interactions energy: -1358.378
where: short stacking energy: -548.128
Base-Backbone interact. energy: -0.607
local terms energy: -609.842027
where:
bonds (distance) C4'-P energy: -126.983
bonds (distance) P-C4' energy: -129.138
flat angles C4'-P-C4' energy: -137.667
flat angles P-C4'-P energy: -85.640
tors. eta vs tors. theta energy: -130.413
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: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1843.017423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.017423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.983067 (E_RNA)
where:
Base-Base interactions energy: -1214.260
where: short stacking energy: -495.551
Base-Backbone interact. energy: 2.529
local terms energy: -637.252434
where:
bonds (distance) C4'-P energy: -135.979
bonds (distance) P-C4' energy: -126.664
flat angles C4'-P-C4' energy: -145.819
flat angles P-C4'-P energy: -104.384
tors. eta vs tors. theta energy: -124.406
Dist. restrs. and SS energy: 5.966 (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: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2962.377814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.377814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.584939 (E_RNA)
where:
Base-Base interactions energy: -2087.312
where: short stacking energy: -844.722
Base-Backbone interact. energy: -2.881
local terms energy: -875.391164
where:
bonds (distance) C4'-P energy: -153.950
bonds (distance) P-C4' energy: -162.054
flat angles C4'-P-C4' energy: -195.637
flat angles P-C4'-P energy: -123.470
tors. eta vs tors. theta energy: -240.279
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: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2850.830118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.830118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.558836 (E_RNA)
where:
Base-Base interactions energy: -1969.812
where: short stacking energy: -828.026
Base-Backbone interact. energy: -1.038
local terms energy: -884.708999
where:
bonds (distance) C4'-P energy: -158.534
bonds (distance) P-C4' energy: -153.105
flat angles C4'-P-C4' energy: -190.390
flat angles P-C4'-P energy: -128.474
tors. eta vs tors. theta energy: -254.205
Dist. restrs. and SS energy: 4.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2716.523882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.523882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.320445 (E_RNA)
where:
Base-Base interactions energy: -1885.530
where: short stacking energy: -771.474
Base-Backbone interact. energy: -3.624
local terms energy: -830.166376
where:
bonds (distance) C4'-P energy: -134.337
bonds (distance) P-C4' energy: -162.379
flat angles C4'-P-C4' energy: -183.403
flat angles P-C4'-P energy: -124.527
tors. eta vs tors. theta energy: -225.521
Dist. restrs. and SS energy: 2.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2581.477236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.477236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.433762 (E_RNA)
where:
Base-Base interactions energy: -1802.529
where: short stacking energy: -758.439
Base-Backbone interact. energy: 1.639
local terms energy: -782.544576
where:
bonds (distance) C4'-P energy: -143.167
bonds (distance) P-C4' energy: -131.695
flat angles C4'-P-C4' energy: -176.782
flat angles P-C4'-P energy: -122.912
tors. eta vs tors. theta energy: -207.989
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2519.266135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.266135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.228434 (E_RNA)
where:
Base-Base interactions energy: -1715.644
where: short stacking energy: -698.900
Base-Backbone interact. energy: 0.269
local terms energy: -805.853427
where:
bonds (distance) C4'-P energy: -149.520
bonds (distance) P-C4' energy: -159.885
flat angles C4'-P-C4' energy: -160.599
flat angles P-C4'-P energy: -134.209
tors. eta vs tors. theta energy: -201.639
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: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2288.239699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.239699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.108060 (E_RNA)
where:
Base-Base interactions energy: -1563.536
where: short stacking energy: -672.634
Base-Backbone interact. energy: -1.298
local terms energy: -726.274351
where:
bonds (distance) C4'-P energy: -148.946
bonds (distance) P-C4' energy: -141.870
flat angles C4'-P-C4' energy: -144.398
flat angles P-C4'-P energy: -97.045
tors. eta vs tors. theta energy: -194.016
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2125.193906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.193906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.318539 (E_RNA)
where:
Base-Base interactions energy: -1453.922
where: short stacking energy: -637.556
Base-Backbone interact. energy: 5.445
local terms energy: -677.841224
where:
bonds (distance) C4'-P energy: -119.487
bonds (distance) P-C4' energy: -135.346
flat angles C4'-P-C4' energy: -149.790
flat angles P-C4'-P energy: -105.191
tors. eta vs tors. theta energy: -168.027
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: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2085.623920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.623920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.945895 (E_RNA)
where:
Base-Base interactions energy: -1390.643
where: short stacking energy: -590.368
Base-Backbone interact. energy: -0.426
local terms energy: -696.876405
where:
bonds (distance) C4'-P energy: -136.956
bonds (distance) P-C4' energy: -159.978
flat angles C4'-P-C4' energy: -147.426
flat angles P-C4'-P energy: -99.351
tors. eta vs tors. theta energy: -153.165
Dist. restrs. and SS energy: 2.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1980.797383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.797383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.629921 (E_RNA)
where:
Base-Base interactions energy: -1343.194
where: short stacking energy: -556.680
Base-Backbone interact. energy: -1.228
local terms energy: -639.207901
where:
bonds (distance) C4'-P energy: -120.883
bonds (distance) P-C4' energy: -138.785
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -83.591
tors. eta vs tors. theta energy: -144.241
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: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1851.222140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.222140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.488579 (E_RNA)
where:
Base-Base interactions energy: -1255.102
where: short stacking energy: -518.461
Base-Backbone interact. energy: 3.353
local terms energy: -605.739398
where:
bonds (distance) C4'-P energy: -125.616
bonds (distance) P-C4' energy: -127.501
flat angles C4'-P-C4' energy: -120.252
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -158.360
Dist. restrs. and SS energy: 6.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2946.784601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.784601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.420335 (E_RNA)
where:
Base-Base interactions energy: -2062.125
where: short stacking energy: -831.457
Base-Backbone interact. energy: -4.359
local terms energy: -882.936013
where:
bonds (distance) C4'-P energy: -158.631
bonds (distance) P-C4' energy: -163.263
flat angles C4'-P-C4' energy: -193.222
flat angles P-C4'-P energy: -121.653
tors. eta vs tors. theta energy: -246.168
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2846.899297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.899297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.963373 (E_RNA)
where:
Base-Base interactions energy: -1976.778
where: short stacking energy: -810.537
Base-Backbone interact. energy: -2.406
local terms energy: -870.779055
where:
bonds (distance) C4'-P energy: -174.441
bonds (distance) P-C4' energy: -147.188
flat angles C4'-P-C4' energy: -181.311
flat angles P-C4'-P energy: -130.851
tors. eta vs tors. theta energy: -236.988
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2656.949769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.949769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.404212 (E_RNA)
where:
Base-Base interactions energy: -1850.224
where: short stacking energy: -751.688
Base-Backbone interact. energy: -2.813
local terms energy: -807.367567
where:
bonds (distance) C4'-P energy: -138.706
bonds (distance) P-C4' energy: -148.308
flat angles C4'-P-C4' energy: -175.163
flat angles P-C4'-P energy: -124.397
tors. eta vs tors. theta energy: -220.793
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2579.302717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.302717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.551341 (E_RNA)
where:
Base-Base interactions energy: -1754.834
where: short stacking energy: -733.769
Base-Backbone interact. energy: -2.283
local terms energy: -824.434928
where:
bonds (distance) C4'-P energy: -161.928
bonds (distance) P-C4' energy: -158.813
flat angles C4'-P-C4' energy: -179.553
flat angles P-C4'-P energy: -95.761
tors. eta vs tors. theta energy: -228.380
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2442.982071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.982071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.403381 (E_RNA)
where:
Base-Base interactions energy: -1709.416
where: short stacking energy: -721.040
Base-Backbone interact. energy: 0.987
local terms energy: -736.973851
where:
bonds (distance) C4'-P energy: -129.303
bonds (distance) P-C4' energy: -147.499
flat angles C4'-P-C4' energy: -154.393
flat angles P-C4'-P energy: -112.633
tors. eta vs tors. theta energy: -193.146
Dist. restrs. and SS energy: 2.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2275.358064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.358064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.352288 (E_RNA)
where:
Base-Base interactions energy: -1569.012
where: short stacking energy: -662.252
Base-Backbone interact. energy: -2.177
local terms energy: -706.163027
where:
bonds (distance) C4'-P energy: -133.421
bonds (distance) P-C4' energy: -128.359
flat angles C4'-P-C4' energy: -159.595
flat angles P-C4'-P energy: -100.987
tors. eta vs tors. theta energy: -183.800
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: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2140.198394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.198394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.486099 (E_RNA)
where:
Base-Base interactions energy: -1452.018
where: short stacking energy: -596.978
Base-Backbone interact. energy: 0.785
local terms energy: -690.253698
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -130.253
flat angles C4'-P-C4' energy: -158.866
flat angles P-C4'-P energy: -102.164
tors. eta vs tors. theta energy: -165.553
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: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -2004.012267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.012267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.993573 (E_RNA)
where:
Base-Base interactions energy: -1346.249
where: short stacking energy: -577.443
Base-Backbone interact. energy: 0.494
local terms energy: -662.238152
where:
bonds (distance) C4'-P energy: -127.617
bonds (distance) P-C4' energy: -149.990
flat angles C4'-P-C4' energy: -148.555
flat angles P-C4'-P energy: -68.451
tors. eta vs tors. theta energy: -167.625
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1912.823684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.823684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.541421 (E_RNA)
where:
Base-Base interactions energy: -1316.555
where: short stacking energy: -553.749
Base-Backbone interact. energy: 14.219
local terms energy: -620.205133
where:
bonds (distance) C4'-P energy: -130.755
bonds (distance) P-C4' energy: -115.522
flat angles C4'-P-C4' energy: -135.347
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -153.675
Dist. restrs. and SS energy: 9.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -1894.407165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.407165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.300555 (E_RNA)
where:
Base-Base interactions energy: -1286.002
where: short stacking energy: -558.729
Base-Backbone interact. energy: -0.934
local terms energy: -610.364666
where:
bonds (distance) C4'-P energy: -113.238
bonds (distance) P-C4' energy: -126.021
flat angles C4'-P-C4' energy: -137.003
flat angles P-C4'-P energy: -91.107
tors. eta vs tors. theta energy: -142.995
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: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2984.142840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.142840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.800058 (E_RNA)
where:
Base-Base interactions energy: -2107.573
where: short stacking energy: -882.367
Base-Backbone interact. energy: -2.065
local terms energy: -876.161896
where:
bonds (distance) C4'-P energy: -164.025
bonds (distance) P-C4' energy: -161.812
flat angles C4'-P-C4' energy: -182.100
flat angles P-C4'-P energy: -121.411
tors. eta vs tors. theta energy: -246.814
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: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2873.049373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.049373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.366753 (E_RNA)
where:
Base-Base interactions energy: -1981.956
where: short stacking energy: -835.031
Base-Backbone interact. energy: -0.593
local terms energy: -893.817682
where:
bonds (distance) C4'-P energy: -148.967
bonds (distance) P-C4' energy: -165.406
flat angles C4'-P-C4' energy: -193.034
flat angles P-C4'-P energy: -130.528
tors. eta vs tors. theta energy: -255.882
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: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2723.722687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.722687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.493111 (E_RNA)
where:
Base-Base interactions energy: -1931.077
where: short stacking energy: -761.512
Base-Backbone interact. energy: -1.898
local terms energy: -792.517983
where:
bonds (distance) C4'-P energy: -154.234
bonds (distance) P-C4' energy: -156.458
flat angles C4'-P-C4' energy: -163.792
flat angles P-C4'-P energy: -110.942
tors. eta vs tors. theta energy: -207.092
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: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2561.630151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.630151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.894714 (E_RNA)
where:
Base-Base interactions energy: -1727.329
where: short stacking energy: -725.903
Base-Backbone interact. energy: -1.249
local terms energy: -835.316862
where:
bonds (distance) C4'-P energy: -146.895
bonds (distance) P-C4' energy: -166.576
flat angles C4'-P-C4' energy: -173.850
flat angles P-C4'-P energy: -126.031
tors. eta vs tors. theta energy: -221.965
Dist. restrs. and SS energy: 2.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2477.015595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.015595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.326997 (E_RNA)
where:
Base-Base interactions energy: -1715.935
where: short stacking energy: -693.808
Base-Backbone interact. energy: 0.625
local terms energy: -764.016868
where:
bonds (distance) C4'-P energy: -129.014
bonds (distance) P-C4' energy: -154.925
flat angles C4'-P-C4' energy: -178.515
flat angles P-C4'-P energy: -108.755
tors. eta vs tors. theta energy: -192.807
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: 489
Temperature: 1.150000
Total energy: -2292.004559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.004559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.808685 (E_RNA)
where:
Base-Base interactions energy: -1593.637
where: short stacking energy: -674.432
Base-Backbone interact. energy: 1.378
local terms energy: -701.549584
where:
bonds (distance) C4'-P energy: -137.611
bonds (distance) P-C4' energy: -149.541
flat angles C4'-P-C4' energy: -137.634
flat angles P-C4'-P energy: -98.963
tors. eta vs tors. theta energy: -177.801
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: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2103.485334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.485334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.509351 (E_RNA)
where:
Base-Base interactions energy: -1426.231
where: short stacking energy: -615.460
Base-Backbone interact. energy: -1.881
local terms energy: -677.397653
where:
bonds (distance) C4'-P energy: -118.080
bonds (distance) P-C4' energy: -149.877
flat angles C4'-P-C4' energy: -148.341
flat angles P-C4'-P energy: -100.437
tors. eta vs tors. theta energy: -160.663
Dist. restrs. and SS energy: 2.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1977.430276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.430276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.473700 (E_RNA)
where:
Base-Base interactions energy: -1347.710
where: short stacking energy: -580.027
Base-Backbone interact. energy: 1.761
local terms energy: -636.524215
where:
bonds (distance) C4'-P energy: -120.870
bonds (distance) P-C4' energy: -140.555
flat angles C4'-P-C4' energy: -148.735
flat angles P-C4'-P energy: -70.424
tors. eta vs tors. theta energy: -155.939
Dist. restrs. and SS energy: 5.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1901.175232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.175232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.120463 (E_RNA)
where:
Base-Base interactions energy: -1280.647
where: short stacking energy: -549.847
Base-Backbone interact. energy: -2.276
local terms energy: -622.198278
where:
bonds (distance) C4'-P energy: -116.644
bonds (distance) P-C4' energy: -135.311
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -90.009
tors. eta vs tors. theta energy: -130.949
Dist. restrs. and SS energy: 3.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -1830.655001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.655001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.222909 (E_RNA)
where:
Base-Base interactions energy: -1240.433
where: short stacking energy: -493.734
Base-Backbone interact. energy: -5.516
local terms energy: -587.274033
where:
bonds (distance) C4'-P energy: -95.111
bonds (distance) P-C4' energy: -149.046
flat angles C4'-P-C4' energy: -132.374
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -124.657
Dist. restrs. and SS energy: 2.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2972.312625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2972.312625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2974.548053 (E_RNA)
where:
Base-Base interactions energy: -2076.295
where: short stacking energy: -856.643
Base-Backbone interact. energy: -3.233
local terms energy: -895.019593
where:
bonds (distance) C4'-P energy: -160.952
bonds (distance) P-C4' energy: -161.137
flat angles C4'-P-C4' energy: -187.141
flat angles P-C4'-P energy: -143.671
tors. eta vs tors. theta energy: -242.118
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2843.945700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.945700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.128243 (E_RNA)
where:
Base-Base interactions energy: -1979.070
where: short stacking energy: -863.509
Base-Backbone interact. energy: -0.839
local terms energy: -866.219583
where:
bonds (distance) C4'-P energy: -145.232
bonds (distance) P-C4' energy: -146.622
flat angles C4'-P-C4' energy: -188.718
flat angles P-C4'-P energy: -134.565
tors. eta vs tors. theta energy: -251.083
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: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2743.834534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.834534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.242280 (E_RNA)
where:
Base-Base interactions energy: -1900.059
where: short stacking energy: -786.102
Base-Backbone interact. energy: -3.915
local terms energy: -842.267299
where:
bonds (distance) C4'-P energy: -147.949
bonds (distance) P-C4' energy: -160.500
flat angles C4'-P-C4' energy: -181.541
flat angles P-C4'-P energy: -120.366
tors. eta vs tors. theta energy: -231.912
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: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2587.569914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.569914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.844885 (E_RNA)
where:
Base-Base interactions energy: -1800.307
where: short stacking energy: -768.595
Base-Backbone interact. energy: -2.889
local terms energy: -786.649734
where:
bonds (distance) C4'-P energy: -122.075
bonds (distance) P-C4' energy: -155.989
flat angles C4'-P-C4' energy: -163.856
flat angles P-C4'-P energy: -117.233
tors. eta vs tors. theta energy: -227.497
Dist. restrs. and SS energy: 2.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2454.595564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.595564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.007824 (E_RNA)
where:
Base-Base interactions energy: -1696.145
where: short stacking energy: -708.786
Base-Backbone interact. energy: 2.724
local terms energy: -763.587131
where:
bonds (distance) C4'-P energy: -146.465
bonds (distance) P-C4' energy: -145.439
flat angles C4'-P-C4' energy: -171.695
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -190.088
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: 490
Temperature: 1.150000
Total energy: -2263.603019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.603019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.070701 (E_RNA)
where:
Base-Base interactions energy: -1559.953
where: short stacking energy: -650.476
Base-Backbone interact. energy: -2.755
local terms energy: -703.362314
where:
bonds (distance) C4'-P energy: -141.703
bonds (distance) P-C4' energy: -132.811
flat angles C4'-P-C4' energy: -154.592
flat angles P-C4'-P energy: -106.661
tors. eta vs tors. theta energy: -167.595
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2110.921328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.921328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.074915 (E_RNA)
where:
Base-Base interactions energy: -1419.042
where: short stacking energy: -613.204
Base-Backbone interact. energy: -7.300
local terms energy: -687.733001
where:
bonds (distance) C4'-P energy: -127.704
bonds (distance) P-C4' energy: -135.891
flat angles C4'-P-C4' energy: -153.247
flat angles P-C4'-P energy: -94.472
tors. eta vs tors. theta energy: -176.419
Dist. restrs. and SS energy: 3.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1999.189259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.189259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.167606 (E_RNA)
where:
Base-Base interactions energy: -1339.990
where: short stacking energy: -586.676
Base-Backbone interact. energy: -2.533
local terms energy: -661.644548
where:
bonds (distance) C4'-P energy: -147.836
bonds (distance) P-C4' energy: -122.550
flat angles C4'-P-C4' energy: -154.564
flat angles P-C4'-P energy: -85.211
tors. eta vs tors. theta energy: -151.483
Dist. restrs. and SS energy: 4.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1887.418543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.418543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.857509 (E_RNA)
where:
Base-Base interactions energy: -1279.692
where: short stacking energy: -527.491
Base-Backbone interact. energy: 10.934
local terms energy: -621.099589
where:
bonds (distance) C4'-P energy: -129.600
bonds (distance) P-C4' energy: -126.835
flat angles C4'-P-C4' energy: -124.056
flat angles P-C4'-P energy: -104.770
tors. eta vs tors. theta energy: -135.838
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: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1872.754155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.754155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.524923 (E_RNA)
where:
Base-Base interactions energy: -1286.114
where: short stacking energy: -515.022
Base-Backbone interact. energy: 4.385
local terms energy: -593.796019
where:
bonds (distance) C4'-P energy: -130.738
bonds (distance) P-C4' energy: -113.061
flat angles C4'-P-C4' energy: -131.383
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -129.880
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2963.085015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.085015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.597509 (E_RNA)
where:
Base-Base interactions energy: -2083.355
where: short stacking energy: -892.566
Base-Backbone interact. energy: -4.244
local terms energy: -877.998317
where:
bonds (distance) C4'-P energy: -170.738
bonds (distance) P-C4' energy: -157.897
flat angles C4'-P-C4' energy: -182.801
flat angles P-C4'-P energy: -115.367
tors. eta vs tors. theta energy: -251.195
Dist. restrs. and SS energy: 2.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2871.040042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.040042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.968514 (E_RNA)
where:
Base-Base interactions energy: -2017.885
where: short stacking energy: -825.446
Base-Backbone interact. energy: -1.415
local terms energy: -854.668133
where:
bonds (distance) C4'-P energy: -140.283
bonds (distance) P-C4' energy: -160.804
flat angles C4'-P-C4' energy: -175.617
flat angles P-C4'-P energy: -127.913
tors. eta vs tors. theta energy: -250.051
Dist. restrs. and SS energy: 2.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2732.362893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.362893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.467857 (E_RNA)
where:
Base-Base interactions energy: -1909.048
where: short stacking energy: -773.462
Base-Backbone interact. energy: -4.879
local terms energy: -820.540311
where:
bonds (distance) C4'-P energy: -159.241
bonds (distance) P-C4' energy: -140.575
flat angles C4'-P-C4' energy: -186.570
flat angles P-C4'-P energy: -104.638
tors. eta vs tors. theta energy: -229.516
Dist. restrs. and SS energy: 2.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2613.742317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.742317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.418487 (E_RNA)
where:
Base-Base interactions energy: -1786.351
where: short stacking energy: -719.163
Base-Backbone interact. energy: -1.704
local terms energy: -827.362571
where:
bonds (distance) C4'-P energy: -165.261
bonds (distance) P-C4' energy: -165.550
flat angles C4'-P-C4' energy: -172.760
flat angles P-C4'-P energy: -107.199
tors. eta vs tors. theta energy: -216.593
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: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2464.840601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.840601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.733848 (E_RNA)
where:
Base-Base interactions energy: -1683.025
where: short stacking energy: -696.511
Base-Backbone interact. energy: 4.590
local terms energy: -789.298049
where:
bonds (distance) C4'-P energy: -142.559
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -178.553
flat angles P-C4'-P energy: -110.879
tors. eta vs tors. theta energy: -204.685
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: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2278.231772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.231772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.769426 (E_RNA)
where:
Base-Base interactions energy: -1561.600
where: short stacking energy: -669.935
Base-Backbone interact. energy: 0.491
local terms energy: -720.660781
where:
bonds (distance) C4'-P energy: -106.116
bonds (distance) P-C4' energy: -146.767
flat angles C4'-P-C4' energy: -160.459
flat angles P-C4'-P energy: -113.267
tors. eta vs tors. theta energy: -194.051
Dist. restrs. and SS energy: 3.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2102.827285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.827285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.366406 (E_RNA)
where:
Base-Base interactions energy: -1433.175
where: short stacking energy: -624.270
Base-Backbone interact. energy: -0.437
local terms energy: -670.754299
where:
bonds (distance) C4'-P energy: -131.517
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -139.360
flat angles P-C4'-P energy: -109.667
tors. eta vs tors. theta energy: -157.488
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: 8, replica: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1992.145030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.145030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.867319 (E_RNA)
where:
Base-Base interactions energy: -1309.684
where: short stacking energy: -560.915
Base-Backbone interact. energy: -4.866
local terms energy: -679.316825
where:
bonds (distance) C4'-P energy: -140.361
bonds (distance) P-C4' energy: -138.753
flat angles C4'-P-C4' energy: -148.624
flat angles P-C4'-P energy: -111.946
tors. eta vs tors. theta energy: -139.633
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1894.591079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.591079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.600287 (E_RNA)
where:
Base-Base interactions energy: -1294.489
where: short stacking energy: -530.560
Base-Backbone interact. energy: -1.579
local terms energy: -601.532977
where:
bonds (distance) C4'-P energy: -116.629
bonds (distance) P-C4' energy: -118.434
flat angles C4'-P-C4' energy: -137.577
flat angles P-C4'-P energy: -100.716
tors. eta vs tors. theta energy: -128.177
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: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1854.915065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.915065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.137293 (E_RNA)
where:
Base-Base interactions energy: -1270.918
where: short stacking energy: -521.853
Base-Backbone interact. energy: 8.542
local terms energy: -595.761867
where:
bonds (distance) C4'-P energy: -125.484
bonds (distance) P-C4' energy: -125.455
flat angles C4'-P-C4' energy: -136.258
flat angles P-C4'-P energy: -90.453
tors. eta vs tors. theta energy: -118.112
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2978.818951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.818951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.522758 (E_RNA)
where:
Base-Base interactions energy: -2087.858
where: short stacking energy: -852.294
Base-Backbone interact. energy: -0.793
local terms energy: -891.872214
where:
bonds (distance) C4'-P energy: -158.336
bonds (distance) P-C4' energy: -162.384
flat angles C4'-P-C4' energy: -186.513
flat angles P-C4'-P energy: -142.027
tors. eta vs tors. theta energy: -242.612
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: 2, replica: 1
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2837.969107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.969107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.864055 (E_RNA)
where:
Base-Base interactions energy: -1970.350
where: short stacking energy: -812.402
Base-Backbone interact. energy: -4.810
local terms energy: -865.703621
where:
bonds (distance) C4'-P energy: -152.820
bonds (distance) P-C4' energy: -146.496
flat angles C4'-P-C4' energy: -196.252
flat angles P-C4'-P energy: -127.168
tors. eta vs tors. theta energy: -242.968
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2649.517740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.517740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.572655 (E_RNA)
where:
Base-Base interactions energy: -1834.356
where: short stacking energy: -766.046
Base-Backbone interact. energy: -0.086
local terms energy: -817.131148
where:
bonds (distance) C4'-P energy: -150.701
bonds (distance) P-C4' energy: -145.935
flat angles C4'-P-C4' energy: -165.540
flat angles P-C4'-P energy: -125.075
tors. eta vs tors. theta energy: -229.880
Dist. restrs. and SS energy: 2.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2661.286241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.286241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.847650 (E_RNA)
where:
Base-Base interactions energy: -1852.840
where: short stacking energy: -747.152
Base-Backbone interact. energy: -2.822
local terms energy: -807.186051
where:
bonds (distance) C4'-P energy: -145.752
bonds (distance) P-C4' energy: -147.949
flat angles C4'-P-C4' energy: -175.620
flat angles P-C4'-P energy: -117.233
tors. eta vs tors. theta energy: -220.632
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2458.486237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.486237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.431141 (E_RNA)
where:
Base-Base interactions energy: -1733.594
where: short stacking energy: -713.247
Base-Backbone interact. energy: 0.944
local terms energy: -728.781603
where:
bonds (distance) C4'-P energy: -136.730
bonds (distance) P-C4' energy: -127.833
flat angles C4'-P-C4' energy: -168.616
flat angles P-C4'-P energy: -98.826
tors. eta vs tors. theta energy: -196.777
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: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2304.773796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.773796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.532460 (E_RNA)
where:
Base-Base interactions energy: -1585.420
where: short stacking energy: -697.786
Base-Backbone interact. energy: -3.378
local terms energy: -718.734608
where:
bonds (distance) C4'-P energy: -126.571
bonds (distance) P-C4' energy: -125.462
flat angles C4'-P-C4' energy: -158.176
flat angles P-C4'-P energy: -122.177
tors. eta vs tors. theta energy: -186.349
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: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2069.173780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.173780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.171478 (E_RNA)
where:
Base-Base interactions energy: -1395.286
where: short stacking energy: -585.901
Base-Backbone interact. energy: -2.542
local terms energy: -675.343374
where:
bonds (distance) C4'-P energy: -138.137
bonds (distance) P-C4' energy: -141.471
flat angles C4'-P-C4' energy: -160.569
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -158.733
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: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2052.275330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.275330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.193025 (E_RNA)
where:
Base-Base interactions energy: -1381.464
where: short stacking energy: -594.675
Base-Backbone interact. energy: -0.524
local terms energy: -673.205093
where:
bonds (distance) C4'-P energy: -133.296
bonds (distance) P-C4' energy: -133.607
flat angles C4'-P-C4' energy: -153.023
flat angles P-C4'-P energy: -79.399
tors. eta vs tors. theta energy: -173.880
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: 9, replica: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1889.987793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.987793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.840507 (E_RNA)
where:
Base-Base interactions energy: -1283.189
where: short stacking energy: -548.400
Base-Backbone interact. energy: -3.506
local terms energy: -606.145663
where:
bonds (distance) C4'-P energy: -116.545
bonds (distance) P-C4' energy: -131.346
flat angles C4'-P-C4' energy: -133.451
flat angles P-C4'-P energy: -84.349
tors. eta vs tors. theta energy: -140.454
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: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1831.327049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.327049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.322437 (E_RNA)
where:
Base-Base interactions energy: -1259.093
where: short stacking energy: -518.122
Base-Backbone interact. energy: -3.220
local terms energy: -576.009674
where:
bonds (distance) C4'-P energy: -121.749
bonds (distance) P-C4' energy: -123.162
flat angles C4'-P-C4' energy: -136.192
flat angles P-C4'-P energy: -72.440
tors. eta vs tors. theta energy: -122.467
Dist. restrs. and SS energy: 6.995 (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: 493
Temperature: 0.900000
Total energy: -2960.518287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.518287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.016886 (E_RNA)
where:
Base-Base interactions energy: -2082.799
where: short stacking energy: -842.527
Base-Backbone interact. energy: -3.163
local terms energy: -877.055407
where:
bonds (distance) C4'-P energy: -160.186
bonds (distance) P-C4' energy: -167.383
flat angles C4'-P-C4' energy: -184.089
flat angles P-C4'-P energy: -126.952
tors. eta vs tors. theta energy: -238.446
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: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2863.494274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.494274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.822921 (E_RNA)
where:
Base-Base interactions energy: -2005.558
where: short stacking energy: -825.749
Base-Backbone interact. energy: -2.435
local terms energy: -856.830072
where:
bonds (distance) C4'-P energy: -160.486
bonds (distance) P-C4' energy: -146.342
flat angles C4'-P-C4' energy: -177.888
flat angles P-C4'-P energy: -115.917
tors. eta vs tors. theta energy: -256.197
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: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2663.211383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.211383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.438480 (E_RNA)
where:
Base-Base interactions energy: -1808.883
where: short stacking energy: -783.370
Base-Backbone interact. energy: -2.261
local terms energy: -854.294062
where:
bonds (distance) C4'-P energy: -147.296
bonds (distance) P-C4' energy: -159.886
flat angles C4'-P-C4' energy: -190.738
flat angles P-C4'-P energy: -133.211
tors. eta vs tors. theta energy: -223.163
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2611.038346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.038346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.888331 (E_RNA)
where:
Base-Base interactions energy: -1833.728
where: short stacking energy: -745.637
Base-Backbone interact. energy: -0.554
local terms energy: -778.605972
where:
bonds (distance) C4'-P energy: -139.948
bonds (distance) P-C4' energy: -149.833
flat angles C4'-P-C4' energy: -166.648
flat angles P-C4'-P energy: -103.645
tors. eta vs tors. theta energy: -218.530
Dist. restrs. and SS energy: 1.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2526.835949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.835949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.803184 (E_RNA)
where:
Base-Base interactions energy: -1752.346
where: short stacking energy: -734.353
Base-Backbone interact. energy: -4.952
local terms energy: -771.505441
where:
bonds (distance) C4'-P energy: -124.884
bonds (distance) P-C4' energy: -142.504
flat angles C4'-P-C4' energy: -184.638
flat angles P-C4'-P energy: -98.418
tors. eta vs tors. theta energy: -221.062
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: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2274.424145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.424145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.622890 (E_RNA)
where:
Base-Base interactions energy: -1536.929
where: short stacking energy: -670.881
Base-Backbone interact. energy: -2.801
local terms energy: -736.892392
where:
bonds (distance) C4'-P energy: -124.390
bonds (distance) P-C4' energy: -134.400
flat angles C4'-P-C4' energy: -158.325
flat angles P-C4'-P energy: -120.555
tors. eta vs tors. theta energy: -199.223
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: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2107.140285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.140285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.773039 (E_RNA)
where:
Base-Base interactions energy: -1435.124
where: short stacking energy: -602.391
Base-Backbone interact. energy: 0.146
local terms energy: -674.795871
where:
bonds (distance) C4'-P energy: -105.883
bonds (distance) P-C4' energy: -142.413
flat angles C4'-P-C4' energy: -159.421
flat angles P-C4'-P energy: -102.134
tors. eta vs tors. theta energy: -164.945
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: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -2030.175588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.175588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.426654 (E_RNA)
where:
Base-Base interactions energy: -1397.875
where: short stacking energy: -574.964
Base-Backbone interact. energy: -3.026
local terms energy: -630.525469
where:
bonds (distance) C4'-P energy: -104.718
bonds (distance) P-C4' energy: -124.653
flat angles C4'-P-C4' energy: -155.550
flat angles P-C4'-P energy: -82.563
tors. eta vs tors. theta energy: -163.041
Dist. restrs. and SS energy: 1.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1879.232920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.232920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.161664 (E_RNA)
where:
Base-Base interactions energy: -1270.517
where: short stacking energy: -509.614
Base-Backbone interact. energy: -3.193
local terms energy: -611.452009
where:
bonds (distance) C4'-P energy: -121.199
bonds (distance) P-C4' energy: -142.545
flat angles C4'-P-C4' energy: -138.294
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -124.988
Dist. restrs. and SS energy: 5.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1821.050135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.050135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.965301 (E_RNA)
where:
Base-Base interactions energy: -1235.482
where: short stacking energy: -539.230
Base-Backbone interact. energy: 0.871
local terms energy: -594.354683
where:
bonds (distance) C4'-P energy: -120.002
bonds (distance) P-C4' energy: -128.086
flat angles C4'-P-C4' energy: -125.903
flat angles P-C4'-P energy: -83.654
tors. eta vs tors. theta energy: -136.710
Dist. restrs. and SS energy: 7.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2982.663658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2982.663658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2985.494467 (E_RNA)
where:
Base-Base interactions energy: -2078.880
where: short stacking energy: -848.336
Base-Backbone interact. energy: -5.342
local terms energy: -901.272420
where:
bonds (distance) C4'-P energy: -183.057
bonds (distance) P-C4' energy: -164.056
flat angles C4'-P-C4' energy: -177.178
flat angles P-C4'-P energy: -116.022
tors. eta vs tors. theta energy: -260.959
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: 2, replica: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2884.446299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.446299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.139588 (E_RNA)
where:
Base-Base interactions energy: -2070.884
where: short stacking energy: -830.152
Base-Backbone interact. energy: -2.056
local terms energy: -813.199001
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -167.729
flat angles P-C4'-P energy: -109.889
tors. eta vs tors. theta energy: -253.560
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: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2721.359251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.359251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.752664 (E_RNA)
where:
Base-Base interactions energy: -1911.637
where: short stacking energy: -799.757
Base-Backbone interact. energy: 2.557
local terms energy: -814.672731
where:
bonds (distance) C4'-P energy: -141.732
bonds (distance) P-C4' energy: -147.740
flat angles C4'-P-C4' energy: -176.823
flat angles P-C4'-P energy: -124.683
tors. eta vs tors. theta energy: -223.695
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: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2616.262640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.262640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.697577 (E_RNA)
where:
Base-Base interactions energy: -1801.022
where: short stacking energy: -770.146
Base-Backbone interact. energy: -3.532
local terms energy: -814.143085
where:
bonds (distance) C4'-P energy: -153.943
bonds (distance) P-C4' energy: -146.992
flat angles C4'-P-C4' energy: -174.831
flat angles P-C4'-P energy: -105.047
tors. eta vs tors. theta energy: -233.331
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2524.359566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.359566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.654795 (E_RNA)
where:
Base-Base interactions energy: -1742.963
where: short stacking energy: -714.604
Base-Backbone interact. energy: 3.151
local terms energy: -787.842510
where:
bonds (distance) C4'-P energy: -147.033
bonds (distance) P-C4' energy: -149.032
flat angles C4'-P-C4' energy: -170.731
flat angles P-C4'-P energy: -109.831
tors. eta vs tors. theta energy: -211.214
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2313.888912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.888912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.595933 (E_RNA)
where:
Base-Base interactions energy: -1613.108
where: short stacking energy: -672.861
Base-Backbone interact. energy: -0.714
local terms energy: -702.774201
where:
bonds (distance) C4'-P energy: -124.242
bonds (distance) P-C4' energy: -129.176
flat angles C4'-P-C4' energy: -156.848
flat angles P-C4'-P energy: -108.156
tors. eta vs tors. theta energy: -184.352
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2133.856022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.856022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.420393 (E_RNA)
where:
Base-Base interactions energy: -1422.870
where: short stacking energy: -605.185
Base-Backbone interact. energy: -1.308
local terms energy: -711.241673
where:
bonds (distance) C4'-P energy: -148.045
bonds (distance) P-C4' energy: -134.402
flat angles C4'-P-C4' energy: -162.935
flat angles P-C4'-P energy: -84.048
tors. eta vs tors. theta energy: -181.812
Dist. restrs. and SS energy: 1.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2066.239624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.239624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.126699 (E_RNA)
where:
Base-Base interactions energy: -1403.618
where: short stacking energy: -586.401
Base-Backbone interact. energy: -2.671
local terms energy: -662.838225
where:
bonds (distance) C4'-P energy: -119.566
bonds (distance) P-C4' energy: -137.241
flat angles C4'-P-C4' energy: -160.156
flat angles P-C4'-P energy: -79.738
tors. eta vs tors. theta energy: -166.136
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: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1864.698240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.698240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.926557 (E_RNA)
where:
Base-Base interactions energy: -1285.532
where: short stacking energy: -529.686
Base-Backbone interact. energy: -3.560
local terms energy: -578.834331
where:
bonds (distance) C4'-P energy: -125.528
bonds (distance) P-C4' energy: -104.244
flat angles C4'-P-C4' energy: -129.644
flat angles P-C4'-P energy: -94.021
tors. eta vs tors. theta energy: -125.398
Dist. restrs. and SS energy: 3.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1820.889703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.889703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.278769 (E_RNA)
where:
Base-Base interactions energy: -1255.988
where: short stacking energy: -538.361
Base-Backbone interact. energy: -1.275
local terms energy: -568.015909
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -128.801
flat angles C4'-P-C4' energy: -117.548
flat angles P-C4'-P energy: -80.967
tors. eta vs tors. theta energy: -130.984
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2991.305014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.305014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.234127 (E_RNA)
where:
Base-Base interactions energy: -2085.412
where: short stacking energy: -845.265
Base-Backbone interact. energy: -5.115
local terms energy: -903.707129
where:
bonds (distance) C4'-P energy: -164.917
bonds (distance) P-C4' energy: -164.382
flat angles C4'-P-C4' energy: -188.959
flat angles P-C4'-P energy: -127.644
tors. eta vs tors. theta energy: -257.805
Dist. restrs. and SS energy: 2.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2884.066158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.066158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.564643 (E_RNA)
where:
Base-Base interactions energy: -2011.296
where: short stacking energy: -844.208
Base-Backbone interact. energy: -1.325
local terms energy: -873.943647
where:
bonds (distance) C4'-P energy: -170.703
bonds (distance) P-C4' energy: -158.830
flat angles C4'-P-C4' energy: -185.713
flat angles P-C4'-P energy: -121.874
tors. eta vs tors. theta energy: -236.823
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: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2674.455837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.455837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.545423 (E_RNA)
where:
Base-Base interactions energy: -1850.953
where: short stacking energy: -759.589
Base-Backbone interact. energy: -2.483
local terms energy: -824.110009
where:
bonds (distance) C4'-P energy: -127.470
bonds (distance) P-C4' energy: -173.096
flat angles C4'-P-C4' energy: -187.083
flat angles P-C4'-P energy: -114.273
tors. eta vs tors. theta energy: -222.187
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2604.461171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.461171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.369985 (E_RNA)
where:
Base-Base interactions energy: -1776.720
where: short stacking energy: -733.703
Base-Backbone interact. energy: -1.946
local terms energy: -828.703427
where:
bonds (distance) C4'-P energy: -137.035
bonds (distance) P-C4' energy: -173.238
flat angles C4'-P-C4' energy: -178.769
flat angles P-C4'-P energy: -127.582
tors. eta vs tors. theta energy: -212.079
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: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2520.752448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.752448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.194485 (E_RNA)
where:
Base-Base interactions energy: -1766.192
where: short stacking energy: -738.682
Base-Backbone interact. energy: 4.227
local terms energy: -761.229485
where:
bonds (distance) C4'-P energy: -156.316
bonds (distance) P-C4' energy: -142.586
flat angles C4'-P-C4' energy: -148.601
flat angles P-C4'-P energy: -95.627
tors. eta vs tors. theta energy: -218.099
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: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2341.801334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.801334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.440284 (E_RNA)
where:
Base-Base interactions energy: -1595.366
where: short stacking energy: -650.195
Base-Backbone interact. energy: 0.962
local terms energy: -750.036011
where:
bonds (distance) C4'-P energy: -150.321
bonds (distance) P-C4' energy: -145.619
flat angles C4'-P-C4' energy: -163.593
flat angles P-C4'-P energy: -112.158
tors. eta vs tors. theta energy: -178.344
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: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2119.890044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.890044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.044642 (E_RNA)
where:
Base-Base interactions energy: -1443.567
where: short stacking energy: -619.312
Base-Backbone interact. energy: 4.116
local terms energy: -682.593906
where:
bonds (distance) C4'-P energy: -127.155
bonds (distance) P-C4' energy: -141.118
flat angles C4'-P-C4' energy: -159.129
flat angles P-C4'-P energy: -93.137
tors. eta vs tors. theta energy: -162.054
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2056.304467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.304467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.075640 (E_RNA)
where:
Base-Base interactions energy: -1404.222
where: short stacking energy: -590.597
Base-Backbone interact. energy: -2.486
local terms energy: -652.367492
where:
bonds (distance) C4'-P energy: -129.390
bonds (distance) P-C4' energy: -133.024
flat angles C4'-P-C4' energy: -145.636
flat angles P-C4'-P energy: -86.976
tors. eta vs tors. theta energy: -157.340
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1895.933995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.933995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.252961 (E_RNA)
where:
Base-Base interactions energy: -1280.891
where: short stacking energy: -549.384
Base-Backbone interact. energy: 5.077
local terms energy: -626.438652
where:
bonds (distance) C4'-P energy: -130.591
bonds (distance) P-C4' energy: -100.513
flat angles C4'-P-C4' energy: -167.358
flat angles P-C4'-P energy: -110.630
tors. eta vs tors. theta energy: -117.347
Dist. restrs. and SS energy: 6.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1858.155246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.155246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.624243 (E_RNA)
where:
Base-Base interactions energy: -1283.258
where: short stacking energy: -531.112
Base-Backbone interact. energy: 1.371
local terms energy: -582.736879
where:
bonds (distance) C4'-P energy: -135.573
bonds (distance) P-C4' energy: -126.698
flat angles C4'-P-C4' energy: -118.996
flat angles P-C4'-P energy: -69.483
tors. eta vs tors. theta energy: -131.987
Dist. restrs. and SS energy: 6.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2964.279273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.279273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.159387 (E_RNA)
where:
Base-Base interactions energy: -2090.361
where: short stacking energy: -839.404
Base-Backbone interact. energy: -2.932
local terms energy: -871.866525
where:
bonds (distance) C4'-P energy: -156.683
bonds (distance) P-C4' energy: -154.180
flat angles C4'-P-C4' energy: -187.052
flat angles P-C4'-P energy: -135.846
tors. eta vs tors. theta energy: -238.105
Dist. restrs. and SS energy: 0.880 (S_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: 496
Temperature: 0.950000
Total energy: -2867.205677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.205677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.650813 (E_RNA)
where:
Base-Base interactions energy: -1975.326
where: short stacking energy: -842.143
Base-Backbone interact. energy: -3.835
local terms energy: -889.490020
where:
bonds (distance) C4'-P energy: -162.772
bonds (distance) P-C4' energy: -170.995
flat angles C4'-P-C4' energy: -184.560
flat angles P-C4'-P energy: -123.094
tors. eta vs tors. theta energy: -248.069
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: 4
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2707.411272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.411272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.876723 (E_RNA)
where:
Base-Base interactions energy: -1876.916
where: short stacking energy: -799.228
Base-Backbone interact. energy: -1.338
local terms energy: -831.621929
where:
bonds (distance) C4'-P energy: -157.722
bonds (distance) P-C4' energy: -151.610
flat angles C4'-P-C4' energy: -174.049
flat angles P-C4'-P energy: -110.866
tors. eta vs tors. theta energy: -237.375
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: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2583.070164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.070164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.204442 (E_RNA)
where:
Base-Base interactions energy: -1801.917
where: short stacking energy: -764.044
Base-Backbone interact. energy: -0.624
local terms energy: -782.663782
where:
bonds (distance) C4'-P energy: -140.778
bonds (distance) P-C4' energy: -141.855
flat angles C4'-P-C4' energy: -172.153
flat angles P-C4'-P energy: -106.917
tors. eta vs tors. theta energy: -220.961
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: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2443.723764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.723764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.821039 (E_RNA)
where:
Base-Base interactions energy: -1690.558
where: short stacking energy: -700.972
Base-Backbone interact. energy: 5.434
local terms energy: -759.696340
where:
bonds (distance) C4'-P energy: -152.477
bonds (distance) P-C4' energy: -133.631
flat angles C4'-P-C4' energy: -157.027
flat angles P-C4'-P energy: -112.876
tors. eta vs tors. theta energy: -203.686
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: 6, replica: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2304.307467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.307467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.344832 (E_RNA)
where:
Base-Base interactions energy: -1604.092
where: short stacking energy: -685.944
Base-Backbone interact. energy: -1.565
local terms energy: -700.688393
where:
bonds (distance) C4'-P energy: -112.995
bonds (distance) P-C4' energy: -147.242
flat angles C4'-P-C4' energy: -152.358
flat angles P-C4'-P energy: -109.282
tors. eta vs tors. theta energy: -178.812
Dist. restrs. and SS energy: 2.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2124.314452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.314452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.128825 (E_RNA)
where:
Base-Base interactions energy: -1458.982
where: short stacking energy: -632.098
Base-Backbone interact. energy: 6.809
local terms energy: -674.955395
where:
bonds (distance) C4'-P energy: -139.031
bonds (distance) P-C4' energy: -131.732
flat angles C4'-P-C4' energy: -149.051
flat angles P-C4'-P energy: -103.497
tors. eta vs tors. theta energy: -151.645
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: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2063.125580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.125580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.478494 (E_RNA)
where:
Base-Base interactions energy: -1392.432
where: short stacking energy: -604.749
Base-Backbone interact. energy: -1.666
local terms energy: -671.379805
where:
bonds (distance) C4'-P energy: -131.756
bonds (distance) P-C4' energy: -146.855
flat angles C4'-P-C4' energy: -136.247
flat angles P-C4'-P energy: -90.773
tors. eta vs tors. theta energy: -165.749
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: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1964.431251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.431251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.373621 (E_RNA)
where:
Base-Base interactions energy: -1314.269
where: short stacking energy: -540.096
Base-Backbone interact. energy: -2.740
local terms energy: -651.364327
where:
bonds (distance) C4'-P energy: -122.353
bonds (distance) P-C4' energy: -143.299
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -94.186
tors. eta vs tors. theta energy: -144.883
Dist. restrs. and SS energy: 3.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1850.612794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.612794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.698130 (E_RNA)
where:
Base-Base interactions energy: -1247.105
where: short stacking energy: -533.189
Base-Backbone interact. energy: 1.890
local terms energy: -608.482914
where:
bonds (distance) C4'-P energy: -106.922
bonds (distance) P-C4' energy: -126.293
flat angles C4'-P-C4' energy: -161.967
flat angles P-C4'-P energy: -99.603
tors. eta vs tors. theta energy: -113.698
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2933.377214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.377214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.333453 (E_RNA)
where:
Base-Base interactions energy: -2035.072
where: short stacking energy: -861.993
Base-Backbone interact. energy: -0.758
local terms energy: -899.503397
where:
bonds (distance) C4'-P energy: -160.603
bonds (distance) P-C4' energy: -167.426
flat angles C4'-P-C4' energy: -186.692
flat angles P-C4'-P energy: -134.673
tors. eta vs tors. theta energy: -250.109
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2847.686372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.686372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.017893 (E_RNA)
where:
Base-Base interactions energy: -1979.966
where: short stacking energy: -818.970
Base-Backbone interact. energy: -0.381
local terms energy: -869.671350
where:
bonds (distance) C4'-P energy: -160.381
bonds (distance) P-C4' energy: -169.505
flat angles C4'-P-C4' energy: -182.708
flat angles P-C4'-P energy: -115.194
tors. eta vs tors. theta energy: -241.883
Dist. restrs. and SS energy: 2.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2722.943662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.943662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.665670 (E_RNA)
where:
Base-Base interactions energy: -1891.770
where: short stacking energy: -774.560
Base-Backbone interact. energy: -1.995
local terms energy: -830.900661
where:
bonds (distance) C4'-P energy: -151.002
bonds (distance) P-C4' energy: -157.354
flat angles C4'-P-C4' energy: -195.833
flat angles P-C4'-P energy: -106.071
tors. eta vs tors. theta energy: -220.640
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: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2564.638979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.638979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.770220 (E_RNA)
where:
Base-Base interactions energy: -1785.467
where: short stacking energy: -740.871
Base-Backbone interact. energy: -3.611
local terms energy: -778.692965
where:
bonds (distance) C4'-P energy: -141.150
bonds (distance) P-C4' energy: -141.419
flat angles C4'-P-C4' energy: -159.722
flat angles P-C4'-P energy: -111.473
tors. eta vs tors. theta energy: -224.929
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: 5, replica: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2410.859834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.859834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.908336 (E_RNA)
where:
Base-Base interactions energy: -1644.991
where: short stacking energy: -664.310
Base-Backbone interact. energy: -0.128
local terms energy: -766.788729
where:
bonds (distance) C4'-P energy: -147.039
bonds (distance) P-C4' energy: -152.245
flat angles C4'-P-C4' energy: -175.567
flat angles P-C4'-P energy: -107.714
tors. eta vs tors. theta energy: -184.223
Dist. restrs. and SS energy: 1.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2267.338143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.338143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.356606 (E_RNA)
where:
Base-Base interactions energy: -1512.394
where: short stacking energy: -658.020
Base-Backbone interact. energy: 1.081
local terms energy: -758.043786
where:
bonds (distance) C4'-P energy: -146.683
bonds (distance) P-C4' energy: -155.871
flat angles C4'-P-C4' energy: -160.048
flat angles P-C4'-P energy: -107.347
tors. eta vs tors. theta energy: -188.095
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: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2114.257562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.257562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.783653 (E_RNA)
where:
Base-Base interactions energy: -1398.504
where: short stacking energy: -583.981
Base-Backbone interact. energy: 3.570
local terms energy: -722.850093
where:
bonds (distance) C4'-P energy: -133.473
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -170.004
flat angles P-C4'-P energy: -106.623
tors. eta vs tors. theta energy: -172.075
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: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -2058.834730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.834730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.292830 (E_RNA)
where:
Base-Base interactions energy: -1377.981
where: short stacking energy: -560.317
Base-Backbone interact. energy: -0.074
local terms energy: -682.237632
where:
bonds (distance) C4'-P energy: -144.213
bonds (distance) P-C4' energy: -125.061
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -103.536
tors. eta vs tors. theta energy: -159.095
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: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1940.698790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.698790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.462213 (E_RNA)
where:
Base-Base interactions energy: -1319.531
where: short stacking energy: -568.919
Base-Backbone interact. energy: -4.458
local terms energy: -621.472822
where:
bonds (distance) C4'-P energy: -137.831
bonds (distance) P-C4' energy: -110.303
flat angles C4'-P-C4' energy: -125.428
flat angles P-C4'-P energy: -102.797
tors. eta vs tors. theta energy: -145.113
Dist. restrs. and SS energy: 4.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1884.350271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.350271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.627605 (E_RNA)
where:
Base-Base interactions energy: -1278.742
where: short stacking energy: -539.350
Base-Backbone interact. energy: -1.362
local terms energy: -608.523869
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -145.206
flat angles C4'-P-C4' energy: -140.041
flat angles P-C4'-P energy: -63.139
tors. eta vs tors. theta energy: -141.574
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)
out arg RESULTS//1/NC_045512.2-160eed91_01
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2943.699116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.699116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.065098 (E_RNA)
where:
Base-Base interactions energy: -2040.558
where: short stacking energy: -823.853
Base-Backbone interact. energy: -0.389
local terms energy: -904.118133
where:
bonds (distance) C4'-P energy: -172.939
bonds (distance) P-C4' energy: -170.353
flat angles C4'-P-C4' energy: -182.951
flat angles P-C4'-P energy: -130.254
tors. eta vs tors. theta energy: -247.621
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2850.239982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.239982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.456685 (E_RNA)
where:
Base-Base interactions energy: -2016.112
where: short stacking energy: -810.175
Base-Backbone interact. energy: -0.275
local terms energy: -835.070041
where:
bonds (distance) C4'-P energy: -139.181
bonds (distance) P-C4' energy: -168.229
flat angles C4'-P-C4' energy: -183.791
flat angles P-C4'-P energy: -111.248
tors. eta vs tors. theta energy: -232.621
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: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2716.844096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.844096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.124366 (E_RNA)
where:
Base-Base interactions energy: -1929.605
where: short stacking energy: -765.625
Base-Backbone interact. energy: -0.853
local terms energy: -788.667226
where:
bonds (distance) C4'-P energy: -132.250
bonds (distance) P-C4' energy: -147.147
flat angles C4'-P-C4' energy: -172.943
flat angles P-C4'-P energy: -108.302
tors. eta vs tors. theta energy: -228.025
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: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2602.306171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.219585 (E_RNA)
where:
Base-Base interactions energy: -1791.698
where: short stacking energy: -729.428
Base-Backbone interact. energy: -2.851
local terms energy: -810.670927
where:
bonds (distance) C4'-P energy: -141.008
bonds (distance) P-C4' energy: -165.843
flat angles C4'-P-C4' energy: -171.987
flat angles P-C4'-P energy: -108.518
tors. eta vs tors. theta energy: -223.315
Dist. restrs. and SS energy: 2.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2450.642455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.642455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.686394 (E_RNA)
where:
Base-Base interactions energy: -1698.758
where: short stacking energy: -714.856
Base-Backbone interact. energy: 1.431
local terms energy: -755.358886
where:
bonds (distance) C4'-P energy: -136.476
bonds (distance) P-C4' energy: -154.888
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -104.090
tors. eta vs tors. theta energy: -203.645
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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2303.089046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.089046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.337951 (E_RNA)
where:
Base-Base interactions energy: -1591.141
where: short stacking energy: -657.611
Base-Backbone interact. energy: -2.232
local terms energy: -710.965198
where:
bonds (distance) C4'-P energy: -112.864
bonds (distance) P-C4' energy: -132.901
flat angles C4'-P-C4' energy: -163.011
flat angles P-C4'-P energy: -114.646
tors. eta vs tors. theta energy: -187.544
Dist. restrs. and SS energy: 1.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2081.741355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.741355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.354656 (E_RNA)
where:
Base-Base interactions energy: -1368.107
where: short stacking energy: -577.259
Base-Backbone interact. energy: -3.171
local terms energy: -713.076146
where:
bonds (distance) C4'-P energy: -141.635
bonds (distance) P-C4' energy: -157.626
flat angles C4'-P-C4' energy: -155.890
flat angles P-C4'-P energy: -105.574
tors. eta vs tors. theta energy: -152.352
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: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -2065.636094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.636094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.030159 (E_RNA)
where:
Base-Base interactions energy: -1411.578
where: short stacking energy: -603.680
Base-Backbone interact. energy: 1.415
local terms energy: -659.867518
where:
bonds (distance) C4'-P energy: -116.469
bonds (distance) P-C4' energy: -123.467
flat angles C4'-P-C4' energy: -144.338
flat angles P-C4'-P energy: -113.952
tors. eta vs tors. theta energy: -161.641
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1928.391795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.391795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.312675 (E_RNA)
where:
Base-Base interactions energy: -1313.983
where: short stacking energy: -532.267
Base-Backbone interact. energy: 2.881
local terms energy: -621.210659
where:
bonds (distance) C4'-P energy: -126.902
bonds (distance) P-C4' energy: -133.763
flat angles C4'-P-C4' energy: -132.401
flat angles P-C4'-P energy: -84.517
tors. eta vs tors. theta energy: -143.627
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1896.620336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.620336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.436751 (E_RNA)
where:
Base-Base interactions energy: -1301.087
where: short stacking energy: -522.616
Base-Backbone interact. energy: -1.853
local terms energy: -596.495813
where:
bonds (distance) C4'-P energy: -111.483
bonds (distance) P-C4' energy: -97.777
flat angles C4'-P-C4' energy: -143.810
flat angles P-C4'-P energy: -100.318
tors. eta vs tors. theta energy: -143.108
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)