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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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/test-a97498f1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-a97498f1/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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1968.508261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.508261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.515428 (E_RNA)
where:
Base-Base interactions energy: -1307.344
where: short stacking energy: -591.122
Base-Backbone interact. energy: 1.295
local terms energy: -715.467013
where:
bonds (distance) C4'-P energy: -141.020
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -161.574
flat angles P-C4'-P energy: -100.006
tors. eta vs tors. theta energy: -161.447
Dist. restrs. and SS energy: 53.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -2014.365033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.365033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.710195 (E_RNA)
where:
Base-Base interactions energy: -1358.104
where: short stacking energy: -581.876
Base-Backbone interact. energy: -2.172
local terms energy: -675.433757
where:
bonds (distance) C4'-P energy: -137.399
bonds (distance) P-C4' energy: -146.880
flat angles C4'-P-C4' energy: -158.967
flat angles P-C4'-P energy: -95.630
tors. eta vs tors. theta energy: -136.557
Dist. restrs. and SS energy: 21.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1977.811313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.811313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.552178 (E_RNA)
where:
Base-Base interactions energy: -1319.620
where: short stacking energy: -559.444
Base-Backbone interact. energy: -1.002
local terms energy: -675.930453
where:
bonds (distance) C4'-P energy: -133.233
bonds (distance) P-C4' energy: -143.918
flat angles C4'-P-C4' energy: -157.255
flat angles P-C4'-P energy: -88.971
tors. eta vs tors. theta energy: -152.554
Dist. restrs. and SS energy: 18.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1687.948090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.022414 (E_RNA)
where:
Base-Base interactions energy: -1127.547
where: short stacking energy: -517.132
Base-Backbone interact. energy: 3.271
local terms energy: -609.746443
where:
bonds (distance) C4'-P energy: -129.041
bonds (distance) P-C4' energy: -134.125
flat angles C4'-P-C4' energy: -141.185
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -120.364
Dist. restrs. and SS energy: 46.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -2303.800643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.800643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.626183 (E_RNA)
where:
Base-Base interactions energy: -1530.037
where: short stacking energy: -722.722
Base-Backbone interact. energy: -3.125
local terms energy: -814.463773
where:
bonds (distance) C4'-P energy: -167.468
bonds (distance) P-C4' energy: -166.227
flat angles C4'-P-C4' energy: -173.992
flat angles P-C4'-P energy: -111.858
tors. eta vs tors. theta energy: -194.919
Dist. restrs. and SS energy: 43.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -2331.678060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.678060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.754431 (E_RNA)
where:
Base-Base interactions energy: -1556.005
where: short stacking energy: -716.142
Base-Backbone interact. energy: -2.444
local terms energy: -778.304908
where:
bonds (distance) C4'-P energy: -148.037
bonds (distance) P-C4' energy: -156.133
flat angles C4'-P-C4' energy: -171.111
flat angles P-C4'-P energy: -116.112
tors. eta vs tors. theta energy: -186.912
Dist. restrs. and SS energy: 5.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -2116.996704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.025880 (E_RNA)
where:
Base-Base interactions energy: -1395.360
where: short stacking energy: -629.685
Base-Backbone interact. energy: 2.763
local terms energy: -748.429037
where:
bonds (distance) C4'-P energy: -158.771
bonds (distance) P-C4' energy: -154.748
flat angles C4'-P-C4' energy: -163.738
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -157.822
Dist. restrs. and SS energy: 24.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -2025.540646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.540646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.104746 (E_RNA)
where:
Base-Base interactions energy: -1340.536
where: short stacking energy: -619.319
Base-Backbone interact. energy: 1.212
local terms energy: -715.781259
where:
bonds (distance) C4'-P energy: -157.492
bonds (distance) P-C4' energy: -163.905
flat angles C4'-P-C4' energy: -163.075
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -152.077
Dist. restrs. and SS energy: 29.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -2051.103633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.103633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.588417 (E_RNA)
where:
Base-Base interactions energy: -1406.977
where: short stacking energy: -626.422
Base-Backbone interact. energy: 7.560
local terms energy: -678.171240
where:
bonds (distance) C4'-P energy: -128.846
bonds (distance) P-C4' energy: -144.648
flat angles C4'-P-C4' energy: -156.495
flat angles P-C4'-P energy: -84.551
tors. eta vs tors. theta energy: -163.631
Dist. restrs. and SS energy: 26.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -2002.994080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.994080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.229347 (E_RNA)
where:
Base-Base interactions energy: -1339.101
where: short stacking energy: -560.867
Base-Backbone interact. energy: -2.472
local terms energy: -668.656864
where:
bonds (distance) C4'-P energy: -135.794
bonds (distance) P-C4' energy: -155.460
flat angles C4'-P-C4' energy: -143.324
flat angles P-C4'-P energy: -96.773
tors. eta vs tors. theta energy: -137.306
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -2296.251598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.251598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.959042 (E_RNA)
where:
Base-Base interactions energy: -1527.257
where: short stacking energy: -697.956
Base-Backbone interact. energy: -2.656
local terms energy: -806.045493
where:
bonds (distance) C4'-P energy: -163.965
bonds (distance) P-C4' energy: -163.482
flat angles C4'-P-C4' energy: -175.753
flat angles P-C4'-P energy: -116.763
tors. eta vs tors. theta energy: -186.083
Dist. restrs. and SS energy: 39.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -2328.594193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.594193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.559279 (E_RNA)
where:
Base-Base interactions energy: -1551.233
where: short stacking energy: -730.013
Base-Backbone interact. energy: -1.806
local terms energy: -780.520724
where:
bonds (distance) C4'-P energy: -137.938
bonds (distance) P-C4' energy: -169.702
flat angles C4'-P-C4' energy: -182.132
flat angles P-C4'-P energy: -96.632
tors. eta vs tors. theta energy: -194.116
Dist. restrs. and SS energy: 4.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -2101.753987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.753987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.862338 (E_RNA)
where:
Base-Base interactions energy: -1378.351
where: short stacking energy: -640.080
Base-Backbone interact. energy: 8.796
local terms energy: -757.307111
where:
bonds (distance) C4'-P energy: -150.303
bonds (distance) P-C4' energy: -170.765
flat angles C4'-P-C4' energy: -159.379
flat angles P-C4'-P energy: -118.112
tors. eta vs tors. theta energy: -158.748
Dist. restrs. and SS energy: 25.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -2154.726375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.038596 (E_RNA)
where:
Base-Base interactions energy: -1453.880
where: short stacking energy: -629.021
Base-Backbone interact. energy: -1.295
local terms energy: -716.863388
where:
bonds (distance) C4'-P energy: -130.738
bonds (distance) P-C4' energy: -148.693
flat angles C4'-P-C4' energy: -166.813
flat angles P-C4'-P energy: -109.452
tors. eta vs tors. theta energy: -161.168
Dist. restrs. and SS energy: 17.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1990.135412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.135412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.246611 (E_RNA)
where:
Base-Base interactions energy: -1333.816
where: short stacking energy: -597.590
Base-Backbone interact. energy: -1.547
local terms energy: -686.883837
where:
bonds (distance) C4'-P energy: -148.472
bonds (distance) P-C4' energy: -154.553
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -96.766
tors. eta vs tors. theta energy: -139.764
Dist. restrs. and SS energy: 32.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -2034.759061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.759061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.127384 (E_RNA)
where:
Base-Base interactions energy: -1349.428
where: short stacking energy: -594.015
Base-Backbone interact. energy: -1.640
local terms energy: -695.059426
where:
bonds (distance) C4'-P energy: -127.247
bonds (distance) P-C4' energy: -138.474
flat angles C4'-P-C4' energy: -165.261
flat angles P-C4'-P energy: -101.323
tors. eta vs tors. theta energy: -162.754
Dist. restrs. and SS energy: 11.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1926.294892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.294892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.999854 (E_RNA)
where:
Base-Base interactions energy: -1255.130
where: short stacking energy: -522.791
Base-Backbone interact. energy: 1.214
local terms energy: -679.083319
where:
bonds (distance) C4'-P energy: -146.134
bonds (distance) P-C4' energy: -155.826
flat angles C4'-P-C4' energy: -135.719
flat angles P-C4'-P energy: -109.313
tors. eta vs tors. theta energy: -132.092
Dist. restrs. and SS energy: 6.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -2409.825127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.825127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.661341 (E_RNA)
where:
Base-Base interactions energy: -1585.958
where: short stacking energy: -746.408
Base-Backbone interact. energy: -1.372
local terms energy: -828.331050
where:
bonds (distance) C4'-P energy: -164.895
bonds (distance) P-C4' energy: -172.185
flat angles C4'-P-C4' energy: -179.189
flat angles P-C4'-P energy: -111.629
tors. eta vs tors. theta energy: -200.433
Dist. restrs. and SS energy: 5.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -2232.987104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.987104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.151625 (E_RNA)
where:
Base-Base interactions energy: -1491.354
where: short stacking energy: -667.286
Base-Backbone interact. energy: -2.602
local terms energy: -774.195805
where:
bonds (distance) C4'-P energy: -160.419
bonds (distance) P-C4' energy: -159.229
flat angles C4'-P-C4' energy: -164.659
flat angles P-C4'-P energy: -113.253
tors. eta vs tors. theta energy: -176.635
Dist. restrs. and SS energy: 35.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -2265.460272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.460272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.813778 (E_RNA)
where:
Base-Base interactions energy: -1536.729
where: short stacking energy: -691.711
Base-Backbone interact. energy: -1.796
local terms energy: -736.289049
where:
bonds (distance) C4'-P energy: -141.002
bonds (distance) P-C4' energy: -138.779
flat angles C4'-P-C4' energy: -181.709
flat angles P-C4'-P energy: -89.280
tors. eta vs tors. theta energy: -185.520
Dist. restrs. and SS energy: 9.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -2079.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.921998 (E_RNA)
where:
Base-Base interactions energy: -1355.062
where: short stacking energy: -613.842
Base-Backbone interact. energy: -0.938
local terms energy: -743.921484
where:
bonds (distance) C4'-P energy: -139.789
bonds (distance) P-C4' energy: -162.298
flat angles C4'-P-C4' energy: -170.594
flat angles P-C4'-P energy: -101.709
tors. eta vs tors. theta energy: -169.531
Dist. restrs. and SS energy: 20.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2078.218198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.218198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.075491 (E_RNA)
where:
Base-Base interactions energy: -1348.535
where: short stacking energy: -584.749
Base-Backbone interact. energy: -3.697
local terms energy: -739.843505
where:
bonds (distance) C4'-P energy: -160.915
bonds (distance) P-C4' energy: -156.159
flat angles C4'-P-C4' energy: -164.051
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -160.766
Dist. restrs. and SS energy: 13.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1899.180166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.180166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.848173 (E_RNA)
where:
Base-Base interactions energy: -1281.034
where: short stacking energy: -572.155
Base-Backbone interact. energy: -0.859
local terms energy: -653.956071
where:
bonds (distance) C4'-P energy: -129.161
bonds (distance) P-C4' energy: -151.307
flat angles C4'-P-C4' energy: -141.054
flat angles P-C4'-P energy: -86.684
tors. eta vs tors. theta energy: -145.749
Dist. restrs. and SS energy: 36.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1966.717096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.717096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.159525 (E_RNA)
where:
Base-Base interactions energy: -1294.036
where: short stacking energy: -558.026
Base-Backbone interact. energy: -0.380
local terms energy: -678.743898
where:
bonds (distance) C4'-P energy: -147.912
bonds (distance) P-C4' energy: -151.956
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -112.166
tors. eta vs tors. theta energy: -141.157
Dist. restrs. and SS energy: 6.442 (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: 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: -2454.813883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.813883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.671739 (E_RNA)
where:
Base-Base interactions energy: -1644.577
where: short stacking energy: -745.616
Base-Backbone interact. energy: -1.875
local terms energy: -812.220519
where:
bonds (distance) C4'-P energy: -163.655
bonds (distance) P-C4' energy: -166.366
flat angles C4'-P-C4' energy: -172.012
flat angles P-C4'-P energy: -116.241
tors. eta vs tors. theta energy: -193.947
Dist. restrs. and SS energy: 3.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2207.844648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.844648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.974792 (E_RNA)
where:
Base-Base interactions energy: -1458.155
where: short stacking energy: -656.289
Base-Backbone interact. energy: -2.069
local terms energy: -780.750783
where:
bonds (distance) C4'-P energy: -162.877
bonds (distance) P-C4' energy: -168.181
flat angles C4'-P-C4' energy: -174.508
flat angles P-C4'-P energy: -100.555
tors. eta vs tors. theta energy: -174.629
Dist. restrs. and SS energy: 33.130 (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: 13
Temperature: 1.000000
Total energy: -2244.224638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.224638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.622201 (E_RNA)
where:
Base-Base interactions energy: -1481.996
where: short stacking energy: -685.900
Base-Backbone interact. energy: -0.336
local terms energy: -776.290782
where:
bonds (distance) C4'-P energy: -155.091
bonds (distance) P-C4' energy: -158.884
flat angles C4'-P-C4' energy: -159.233
flat angles P-C4'-P energy: -116.671
tors. eta vs tors. theta energy: -186.411
Dist. restrs. and SS energy: 14.398 (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: 13
Temperature: 1.050000
Total energy: -2246.985290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.985290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.053931 (E_RNA)
where:
Base-Base interactions energy: -1519.977
where: short stacking energy: -672.029
Base-Backbone interact. energy: 1.243
local terms energy: -733.320596
where:
bonds (distance) C4'-P energy: -152.456
bonds (distance) P-C4' energy: -140.468
flat angles C4'-P-C4' energy: -160.037
flat angles P-C4'-P energy: -97.182
tors. eta vs tors. theta energy: -183.177
Dist. restrs. and SS energy: 5.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -2064.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.855254 (E_RNA)
where:
Base-Base interactions energy: -1379.090
where: short stacking energy: -606.663
Base-Backbone interact. energy: -0.456
local terms energy: -692.308855
where:
bonds (distance) C4'-P energy: -140.398
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -157.223
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -156.322
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2116.429184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.429184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.732305 (E_RNA)
where:
Base-Base interactions energy: -1415.883
where: short stacking energy: -621.638
Base-Backbone interact. energy: 0.454
local terms energy: -705.303460
where:
bonds (distance) C4'-P energy: -142.842
bonds (distance) P-C4' energy: -136.375
flat angles C4'-P-C4' energy: -167.126
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -171.667
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: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1810.204064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.204064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.358435 (E_RNA)
where:
Base-Base interactions energy: -1195.629
where: short stacking energy: -515.250
Base-Backbone interact. energy: -1.836
local terms energy: -651.892890
where:
bonds (distance) C4'-P energy: -125.207
bonds (distance) P-C4' energy: -147.162
flat angles C4'-P-C4' energy: -147.508
flat angles P-C4'-P energy: -92.801
tors. eta vs tors. theta energy: -139.215
Dist. restrs. and SS energy: 39.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -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: -2449.840225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.840225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.407013 (E_RNA)
where:
Base-Base interactions energy: -1639.204
where: short stacking energy: -754.883
Base-Backbone interact. energy: -5.166
local terms energy: -808.037295
where:
bonds (distance) C4'-P energy: -164.231
bonds (distance) P-C4' energy: -150.450
flat angles C4'-P-C4' energy: -171.108
flat angles P-C4'-P energy: -119.869
tors. eta vs tors. theta energy: -202.379
Dist. restrs. and SS energy: 2.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2252.384126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.384126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.085896 (E_RNA)
where:
Base-Base interactions energy: -1469.382
where: short stacking energy: -680.980
Base-Backbone interact. energy: -2.137
local terms energy: -817.567060
where:
bonds (distance) C4'-P energy: -161.741
bonds (distance) P-C4' energy: -165.385
flat angles C4'-P-C4' energy: -185.116
flat angles P-C4'-P energy: -111.119
tors. eta vs tors. theta energy: -194.206
Dist. restrs. and SS energy: 36.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2251.827221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.827221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.434526 (E_RNA)
where:
Base-Base interactions energy: -1493.143
where: short stacking energy: -660.359
Base-Backbone interact. energy: -1.841
local terms energy: -768.450440
where:
bonds (distance) C4'-P energy: -165.603
bonds (distance) P-C4' energy: -144.220
flat angles C4'-P-C4' energy: -166.979
flat angles P-C4'-P energy: -116.263
tors. eta vs tors. theta energy: -175.386
Dist. restrs. and SS energy: 11.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2231.934400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.934400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.059567 (E_RNA)
where:
Base-Base interactions energy: -1520.651
where: short stacking energy: -647.564
Base-Backbone interact. energy: -2.065
local terms energy: -713.343397
where:
bonds (distance) C4'-P energy: -151.362
bonds (distance) P-C4' energy: -137.965
flat angles C4'-P-C4' energy: -154.813
flat angles P-C4'-P energy: -96.540
tors. eta vs tors. theta energy: -172.665
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2151.869076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.869076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.675416 (E_RNA)
where:
Base-Base interactions energy: -1455.687
where: short stacking energy: -614.709
Base-Backbone interact. energy: 0.011
local terms energy: -697.999108
where:
bonds (distance) C4'-P energy: -126.258
bonds (distance) P-C4' energy: -153.912
flat angles C4'-P-C4' energy: -165.746
flat angles P-C4'-P energy: -97.743
tors. eta vs tors. theta energy: -154.340
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 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: -1792.031322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.031322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.568788 (E_RNA)
where:
Base-Base interactions energy: -1187.022
where: short stacking energy: -517.182
Base-Backbone interact. energy: -0.653
local terms energy: -636.893764
where:
bonds (distance) C4'-P energy: -130.013
bonds (distance) P-C4' energy: -143.400
flat angles C4'-P-C4' energy: -151.907
flat angles P-C4'-P energy: -79.065
tors. eta vs tors. theta energy: -132.509
Dist. restrs. and SS energy: 32.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1791.403826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.403826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.028288 (E_RNA)
where:
Base-Base interactions energy: -1239.434
where: short stacking energy: -495.517
Base-Backbone interact. energy: 2.425
local terms energy: -559.019688
where:
bonds (distance) C4'-P energy: -109.835
bonds (distance) P-C4' energy: -107.716
flat angles C4'-P-C4' energy: -128.374
flat angles P-C4'-P energy: -102.042
tors. eta vs tors. theta energy: -111.053
Dist. restrs. and SS energy: 4.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1701.737731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.737731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.954087 (E_RNA)
where:
Base-Base interactions energy: -1179.527
where: short stacking energy: -488.517
Base-Backbone interact. energy: 2.180
local terms energy: -548.606634
where:
bonds (distance) C4'-P energy: -116.885
bonds (distance) P-C4' energy: -127.638
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -71.210
tors. eta vs tors. theta energy: -105.409
Dist. restrs. and SS energy: 24.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -2449.849568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.849568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.499811 (E_RNA)
where:
Base-Base interactions energy: -1629.509
where: short stacking energy: -729.759
Base-Backbone interact. energy: -0.881
local terms energy: -822.110025
where:
bonds (distance) C4'-P energy: -159.330
bonds (distance) P-C4' energy: -164.269
flat angles C4'-P-C4' energy: -170.344
flat angles P-C4'-P energy: -126.509
tors. eta vs tors. theta energy: -201.658
Dist. restrs. and SS energy: 2.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2338.638982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.638982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.163826 (E_RNA)
where:
Base-Base interactions energy: -1541.296
where: short stacking energy: -700.777
Base-Backbone interact. energy: 0.168
local terms energy: -813.036082
where:
bonds (distance) C4'-P energy: -170.949
bonds (distance) P-C4' energy: -173.592
flat angles C4'-P-C4' energy: -162.139
flat angles P-C4'-P energy: -112.401
tors. eta vs tors. theta energy: -193.954
Dist. restrs. and SS energy: 15.525 (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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2172.951272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.951272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.547546 (E_RNA)
where:
Base-Base interactions energy: -1415.966
where: short stacking energy: -641.352
Base-Backbone interact. energy: -5.935
local terms energy: -780.646604
where:
bonds (distance) C4'-P energy: -147.700
bonds (distance) P-C4' energy: -145.428
flat angles C4'-P-C4' energy: -177.070
flat angles P-C4'-P energy: -113.596
tors. eta vs tors. theta energy: -196.852
Dist. restrs. and SS energy: 29.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2213.902185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.902185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.984380 (E_RNA)
where:
Base-Base interactions energy: -1492.236
where: short stacking energy: -646.971
Base-Backbone interact. energy: -3.683
local terms energy: -724.064523
where:
bonds (distance) C4'-P energy: -147.276
bonds (distance) P-C4' energy: -137.949
flat angles C4'-P-C4' energy: -159.674
flat angles P-C4'-P energy: -107.589
tors. eta vs tors. theta energy: -171.577
Dist. restrs. and SS energy: 6.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2158.337395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.337395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.853052 (E_RNA)
where:
Base-Base interactions energy: -1418.574
where: short stacking energy: -641.202
Base-Backbone interact. energy: 0.698
local terms energy: -744.977744
where:
bonds (distance) C4'-P energy: -149.590
bonds (distance) P-C4' energy: -157.735
flat angles C4'-P-C4' energy: -165.898
flat angles P-C4'-P energy: -99.121
tors. eta vs tors. theta energy: -172.634
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: 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: -1804.103984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.103984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.969485 (E_RNA)
where:
Base-Base interactions energy: -1192.126
where: short stacking energy: -530.674
Base-Backbone interact. energy: -0.410
local terms energy: -642.433900
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -154.677
flat angles P-C4'-P energy: -70.027
tors. eta vs tors. theta energy: -134.302
Dist. restrs. and SS energy: 30.866 (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: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1968.265788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.265788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.969365 (E_RNA)
where:
Base-Base interactions energy: -1334.542
where: short stacking energy: -569.760
Base-Backbone interact. energy: -2.686
local terms energy: -634.741904
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -139.723
flat angles C4'-P-C4' energy: -141.561
flat angles P-C4'-P energy: -104.823
tors. eta vs tors. theta energy: -138.317
Dist. restrs. and SS energy: 3.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1767.464428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.464428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.193077 (E_RNA)
where:
Base-Base interactions energy: -1212.119
where: short stacking energy: -531.586
Base-Backbone interact. energy: 6.859
local terms energy: -571.933617
where:
bonds (distance) C4'-P energy: -121.448
bonds (distance) P-C4' energy: -107.093
flat angles C4'-P-C4' energy: -140.007
flat angles P-C4'-P energy: -80.877
tors. eta vs tors. theta energy: -122.508
Dist. restrs. and SS energy: 9.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1734.931005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.931005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.586476 (E_RNA)
where:
Base-Base interactions energy: -1218.671
where: short stacking energy: -490.221
Base-Backbone interact. energy: -2.888
local terms energy: -524.026734
where:
bonds (distance) C4'-P energy: -112.966
bonds (distance) P-C4' energy: -117.761
flat angles C4'-P-C4' energy: -115.741
flat angles P-C4'-P energy: -69.807
tors. eta vs tors. theta energy: -107.752
Dist. restrs. and SS energy: 10.655 (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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2492.716898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.716898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.646854 (E_RNA)
where:
Base-Base interactions energy: -1673.243
where: short stacking energy: -756.006
Base-Backbone interact. energy: -0.829
local terms energy: -821.575293
where:
bonds (distance) C4'-P energy: -150.359
bonds (distance) P-C4' energy: -165.344
flat angles C4'-P-C4' energy: -183.464
flat angles P-C4'-P energy: -112.549
tors. eta vs tors. theta energy: -209.859
Dist. restrs. and SS energy: 2.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2345.383505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.383505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.121818 (E_RNA)
where:
Base-Base interactions energy: -1581.561
where: short stacking energy: -687.412
Base-Backbone interact. energy: -2.269
local terms energy: -772.292236
where:
bonds (distance) C4'-P energy: -138.629
bonds (distance) P-C4' energy: -154.607
flat angles C4'-P-C4' energy: -176.861
flat angles P-C4'-P energy: -104.283
tors. eta vs tors. theta energy: -197.912
Dist. restrs. and SS energy: 10.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2303.992720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.992720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.393662 (E_RNA)
where:
Base-Base interactions energy: -1557.104
where: short stacking energy: -681.736
Base-Backbone interact. energy: -0.885
local terms energy: -751.404654
where:
bonds (distance) C4'-P energy: -138.918
bonds (distance) P-C4' energy: -156.277
flat angles C4'-P-C4' energy: -166.975
flat angles P-C4'-P energy: -109.386
tors. eta vs tors. theta energy: -179.849
Dist. restrs. and SS energy: 5.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2042.225328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.225328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.941722 (E_RNA)
where:
Base-Base interactions energy: -1385.716
where: short stacking energy: -586.222
Base-Backbone interact. energy: -0.325
local terms energy: -692.901100
where:
bonds (distance) C4'-P energy: -150.012
bonds (distance) P-C4' energy: -135.057
flat angles C4'-P-C4' energy: -154.846
flat angles P-C4'-P energy: -93.649
tors. eta vs tors. theta energy: -159.337
Dist. restrs. and SS energy: 36.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2164.554064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.554064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.651276 (E_RNA)
where:
Base-Base interactions energy: -1437.798
where: short stacking energy: -641.018
Base-Backbone interact. energy: -2.889
local terms energy: -726.964139
where:
bonds (distance) C4'-P energy: -144.833
bonds (distance) P-C4' energy: -156.966
flat angles C4'-P-C4' energy: -150.362
flat angles P-C4'-P energy: -92.750
tors. eta vs tors. theta energy: -182.054
Dist. restrs. and SS energy: 3.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2028.973811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.973811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.250353 (E_RNA)
where:
Base-Base interactions energy: -1345.692
where: short stacking energy: -590.539
Base-Backbone interact. energy: 2.304
local terms energy: -690.862840
where:
bonds (distance) C4'-P energy: -136.809
bonds (distance) P-C4' energy: -152.569
flat angles C4'-P-C4' energy: -147.771
flat angles P-C4'-P energy: -98.741
tors. eta vs tors. theta energy: -154.974
Dist. restrs. and SS energy: 5.277 (S_DIST_RNA)
chem. 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: -1760.131384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.131384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.477859 (E_RNA)
where:
Base-Base interactions energy: -1116.858
where: short stacking energy: -518.176
Base-Backbone interact. energy: 1.409
local terms energy: -663.028569
where:
bonds (distance) C4'-P energy: -161.282
bonds (distance) P-C4' energy: -149.887
flat angles C4'-P-C4' energy: -157.147
flat angles P-C4'-P energy: -78.487
tors. eta vs tors. theta energy: -116.226
Dist. restrs. and SS energy: 18.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1808.287041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.287041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.443284 (E_RNA)
where:
Base-Base interactions energy: -1228.087
where: short stacking energy: -520.819
Base-Backbone interact. energy: 0.703
local terms energy: -592.059826
where:
bonds (distance) C4'-P energy: -128.499
bonds (distance) P-C4' energy: -134.466
flat angles C4'-P-C4' energy: -128.736
flat angles P-C4'-P energy: -69.779
tors. eta vs tors. theta energy: -130.579
Dist. restrs. and SS energy: 11.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1686.143647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.143647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.435700 (E_RNA)
where:
Base-Base interactions energy: -1180.500
where: short stacking energy: -477.478
Base-Backbone interact. energy: -1.069
local terms energy: -518.867134
where:
bonds (distance) C4'-P energy: -99.778
bonds (distance) P-C4' energy: -130.598
flat angles C4'-P-C4' energy: -112.331
flat angles P-C4'-P energy: -72.034
tors. eta vs tors. theta energy: -104.126
Dist. restrs. and SS energy: 14.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2585.483946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.483946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.626264 (E_RNA)
where:
Base-Base interactions energy: -1730.783
where: short stacking energy: -753.623
Base-Backbone interact. energy: 1.464
local terms energy: -858.307186
where:
bonds (distance) C4'-P energy: -154.963
bonds (distance) P-C4' energy: -178.680
flat angles C4'-P-C4' energy: -181.204
flat angles P-C4'-P energy: -135.069
tors. eta vs tors. theta energy: -208.391
Dist. restrs. and SS energy: 2.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2431.193834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.193834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.814880 (E_RNA)
where:
Base-Base interactions energy: -1615.243
where: short stacking energy: -725.151
Base-Backbone interact. energy: 2.065
local terms energy: -834.636982
where:
bonds (distance) C4'-P energy: -164.679
bonds (distance) P-C4' energy: -168.507
flat angles C4'-P-C4' energy: -177.069
flat angles P-C4'-P energy: -111.608
tors. eta vs tors. theta energy: -212.774
Dist. restrs. and SS energy: 16.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2332.787104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.787104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.334078 (E_RNA)
where:
Base-Base interactions energy: -1590.923
where: short stacking energy: -702.089
Base-Backbone interact. energy: 1.453
local terms energy: -745.864048
where:
bonds (distance) C4'-P energy: -145.556
bonds (distance) P-C4' energy: -144.273
flat angles C4'-P-C4' energy: -165.823
flat angles P-C4'-P energy: -102.679
tors. eta vs tors. theta energy: -187.534
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2253.643794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.643794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.299220 (E_RNA)
where:
Base-Base interactions energy: -1495.851
where: short stacking energy: -682.428
Base-Backbone interact. energy: -1.482
local terms energy: -763.966460
where:
bonds (distance) C4'-P energy: -141.900
bonds (distance) P-C4' energy: -159.451
flat angles C4'-P-C4' energy: -185.858
flat angles P-C4'-P energy: -92.636
tors. eta vs tors. theta energy: -184.122
Dist. restrs. and SS energy: 7.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2022.491980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.491980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.858592 (E_RNA)
where:
Base-Base interactions energy: -1326.752
where: short stacking energy: -592.093
Base-Backbone interact. energy: 1.657
local terms energy: -714.763660
where:
bonds (distance) C4'-P energy: -127.999
bonds (distance) P-C4' energy: -161.215
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -108.596
tors. eta vs tors. theta energy: -162.760
Dist. restrs. and SS energy: 17.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2045.624908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.624908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.017633 (E_RNA)
where:
Base-Base interactions energy: -1386.349
where: short stacking energy: -592.023
Base-Backbone interact. energy: -3.463
local terms energy: -660.205867
where:
bonds (distance) C4'-P energy: -144.066
bonds (distance) P-C4' energy: -141.235
flat angles C4'-P-C4' energy: -135.124
flat angles P-C4'-P energy: -88.020
tors. eta vs tors. theta energy: -151.762
Dist. restrs. and SS energy: 4.393 (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: 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: -1728.935375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.935375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.871301 (E_RNA)
where:
Base-Base interactions energy: -1141.286
where: short stacking energy: -475.660
Base-Backbone interact. energy: -1.654
local terms energy: -606.931216
where:
bonds (distance) C4'-P energy: -139.447
bonds (distance) P-C4' energy: -148.488
flat angles C4'-P-C4' energy: -107.610
flat angles P-C4'-P energy: -82.278
tors. eta vs tors. theta energy: -129.109
Dist. restrs. and SS energy: 20.936 (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: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1920.785930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.785930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.721265 (E_RNA)
where:
Base-Base interactions energy: -1293.740
where: short stacking energy: -530.354
Base-Backbone interact. energy: -2.316
local terms energy: -626.664534
where:
bonds (distance) C4'-P energy: -128.194
bonds (distance) P-C4' energy: -139.380
flat angles C4'-P-C4' energy: -121.113
flat angles P-C4'-P energy: -88.349
tors. eta vs tors. theta energy: -149.629
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1765.793021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.793021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.127218 (E_RNA)
where:
Base-Base interactions energy: -1214.143
where: short stacking energy: -486.227
Base-Backbone interact. energy: 4.173
local terms energy: -565.157768
where:
bonds (distance) C4'-P energy: -110.882
bonds (distance) P-C4' energy: -130.561
flat angles C4'-P-C4' energy: -142.133
flat angles P-C4'-P energy: -80.569
tors. eta vs tors. theta energy: -101.012
Dist. restrs. and SS energy: 9.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2603.851687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.851687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.506083 (E_RNA)
where:
Base-Base interactions energy: -1764.786
where: short stacking energy: -781.898
Base-Backbone interact. energy: -1.258
local terms energy: -840.462122
where:
bonds (distance) C4'-P energy: -157.202
bonds (distance) P-C4' energy: -152.840
flat angles C4'-P-C4' energy: -184.100
flat angles P-C4'-P energy: -118.565
tors. eta vs tors. theta energy: -227.755
Dist. restrs. and SS energy: 2.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2453.626199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.626199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.288819 (E_RNA)
where:
Base-Base interactions energy: -1696.957
where: short stacking energy: -743.921
Base-Backbone interact. energy: 0.943
local terms energy: -768.274408
where:
bonds (distance) C4'-P energy: -150.257
bonds (distance) P-C4' energy: -158.508
flat angles C4'-P-C4' energy: -171.738
flat angles P-C4'-P energy: -95.382
tors. eta vs tors. theta energy: -192.391
Dist. restrs. and SS energy: 10.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2331.429031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.429031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.515147 (E_RNA)
where:
Base-Base interactions energy: -1550.856
where: short stacking energy: -705.075
Base-Backbone interact. energy: -0.746
local terms energy: -788.912990
where:
bonds (distance) C4'-P energy: -140.648
bonds (distance) P-C4' energy: -161.147
flat angles C4'-P-C4' energy: -166.414
flat angles P-C4'-P energy: -117.274
tors. eta vs tors. theta energy: -203.430
Dist. restrs. and SS energy: 9.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2303.129495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.129495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.423121 (E_RNA)
where:
Base-Base interactions energy: -1543.039
where: short stacking energy: -664.325
Base-Backbone interact. energy: -5.000
local terms energy: -762.383957
where:
bonds (distance) C4'-P energy: -149.030
bonds (distance) P-C4' energy: -174.231
flat angles C4'-P-C4' energy: -169.755
flat angles P-C4'-P energy: -78.523
tors. eta vs tors. theta energy: -190.845
Dist. restrs. and SS energy: 7.294 (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: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2018.984140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.984140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.194363 (E_RNA)
where:
Base-Base interactions energy: -1349.638
where: short stacking energy: -572.872
Base-Backbone interact. energy: -0.725
local terms energy: -685.831766
where:
bonds (distance) C4'-P energy: -133.457
bonds (distance) P-C4' energy: -147.398
flat angles C4'-P-C4' energy: -155.781
flat angles P-C4'-P energy: -105.879
tors. eta vs tors. theta energy: -143.317
Dist. restrs. and SS energy: 17.210 (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: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -2087.500487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.500487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.420642 (E_RNA)
where:
Base-Base interactions energy: -1401.497
where: short stacking energy: -597.457
Base-Backbone interact. energy: 0.665
local terms energy: -692.587986
where:
bonds (distance) C4'-P energy: -152.194
bonds (distance) P-C4' energy: -140.427
flat angles C4'-P-C4' energy: -158.732
flat angles P-C4'-P energy: -84.842
tors. eta vs tors. theta energy: -156.393
Dist. restrs. and SS energy: 5.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1950.692382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.692382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.099523 (E_RNA)
where:
Base-Base interactions energy: -1317.402
where: short stacking energy: -570.938
Base-Backbone interact. energy: -3.479
local terms energy: -635.218928
where:
bonds (distance) C4'-P energy: -134.329
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -149.164
flat angles P-C4'-P energy: -71.811
tors. eta vs tors. theta energy: -138.035
Dist. restrs. and SS energy: 5.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1819.651832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.651832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.966535 (E_RNA)
where:
Base-Base interactions energy: -1231.616
where: short stacking energy: -528.534
Base-Backbone interact. energy: -1.049
local terms energy: -608.301813
where:
bonds (distance) C4'-P energy: -128.894
bonds (distance) P-C4' energy: -127.262
flat angles C4'-P-C4' energy: -142.654
flat angles P-C4'-P energy: -68.520
tors. eta vs tors. theta energy: -140.972
Dist. restrs. and SS energy: 21.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1918.901644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.901644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.326832 (E_RNA)
where:
Base-Base interactions energy: -1290.557
where: short stacking energy: -540.850
Base-Backbone interact. energy: 3.307
local terms energy: -636.076629
where:
bonds (distance) C4'-P energy: -136.401
bonds (distance) P-C4' energy: -127.749
flat angles C4'-P-C4' energy: -140.773
flat angles P-C4'-P energy: -90.986
tors. eta vs tors. theta energy: -140.167
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1752.706616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.706616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.332443 (E_RNA)
where:
Base-Base interactions energy: -1176.176
where: short stacking energy: -495.221
Base-Backbone interact. energy: 1.502
local terms energy: -586.659187
where:
bonds (distance) C4'-P energy: -111.392
bonds (distance) P-C4' energy: -159.152
flat angles C4'-P-C4' energy: -111.828
flat angles P-C4'-P energy: -87.594
tors. eta vs tors. theta energy: -116.693
Dist. restrs. and SS energy: 8.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2596.069970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.069970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.197895 (E_RNA)
where:
Base-Base interactions energy: -1734.708
where: short stacking energy: -744.163
Base-Backbone interact. energy: -4.324
local terms energy: -859.165405
where:
bonds (distance) C4'-P energy: -170.722
bonds (distance) P-C4' energy: -169.335
flat angles C4'-P-C4' energy: -187.868
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -212.366
Dist. restrs. and SS energy: 2.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2438.292876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.292876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.176120 (E_RNA)
where:
Base-Base interactions energy: -1636.539
where: short stacking energy: -725.428
Base-Backbone interact. energy: -2.286
local terms energy: -809.351779
where:
bonds (distance) C4'-P energy: -163.556
bonds (distance) P-C4' energy: -154.092
flat angles C4'-P-C4' energy: -177.081
flat angles P-C4'-P energy: -112.755
tors. eta vs tors. theta energy: -201.869
Dist. restrs. and SS energy: 9.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2341.399926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.399926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.592931 (E_RNA)
where:
Base-Base interactions energy: -1553.790
where: short stacking energy: -686.315
Base-Backbone interact. energy: 1.303
local terms energy: -799.105516
where:
bonds (distance) C4'-P energy: -152.002
bonds (distance) P-C4' energy: -155.763
flat angles C4'-P-C4' energy: -173.550
flat angles P-C4'-P energy: -125.241
tors. eta vs tors. theta energy: -192.549
Dist. restrs. and SS energy: 10.193 (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: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2241.483410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.483410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.706168 (E_RNA)
where:
Base-Base interactions energy: -1533.188
where: short stacking energy: -675.588
Base-Backbone interact. energy: 0.578
local terms energy: -726.096038
where:
bonds (distance) C4'-P energy: -137.656
bonds (distance) P-C4' energy: -156.058
flat angles C4'-P-C4' energy: -165.898
flat angles P-C4'-P energy: -82.639
tors. eta vs tors. theta energy: -183.844
Dist. restrs. and SS energy: 17.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2030.951893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.951893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.476030 (E_RNA)
where:
Base-Base interactions energy: -1330.976
where: short stacking energy: -590.396
Base-Backbone interact. energy: -2.826
local terms energy: -708.674456
where:
bonds (distance) C4'-P energy: -146.421
bonds (distance) P-C4' energy: -159.153
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -93.036
tors. eta vs tors. theta energy: -159.673
Dist. restrs. and SS energy: 11.524 (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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2116.326921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.326921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.685129 (E_RNA)
where:
Base-Base interactions energy: -1382.621
where: short stacking energy: -606.828
Base-Backbone interact. energy: -0.386
local terms energy: -736.677603
where:
bonds (distance) C4'-P energy: -134.266
bonds (distance) P-C4' energy: -133.450
flat angles C4'-P-C4' energy: -149.536
flat angles P-C4'-P energy: -120.000
tors. eta vs tors. theta energy: -199.425
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: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -2012.625710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.625710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.538530 (E_RNA)
where:
Base-Base interactions energy: -1331.318
where: short stacking energy: -565.340
Base-Backbone interact. energy: -0.468
local terms energy: -687.753254
where:
bonds (distance) C4'-P energy: -144.172
bonds (distance) P-C4' energy: -146.290
flat angles C4'-P-C4' energy: -138.635
flat angles P-C4'-P energy: -96.319
tors. eta vs tors. theta energy: -162.337
Dist. restrs. and SS energy: 6.913 (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: 19
Temperature: 1.250000
Total energy: -2004.665294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.665294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.980197 (E_RNA)
where:
Base-Base interactions energy: -1356.430
where: short stacking energy: -566.182
Base-Backbone interact. energy: -0.427
local terms energy: -651.122784
where:
bonds (distance) C4'-P energy: -118.745
bonds (distance) P-C4' energy: -137.097
flat angles C4'-P-C4' energy: -151.935
flat angles P-C4'-P energy: -91.814
tors. eta vs tors. theta energy: -151.532
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: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1847.107923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.107923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.709063 (E_RNA)
where:
Base-Base interactions energy: -1270.339
where: short stacking energy: -526.321
Base-Backbone interact. energy: -2.136
local terms energy: -584.233978
where:
bonds (distance) C4'-P energy: -98.332
bonds (distance) P-C4' energy: -118.997
flat angles C4'-P-C4' energy: -146.152
flat angles P-C4'-P energy: -98.427
tors. eta vs tors. theta energy: -122.326
Dist. restrs. and SS energy: 9.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1824.740677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.740677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.279117 (E_RNA)
where:
Base-Base interactions energy: -1232.680
where: short stacking energy: -512.533
Base-Backbone interact. energy: -1.163
local terms energy: -593.435892
where:
bonds (distance) C4'-P energy: -131.805
bonds (distance) P-C4' energy: -133.072
flat angles C4'-P-C4' energy: -147.590
flat angles P-C4'-P energy: -66.523
tors. eta vs tors. theta energy: -114.446
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: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2641.694768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.694768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.179311 (E_RNA)
where:
Base-Base interactions energy: -1796.363
where: short stacking energy: -788.834
Base-Backbone interact. energy: -5.208
local terms energy: -841.608190
where:
bonds (distance) C4'-P energy: -176.325
bonds (distance) P-C4' energy: -166.113
flat angles C4'-P-C4' energy: -172.294
flat angles P-C4'-P energy: -121.895
tors. eta vs tors. theta energy: -204.981
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2407.775326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.775326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.034330 (E_RNA)
where:
Base-Base interactions energy: -1626.272
where: short stacking energy: -715.683
Base-Backbone interact. energy: 0.910
local terms energy: -796.672147
where:
bonds (distance) C4'-P energy: -166.990
bonds (distance) P-C4' energy: -158.885
flat angles C4'-P-C4' energy: -162.113
flat angles P-C4'-P energy: -111.963
tors. eta vs tors. theta energy: -196.721
Dist. restrs. and SS energy: 14.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2353.405750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.405750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.375093 (E_RNA)
where:
Base-Base interactions energy: -1573.037
where: short stacking energy: -694.456
Base-Backbone interact. energy: -0.469
local terms energy: -786.869734
where:
bonds (distance) C4'-P energy: -150.369
bonds (distance) P-C4' energy: -167.072
flat angles C4'-P-C4' energy: -172.616
flat angles P-C4'-P energy: -100.273
tors. eta vs tors. theta energy: -196.540
Dist. restrs. and SS energy: 6.969 (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: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2272.151166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.151166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.625188 (E_RNA)
where:
Base-Base interactions energy: -1538.961
where: short stacking energy: -672.052
Base-Backbone interact. energy: -3.742
local terms energy: -732.922495
where:
bonds (distance) C4'-P energy: -145.138
bonds (distance) P-C4' energy: -152.443
flat angles C4'-P-C4' energy: -163.141
flat angles P-C4'-P energy: -99.524
tors. eta vs tors. theta energy: -172.676
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: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2232.504432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.504432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.253132 (E_RNA)
where:
Base-Base interactions energy: -1491.277
where: short stacking energy: -646.675
Base-Backbone interact. energy: 0.882
local terms energy: -743.857888
where:
bonds (distance) C4'-P energy: -143.730
bonds (distance) P-C4' energy: -160.419
flat angles C4'-P-C4' energy: -155.999
flat angles P-C4'-P energy: -99.759
tors. eta vs tors. theta energy: -183.951
Dist. restrs. and SS energy: 1.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1975.931999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.931999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.492821 (E_RNA)
where:
Base-Base interactions energy: -1335.252
where: short stacking energy: -598.591
Base-Backbone interact. energy: -1.400
local terms energy: -654.840250
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -138.007
flat angles C4'-P-C4' energy: -156.676
flat angles P-C4'-P energy: -71.292
tors. eta vs tors. theta energy: -146.771
Dist. restrs. and SS energy: 15.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2050.925121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.925121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.702135 (E_RNA)
where:
Base-Base interactions energy: -1392.876
where: short stacking energy: -596.947
Base-Backbone interact. energy: -0.757
local terms energy: -659.069693
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -129.787
flat angles C4'-P-C4' energy: -143.125
flat angles P-C4'-P energy: -92.914
tors. eta vs tors. theta energy: -150.852
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1838.750500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.750500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.935924 (E_RNA)
where:
Base-Base interactions energy: -1244.839
where: short stacking energy: -519.968
Base-Backbone interact. energy: 2.492
local terms energy: -606.588859
where:
bonds (distance) C4'-P energy: -143.759
bonds (distance) P-C4' energy: -149.122
flat angles C4'-P-C4' energy: -117.529
flat angles P-C4'-P energy: -73.508
tors. eta vs tors. theta energy: -122.670
Dist. restrs. and SS energy: 10.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1903.182244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.182244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.427568 (E_RNA)
where:
Base-Base interactions energy: -1332.043
where: short stacking energy: -540.002
Base-Backbone interact. energy: 2.174
local terms energy: -575.558058
where:
bonds (distance) C4'-P energy: -98.063
bonds (distance) P-C4' energy: -127.230
flat angles C4'-P-C4' energy: -140.771
flat angles P-C4'-P energy: -87.819
tors. eta vs tors. theta energy: -121.674
Dist. restrs. and SS energy: 2.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1740.785811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.785811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.142244 (E_RNA)
where:
Base-Base interactions energy: -1196.763
where: short stacking energy: -478.979
Base-Backbone interact. energy: -0.449
local terms energy: -555.930863
where:
bonds (distance) C4'-P energy: -114.310
bonds (distance) P-C4' energy: -125.192
flat angles C4'-P-C4' energy: -117.084
flat angles P-C4'-P energy: -88.914
tors. eta vs tors. theta energy: -110.431
Dist. restrs. and SS energy: 12.356 (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: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2620.763821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.763821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.910479 (E_RNA)
where:
Base-Base interactions energy: -1767.323
where: short stacking energy: -789.878
Base-Backbone interact. energy: -0.074
local terms energy: -855.513167
where:
bonds (distance) C4'-P energy: -163.969
bonds (distance) P-C4' energy: -154.930
flat angles C4'-P-C4' energy: -196.790
flat angles P-C4'-P energy: -119.044
tors. eta vs tors. theta energy: -220.780
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2413.847061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.847061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.353322 (E_RNA)
where:
Base-Base interactions energy: -1649.863
where: short stacking energy: -709.057
Base-Backbone interact. energy: -2.503
local terms energy: -772.987347
where:
bonds (distance) C4'-P energy: -142.479
bonds (distance) P-C4' energy: -155.017
flat angles C4'-P-C4' energy: -170.294
flat angles P-C4'-P energy: -108.708
tors. eta vs tors. theta energy: -196.490
Dist. restrs. and SS energy: 11.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -2363.871928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.871928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.953198 (E_RNA)
where:
Base-Base interactions energy: -1571.520
where: short stacking energy: -712.447
Base-Backbone interact. energy: -2.908
local terms energy: -796.525387
where:
bonds (distance) C4'-P energy: -157.613
bonds (distance) P-C4' energy: -143.048
flat angles C4'-P-C4' energy: -183.714
flat angles P-C4'-P energy: -123.349
tors. eta vs tors. theta energy: -188.801
Dist. restrs. and SS energy: 7.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2268.837471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.837471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.204814 (E_RNA)
where:
Base-Base interactions energy: -1515.802
where: short stacking energy: -654.358
Base-Backbone interact. energy: -0.892
local terms energy: -755.510756
where:
bonds (distance) C4'-P energy: -154.983
bonds (distance) P-C4' energy: -146.722
flat angles C4'-P-C4' energy: -159.667
flat angles P-C4'-P energy: -118.356
tors. eta vs tors. theta energy: -175.783
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2273.180897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.180897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.578406 (E_RNA)
where:
Base-Base interactions energy: -1533.761
where: short stacking energy: -709.779
Base-Backbone interact. energy: 1.269
local terms energy: -742.086946
where:
bonds (distance) C4'-P energy: -152.526
bonds (distance) P-C4' energy: -146.178
flat angles C4'-P-C4' energy: -155.629
flat angles P-C4'-P energy: -107.779
tors. eta vs tors. theta energy: -179.975
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2133.086746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.086746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.857732 (E_RNA)
where:
Base-Base interactions energy: -1437.177
where: short stacking energy: -618.560
Base-Backbone interact. energy: 0.067
local terms energy: -697.747621
where:
bonds (distance) C4'-P energy: -117.285
bonds (distance) P-C4' energy: -152.898
flat angles C4'-P-C4' energy: -154.936
flat angles P-C4'-P energy: -101.700
tors. eta vs tors. theta energy: -170.929
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1871.104615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.104615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.833632 (E_RNA)
where:
Base-Base interactions energy: -1254.592
where: short stacking energy: -538.074
Base-Backbone interact. energy: 3.022
local terms energy: -635.263792
where:
bonds (distance) C4'-P energy: -146.241
bonds (distance) P-C4' energy: -126.327
flat angles C4'-P-C4' energy: -141.701
flat angles P-C4'-P energy: -96.386
tors. eta vs tors. theta energy: -124.609
Dist. restrs. and SS energy: 15.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1951.203167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.203167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.174580 (E_RNA)
where:
Base-Base interactions energy: -1297.257
where: short stacking energy: -558.813
Base-Backbone interact. energy: 4.214
local terms energy: -667.132224
where:
bonds (distance) C4'-P energy: -147.063
bonds (distance) P-C4' energy: -128.188
flat angles C4'-P-C4' energy: -153.934
flat angles P-C4'-P energy: -90.972
tors. eta vs tors. theta energy: -146.975
Dist. restrs. and SS energy: 8.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1830.015592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.015592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.821774 (E_RNA)
where:
Base-Base interactions energy: -1262.430
where: short stacking energy: -535.401
Base-Backbone interact. energy: 8.559
local terms energy: -582.950829
where:
bonds (distance) C4'-P energy: -111.653
bonds (distance) P-C4' energy: -131.073
flat angles C4'-P-C4' energy: -134.964
flat angles P-C4'-P energy: -93.820
tors. eta vs tors. theta energy: -111.441
Dist. restrs. and SS energy: 6.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1739.687677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.687677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.762214 (E_RNA)
where:
Base-Base interactions energy: -1188.288
where: short stacking energy: -504.679
Base-Backbone interact. energy: -2.934
local terms energy: -553.540061
where:
bonds (distance) C4'-P energy: -125.946
bonds (distance) P-C4' energy: -100.456
flat angles C4'-P-C4' energy: -147.439
flat angles P-C4'-P energy: -71.167
tors. eta vs tors. theta energy: -108.532
Dist. restrs. and SS energy: 5.075 (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: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2616.427744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.284659 (E_RNA)
where:
Base-Base interactions energy: -1779.319
where: short stacking energy: -783.642
Base-Backbone interact. energy: -2.859
local terms energy: -837.106300
where:
bonds (distance) C4'-P energy: -166.694
bonds (distance) P-C4' energy: -145.277
flat angles C4'-P-C4' energy: -184.271
flat angles P-C4'-P energy: -119.020
tors. eta vs tors. theta energy: -221.845
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2453.689244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.689244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.633121 (E_RNA)
where:
Base-Base interactions energy: -1658.646
where: short stacking energy: -726.103
Base-Backbone interact. energy: -2.682
local terms energy: -804.305050
where:
bonds (distance) C4'-P energy: -154.105
bonds (distance) P-C4' energy: -153.836
flat angles C4'-P-C4' energy: -176.996
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -209.102
Dist. restrs. and SS energy: 11.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -2420.229579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.229579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.904734 (E_RNA)
where:
Base-Base interactions energy: -1619.311
where: short stacking energy: -722.814
Base-Backbone interact. energy: -2.476
local terms energy: -800.118521
where:
bonds (distance) C4'-P energy: -150.543
bonds (distance) P-C4' energy: -162.763
flat angles C4'-P-C4' energy: -172.428
flat angles P-C4'-P energy: -112.352
tors. eta vs tors. theta energy: -202.031
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: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2283.641118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.641118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.575057 (E_RNA)
where:
Base-Base interactions energy: -1518.022
where: short stacking energy: -670.034
Base-Backbone interact. energy: -5.362
local terms energy: -762.191088
where:
bonds (distance) C4'-P energy: -172.746
bonds (distance) P-C4' energy: -153.352
flat angles C4'-P-C4' energy: -163.511
flat angles P-C4'-P energy: -108.731
tors. eta vs tors. theta energy: -163.851
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2214.128134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.128134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.630415 (E_RNA)
where:
Base-Base interactions energy: -1519.496
where: short stacking energy: -643.585
Base-Backbone interact. energy: -2.814
local terms energy: -696.319829
where:
bonds (distance) C4'-P energy: -126.524
bonds (distance) P-C4' energy: -153.779
flat angles C4'-P-C4' energy: -138.176
flat angles P-C4'-P energy: -107.203
tors. eta vs tors. theta energy: -170.638
Dist. restrs. and SS energy: 4.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2199.141276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.141276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.780268 (E_RNA)
where:
Base-Base interactions energy: -1470.011
where: short stacking energy: -601.891
Base-Backbone interact. energy: -1.116
local terms energy: -730.652662
where:
bonds (distance) C4'-P energy: -148.284
bonds (distance) P-C4' energy: -161.587
flat angles C4'-P-C4' energy: -152.218
flat angles P-C4'-P energy: -95.603
tors. eta vs tors. theta energy: -172.961
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: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2070.832401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.832401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.656921 (E_RNA)
where:
Base-Base interactions energy: -1408.424
where: short stacking energy: -595.329
Base-Backbone interact. energy: -0.927
local terms energy: -663.305747
where:
bonds (distance) C4'-P energy: -149.363
bonds (distance) P-C4' energy: -132.770
flat angles C4'-P-C4' energy: -150.450
flat angles P-C4'-P energy: -92.241
tors. eta vs tors. theta energy: -138.481
Dist. restrs. and SS energy: 1.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1849.372905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.372905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.964700 (E_RNA)
where:
Base-Base interactions energy: -1285.797
where: short stacking energy: -554.249
Base-Backbone interact. energy: 2.939
local terms energy: -581.106416
where:
bonds (distance) C4'-P energy: -128.798
bonds (distance) P-C4' energy: -132.179
flat angles C4'-P-C4' energy: -134.078
flat angles P-C4'-P energy: -61.308
tors. eta vs tors. theta energy: -124.743
Dist. restrs. and SS energy: 14.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1801.202061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.202061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.737437 (E_RNA)
where:
Base-Base interactions energy: -1232.485
where: short stacking energy: -513.268
Base-Backbone interact. energy: -0.200
local terms energy: -586.051651
where:
bonds (distance) C4'-P energy: -120.320
bonds (distance) P-C4' energy: -113.524
flat angles C4'-P-C4' energy: -144.687
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -118.032
Dist. restrs. and SS energy: 17.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1804.822439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.822439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.584077 (E_RNA)
where:
Base-Base interactions energy: -1250.757
where: short stacking energy: -499.641
Base-Backbone interact. energy: 1.181
local terms energy: -562.008179
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -119.398
flat angles C4'-P-C4' energy: -138.056
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -131.347
Dist. restrs. and SS energy: 6.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2662.863791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.863791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.576783 (E_RNA)
where:
Base-Base interactions energy: -1819.727
where: short stacking energy: -797.027
Base-Backbone interact. energy: -2.756
local terms energy: -843.093043
where:
bonds (distance) C4'-P energy: -154.745
bonds (distance) P-C4' energy: -161.916
flat angles C4'-P-C4' energy: -181.379
flat angles P-C4'-P energy: -126.306
tors. eta vs tors. theta energy: -218.747
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2468.510406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.510406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.444309 (E_RNA)
where:
Base-Base interactions energy: -1657.462
where: short stacking energy: -733.404
Base-Backbone interact. energy: -4.049
local terms energy: -820.932652
where:
bonds (distance) C4'-P energy: -160.864
bonds (distance) P-C4' energy: -172.143
flat angles C4'-P-C4' energy: -181.330
flat angles P-C4'-P energy: -107.167
tors. eta vs tors. theta energy: -199.429
Dist. restrs. and SS energy: 13.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2466.494651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.494651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.259227 (E_RNA)
where:
Base-Base interactions energy: -1659.970
where: short stacking energy: -736.446
Base-Backbone interact. energy: -1.277
local terms energy: -808.012054
where:
bonds (distance) C4'-P energy: -169.878
bonds (distance) P-C4' energy: -154.394
flat angles C4'-P-C4' energy: -172.789
flat angles P-C4'-P energy: -100.898
tors. eta vs tors. theta energy: -210.053
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2301.119707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.119707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.667931 (E_RNA)
where:
Base-Base interactions energy: -1559.559
where: short stacking energy: -678.126
Base-Backbone interact. energy: -3.762
local terms energy: -740.347064
where:
bonds (distance) C4'-P energy: -139.407
bonds (distance) P-C4' energy: -152.125
flat angles C4'-P-C4' energy: -160.332
flat angles P-C4'-P energy: -106.272
tors. eta vs tors. theta energy: -182.211
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2263.338044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.338044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.227006 (E_RNA)
where:
Base-Base interactions energy: -1545.130
where: short stacking energy: -669.598
Base-Backbone interact. energy: 2.676
local terms energy: -723.773585
where:
bonds (distance) C4'-P energy: -145.073
bonds (distance) P-C4' energy: -143.053
flat angles C4'-P-C4' energy: -155.728
flat angles P-C4'-P energy: -96.577
tors. eta vs tors. theta energy: -183.342
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: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -2182.994578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.994578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.315822 (E_RNA)
where:
Base-Base interactions energy: -1461.030
where: short stacking energy: -638.697
Base-Backbone interact. energy: -0.342
local terms energy: -723.943594
where:
bonds (distance) C4'-P energy: -124.921
bonds (distance) P-C4' energy: -165.684
flat angles C4'-P-C4' energy: -159.523
flat angles P-C4'-P energy: -93.597
tors. eta vs tors. theta energy: -180.218
Dist. restrs. and SS energy: 2.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2064.230388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.230388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.738799 (E_RNA)
where:
Base-Base interactions energy: -1383.429
where: short stacking energy: -599.684
Base-Backbone interact. energy: -0.407
local terms energy: -684.902687
where:
bonds (distance) C4'-P energy: -126.959
bonds (distance) P-C4' energy: -130.651
flat angles C4'-P-C4' energy: -173.241
flat angles P-C4'-P energy: -108.141
tors. eta vs tors. theta energy: -145.910
Dist. restrs. and SS energy: 4.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1890.084318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.084318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.662119 (E_RNA)
where:
Base-Base interactions energy: -1305.784
where: short stacking energy: -540.143
Base-Backbone interact. energy: 4.131
local terms energy: -596.009268
where:
bonds (distance) C4'-P energy: -126.963
bonds (distance) P-C4' energy: -127.830
flat angles C4'-P-C4' energy: -132.633
flat angles P-C4'-P energy: -79.022
tors. eta vs tors. theta energy: -129.562
Dist. restrs. and SS energy: 7.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1758.801525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.801525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.933993 (E_RNA)
where:
Base-Base interactions energy: -1179.783
where: short stacking energy: -527.370
Base-Backbone interact. energy: 3.119
local terms energy: -601.269688
where:
bonds (distance) C4'-P energy: -121.795
bonds (distance) P-C4' energy: -128.057
flat angles C4'-P-C4' energy: -137.918
flat angles P-C4'-P energy: -79.003
tors. eta vs tors. theta energy: -134.497
Dist. restrs. and SS energy: 19.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1769.635688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.786152 (E_RNA)
where:
Base-Base interactions energy: -1192.515
where: short stacking energy: -501.469
Base-Backbone interact. energy: -2.579
local terms energy: -585.692645
where:
bonds (distance) C4'-P energy: -133.807
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -135.914
flat angles P-C4'-P energy: -85.506
tors. eta vs tors. theta energy: -111.504
Dist. restrs. and SS energy: 11.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2647.532606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.532606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.944396 (E_RNA)
where:
Base-Base interactions energy: -1776.950
where: short stacking energy: -780.795
Base-Backbone interact. energy: -1.975
local terms energy: -871.019773
where:
bonds (distance) C4'-P energy: -161.991
bonds (distance) P-C4' energy: -166.508
flat angles C4'-P-C4' energy: -186.726
flat angles P-C4'-P energy: -132.392
tors. eta vs tors. theta energy: -223.403
Dist. restrs. and SS energy: 2.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2484.841438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.841438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.317180 (E_RNA)
where:
Base-Base interactions energy: -1652.497
where: short stacking energy: -742.237
Base-Backbone interact. energy: -3.354
local terms energy: -843.465789
where:
bonds (distance) C4'-P energy: -148.516
bonds (distance) P-C4' energy: -172.013
flat angles C4'-P-C4' energy: -178.500
flat angles P-C4'-P energy: -120.588
tors. eta vs tors. theta energy: -223.848
Dist. restrs. and SS energy: 14.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2448.495697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.495697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.022274 (E_RNA)
where:
Base-Base interactions energy: -1648.696
where: short stacking energy: -743.746
Base-Backbone interact. energy: -3.124
local terms energy: -799.201813
where:
bonds (distance) C4'-P energy: -161.279
bonds (distance) P-C4' energy: -151.330
flat angles C4'-P-C4' energy: -175.223
flat angles P-C4'-P energy: -97.979
tors. eta vs tors. theta energy: -213.390
Dist. restrs. and SS energy: 2.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2335.623348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.623348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.002865 (E_RNA)
where:
Base-Base interactions energy: -1542.843
where: short stacking energy: -682.673
Base-Backbone interact. energy: -3.409
local terms energy: -791.750355
where:
bonds (distance) C4'-P energy: -156.499
bonds (distance) P-C4' energy: -158.920
flat angles C4'-P-C4' energy: -177.264
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -193.634
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2262.343364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.343364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.123143 (E_RNA)
where:
Base-Base interactions energy: -1543.526
where: short stacking energy: -645.537
Base-Backbone interact. energy: -1.655
local terms energy: -719.942753
where:
bonds (distance) C4'-P energy: -125.775
bonds (distance) P-C4' energy: -159.482
flat angles C4'-P-C4' energy: -170.606
flat angles P-C4'-P energy: -90.034
tors. eta vs tors. theta energy: -174.046
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: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2156.350198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.350198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.629690 (E_RNA)
where:
Base-Base interactions energy: -1438.357
where: short stacking energy: -621.764
Base-Backbone interact. energy: -0.979
local terms energy: -721.294473
where:
bonds (distance) C4'-P energy: -136.094
bonds (distance) P-C4' energy: -162.364
flat angles C4'-P-C4' energy: -152.024
flat angles P-C4'-P energy: -106.766
tors. eta vs tors. theta energy: -164.047
Dist. restrs. and SS energy: 4.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2069.805315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.805315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.291836 (E_RNA)
where:
Base-Base interactions energy: -1383.525
where: short stacking energy: -577.864
Base-Backbone interact. energy: 0.338
local terms energy: -689.104646
where:
bonds (distance) C4'-P energy: -142.367
bonds (distance) P-C4' energy: -146.626
flat angles C4'-P-C4' energy: -147.417
flat angles P-C4'-P energy: -101.822
tors. eta vs tors. theta energy: -150.873
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: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1928.407588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.407588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.735159 (E_RNA)
where:
Base-Base interactions energy: -1283.577
where: short stacking energy: -543.769
Base-Backbone interact. energy: -3.302
local terms energy: -649.856248
where:
bonds (distance) C4'-P energy: -139.928
bonds (distance) P-C4' energy: -150.865
flat angles C4'-P-C4' energy: -137.075
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -142.464
Dist. restrs. and SS energy: 8.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1888.004052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.004052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.627757 (E_RNA)
where:
Base-Base interactions energy: -1285.016
where: short stacking energy: -520.702
Base-Backbone interact. energy: -3.167
local terms energy: -601.444756
where:
bonds (distance) C4'-P energy: -128.689
bonds (distance) P-C4' energy: -122.415
flat angles C4'-P-C4' energy: -127.237
flat angles P-C4'-P energy: -95.643
tors. eta vs tors. theta energy: -127.462
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1754.609061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.609061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.397972 (E_RNA)
where:
Base-Base interactions energy: -1193.226
where: short stacking energy: -520.289
Base-Backbone interact. energy: 2.486
local terms energy: -575.658139
where:
bonds (distance) C4'-P energy: -101.548
bonds (distance) P-C4' energy: -126.609
flat angles C4'-P-C4' energy: -148.755
flat angles P-C4'-P energy: -70.449
tors. eta vs tors. theta energy: -128.296
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: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2619.467164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.984486 (E_RNA)
where:
Base-Base interactions energy: -1769.181
where: short stacking energy: -787.642
Base-Backbone interact. energy: -2.598
local terms energy: -849.205497
where:
bonds (distance) C4'-P energy: -160.677
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -196.593
flat angles P-C4'-P energy: -118.651
tors. eta vs tors. theta energy: -216.425
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2513.657718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.657718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.328920 (E_RNA)
where:
Base-Base interactions energy: -1695.153
where: short stacking energy: -767.951
Base-Backbone interact. energy: -4.776
local terms energy: -816.399935
where:
bonds (distance) C4'-P energy: -150.388
bonds (distance) P-C4' energy: -169.439
flat angles C4'-P-C4' energy: -169.666
flat angles P-C4'-P energy: -117.463
tors. eta vs tors. theta energy: -209.444
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: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2365.364714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.364714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.236148 (E_RNA)
where:
Base-Base interactions energy: -1553.093
where: short stacking energy: -666.591
Base-Backbone interact. energy: -4.808
local terms energy: -820.335330
where:
bonds (distance) C4'-P energy: -151.808
bonds (distance) P-C4' energy: -170.994
flat angles C4'-P-C4' energy: -174.264
flat angles P-C4'-P energy: -124.295
tors. eta vs tors. theta energy: -198.974
Dist. restrs. and SS energy: 12.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2395.521296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.521296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.526771 (E_RNA)
where:
Base-Base interactions energy: -1612.557
where: short stacking energy: -695.284
Base-Backbone interact. energy: -1.800
local terms energy: -785.169044
where:
bonds (distance) C4'-P energy: -152.388
bonds (distance) P-C4' energy: -148.658
flat angles C4'-P-C4' energy: -162.546
flat angles P-C4'-P energy: -112.627
tors. eta vs tors. theta energy: -208.949
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2247.875572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.875572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.068620 (E_RNA)
where:
Base-Base interactions energy: -1531.287
where: short stacking energy: -662.073
Base-Backbone interact. energy: -0.252
local terms energy: -719.529032
where:
bonds (distance) C4'-P energy: -143.303
bonds (distance) P-C4' energy: -141.685
flat angles C4'-P-C4' energy: -155.985
flat angles P-C4'-P energy: -94.059
tors. eta vs tors. theta energy: -184.498
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2200.954434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.954434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.231610 (E_RNA)
where:
Base-Base interactions energy: -1489.109
where: short stacking energy: -631.052
Base-Backbone interact. energy: -0.109
local terms energy: -714.013495
where:
bonds (distance) C4'-P energy: -139.928
bonds (distance) P-C4' energy: -135.681
flat angles C4'-P-C4' energy: -156.643
flat angles P-C4'-P energy: -104.577
tors. eta vs tors. theta energy: -177.184
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: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2086.787163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.787163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.116409 (E_RNA)
where:
Base-Base interactions energy: -1401.670
where: short stacking energy: -601.919
Base-Backbone interact. energy: -2.783
local terms energy: -685.662871
where:
bonds (distance) C4'-P energy: -113.372
bonds (distance) P-C4' energy: -138.190
flat angles C4'-P-C4' energy: -164.052
flat angles P-C4'-P energy: -103.580
tors. eta vs tors. theta energy: -166.468
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: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1944.302356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.302356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.000280 (E_RNA)
where:
Base-Base interactions energy: -1337.762
where: short stacking energy: -581.104
Base-Backbone interact. energy: 1.852
local terms energy: -616.089967
where:
bonds (distance) C4'-P energy: -111.808
bonds (distance) P-C4' energy: -136.693
flat angles C4'-P-C4' energy: -138.738
flat angles P-C4'-P energy: -89.922
tors. eta vs tors. theta energy: -138.929
Dist. restrs. and SS energy: 7.698 (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: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1941.259333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.259333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.175144 (E_RNA)
where:
Base-Base interactions energy: -1330.469
where: short stacking energy: -546.694
Base-Backbone interact. energy: -0.126
local terms energy: -613.580674
where:
bonds (distance) C4'-P energy: -107.538
bonds (distance) P-C4' energy: -133.664
flat angles C4'-P-C4' energy: -148.931
flat angles P-C4'-P energy: -78.775
tors. eta vs tors. theta energy: -144.672
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1732.205486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.205486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.554681 (E_RNA)
where:
Base-Base interactions energy: -1139.412
where: short stacking energy: -471.234
Base-Backbone interact. energy: 1.430
local terms energy: -602.572935
where:
bonds (distance) C4'-P energy: -132.191
bonds (distance) P-C4' energy: -129.722
flat angles C4'-P-C4' energy: -129.580
flat angles P-C4'-P energy: -75.948
tors. eta vs tors. theta energy: -135.133
Dist. restrs. and SS energy: 8.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2639.337481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.337481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.602797 (E_RNA)
where:
Base-Base interactions energy: -1789.105
where: short stacking energy: -794.639
Base-Backbone interact. energy: 0.025
local terms energy: -851.522805
where:
bonds (distance) C4'-P energy: -149.254
bonds (distance) P-C4' energy: -160.824
flat angles C4'-P-C4' energy: -186.598
flat angles P-C4'-P energy: -131.854
tors. eta vs tors. theta energy: -222.992
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2533.655369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.655369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.203282 (E_RNA)
where:
Base-Base interactions energy: -1710.560
where: short stacking energy: -803.231
Base-Backbone interact. energy: -4.705
local terms energy: -820.938453
where:
bonds (distance) C4'-P energy: -142.936
bonds (distance) P-C4' energy: -145.589
flat angles C4'-P-C4' energy: -172.828
flat angles P-C4'-P energy: -124.338
tors. eta vs tors. theta energy: -235.248
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2406.897123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.897123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.745799 (E_RNA)
where:
Base-Base interactions energy: -1620.668
where: short stacking energy: -697.087
Base-Backbone interact. energy: -2.816
local terms energy: -797.261967
where:
bonds (distance) C4'-P energy: -159.337
bonds (distance) P-C4' energy: -152.347
flat angles C4'-P-C4' energy: -181.618
flat angles P-C4'-P energy: -103.005
tors. eta vs tors. theta energy: -200.956
Dist. restrs. and SS energy: 13.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2386.570999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.570999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.569524 (E_RNA)
where:
Base-Base interactions energy: -1632.922
where: short stacking energy: -691.339
Base-Backbone interact. energy: 3.785
local terms energy: -758.432477
where:
bonds (distance) C4'-P energy: -147.725
bonds (distance) P-C4' energy: -152.676
flat angles C4'-P-C4' energy: -157.355
flat angles P-C4'-P energy: -107.882
tors. eta vs tors. theta energy: -192.795
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2240.418493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.418493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.246354 (E_RNA)
where:
Base-Base interactions energy: -1504.221
where: short stacking energy: -657.821
Base-Backbone interact. energy: 4.248
local terms energy: -742.273262
where:
bonds (distance) C4'-P energy: -137.405
bonds (distance) P-C4' energy: -174.564
flat angles C4'-P-C4' energy: -169.346
flat angles P-C4'-P energy: -101.493
tors. eta vs tors. theta energy: -159.465
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: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -2189.563914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.563914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.345534 (E_RNA)
where:
Base-Base interactions energy: -1490.636
where: short stacking energy: -601.724
Base-Backbone interact. energy: 2.956
local terms energy: -705.665231
where:
bonds (distance) C4'-P energy: -145.506
bonds (distance) P-C4' energy: -139.504
flat angles C4'-P-C4' energy: -155.799
flat angles P-C4'-P energy: -105.873
tors. eta vs tors. theta energy: -158.983
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: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2066.720811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.720811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.324979 (E_RNA)
where:
Base-Base interactions energy: -1389.810
where: short stacking energy: -605.244
Base-Backbone interact. energy: -1.387
local terms energy: -680.127894
where:
bonds (distance) C4'-P energy: -147.024
bonds (distance) P-C4' energy: -140.321
flat angles C4'-P-C4' energy: -146.166
flat angles P-C4'-P energy: -99.533
tors. eta vs tors. theta energy: -147.085
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: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -2016.711640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.711640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.472389 (E_RNA)
where:
Base-Base interactions energy: -1353.150
where: short stacking energy: -586.275
Base-Backbone interact. energy: -0.938
local terms energy: -665.384652
where:
bonds (distance) C4'-P energy: -113.157
bonds (distance) P-C4' energy: -125.911
flat angles C4'-P-C4' energy: -149.814
flat angles P-C4'-P energy: -112.157
tors. eta vs tors. theta energy: -164.346
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1916.349784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.349784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.827789 (E_RNA)
where:
Base-Base interactions energy: -1308.501
where: short stacking energy: -562.460
Base-Backbone interact. energy: -3.195
local terms energy: -606.132440
where:
bonds (distance) C4'-P energy: -120.920
bonds (distance) P-C4' energy: -122.053
flat angles C4'-P-C4' energy: -148.301
flat angles P-C4'-P energy: -75.517
tors. eta vs tors. theta energy: -139.341
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: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -1761.906249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.906249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.851216 (E_RNA)
where:
Base-Base interactions energy: -1179.254
where: short stacking energy: -503.062
Base-Backbone interact. energy: -2.551
local terms energy: -588.046216
where:
bonds (distance) C4'-P energy: -120.151
bonds (distance) P-C4' energy: -136.376
flat angles C4'-P-C4' energy: -126.368
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -127.287
Dist. restrs. and SS energy: 7.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2651.521658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.521658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.914985 (E_RNA)
where:
Base-Base interactions energy: -1792.254
where: short stacking energy: -769.371
Base-Backbone interact. energy: -0.466
local terms energy: -860.194334
where:
bonds (distance) C4'-P energy: -148.621
bonds (distance) P-C4' energy: -178.176
flat angles C4'-P-C4' energy: -183.391
flat angles P-C4'-P energy: -127.904
tors. eta vs tors. theta energy: -222.102
Dist. restrs. and SS energy: 1.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2530.575850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.575850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.205279 (E_RNA)
where:
Base-Base interactions energy: -1724.334
where: short stacking energy: -778.438
Base-Backbone interact. energy: -4.972
local terms energy: -804.898709
where:
bonds (distance) C4'-P energy: -167.328
bonds (distance) P-C4' energy: -132.169
flat angles C4'-P-C4' energy: -178.991
flat angles P-C4'-P energy: -114.116
tors. eta vs tors. theta energy: -212.295
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: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2412.821670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.821670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.730294 (E_RNA)
where:
Base-Base interactions energy: -1620.066
where: short stacking energy: -715.638
Base-Backbone interact. energy: 0.410
local terms energy: -804.074985
where:
bonds (distance) C4'-P energy: -160.011
bonds (distance) P-C4' energy: -155.026
flat angles C4'-P-C4' energy: -167.952
flat angles P-C4'-P energy: -117.417
tors. eta vs tors. theta energy: -203.670
Dist. restrs. and SS energy: 10.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2381.611934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.611934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.035505 (E_RNA)
where:
Base-Base interactions energy: -1594.289
where: short stacking energy: -735.098
Base-Backbone interact. energy: 3.178
local terms energy: -792.924744
where:
bonds (distance) C4'-P energy: -156.101
bonds (distance) P-C4' energy: -148.937
flat angles C4'-P-C4' energy: -181.533
flat angles P-C4'-P energy: -107.742
tors. eta vs tors. theta energy: -198.611
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: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2298.289201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.289201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.884401 (E_RNA)
where:
Base-Base interactions energy: -1553.299
where: short stacking energy: -687.042
Base-Backbone interact. energy: 1.641
local terms energy: -748.226559
where:
bonds (distance) C4'-P energy: -149.979
bonds (distance) P-C4' energy: -147.757
flat angles C4'-P-C4' energy: -148.682
flat angles P-C4'-P energy: -106.392
tors. eta vs tors. theta energy: -195.416
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2155.493133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.493133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.660405 (E_RNA)
where:
Base-Base interactions energy: -1436.429
where: short stacking energy: -616.260
Base-Backbone interact. energy: 0.071
local terms energy: -722.302201
where:
bonds (distance) C4'-P energy: -133.337
bonds (distance) P-C4' energy: -161.226
flat angles C4'-P-C4' energy: -147.137
flat angles P-C4'-P energy: -107.335
tors. eta vs tors. theta energy: -173.267
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -2022.061877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.061877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.365877 (E_RNA)
where:
Base-Base interactions energy: -1357.390
where: short stacking energy: -598.286
Base-Backbone interact. energy: 0.358
local terms energy: -672.333478
where:
bonds (distance) C4'-P energy: -130.716
bonds (distance) P-C4' energy: -152.509
flat angles C4'-P-C4' energy: -144.915
flat angles P-C4'-P energy: -86.976
tors. eta vs tors. theta energy: -157.218
Dist. restrs. and SS energy: 7.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -2005.697550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.697550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.045523 (E_RNA)
where:
Base-Base interactions energy: -1341.308
where: short stacking energy: -581.465
Base-Backbone interact. energy: -3.852
local terms energy: -663.885676
where:
bonds (distance) C4'-P energy: -143.413
bonds (distance) P-C4' energy: -121.766
flat angles C4'-P-C4' energy: -135.881
flat angles P-C4'-P energy: -103.282
tors. eta vs tors. theta energy: -159.544
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1954.517177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.517177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.142855 (E_RNA)
where:
Base-Base interactions energy: -1313.649
where: short stacking energy: -553.799
Base-Backbone interact. energy: 0.287
local terms energy: -646.781066
where:
bonds (distance) C4'-P energy: -109.947
bonds (distance) P-C4' energy: -138.455
flat angles C4'-P-C4' energy: -131.598
flat angles P-C4'-P energy: -118.093
tors. eta vs tors. theta energy: -148.688
Dist. restrs. and SS energy: 5.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -1800.984513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.984513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.053286 (E_RNA)
where:
Base-Base interactions energy: -1205.412
where: short stacking energy: -496.360
Base-Backbone interact. energy: 5.233
local terms energy: -604.874188
where:
bonds (distance) C4'-P energy: -128.962
bonds (distance) P-C4' energy: -138.381
flat angles C4'-P-C4' energy: -121.264
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: -133.307
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2654.143728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.143728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.871288 (E_RNA)
where:
Base-Base interactions energy: -1797.786
where: short stacking energy: -784.217
Base-Backbone interact. energy: -2.764
local terms energy: -855.321402
where:
bonds (distance) C4'-P energy: -164.551
bonds (distance) P-C4' energy: -155.744
flat angles C4'-P-C4' energy: -186.380
flat angles P-C4'-P energy: -120.831
tors. eta vs tors. theta energy: -227.816
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2550.674711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.674711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.599435 (E_RNA)
where:
Base-Base interactions energy: -1711.651
where: short stacking energy: -752.210
Base-Backbone interact. energy: -3.665
local terms energy: -839.284160
where:
bonds (distance) C4'-P energy: -161.341
bonds (distance) P-C4' energy: -166.464
flat angles C4'-P-C4' energy: -178.732
flat angles P-C4'-P energy: -122.078
tors. eta vs tors. theta energy: -210.671
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2453.790964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.790964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.737919 (E_RNA)
where:
Base-Base interactions energy: -1662.419
where: short stacking energy: -707.313
Base-Backbone interact. energy: -2.418
local terms energy: -800.900631
where:
bonds (distance) C4'-P energy: -147.758
bonds (distance) P-C4' energy: -162.949
flat angles C4'-P-C4' energy: -166.810
flat angles P-C4'-P energy: -125.327
tors. eta vs tors. theta energy: -198.056
Dist. restrs. and SS energy: 11.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2386.113434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.113434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.376863 (E_RNA)
where:
Base-Base interactions energy: -1600.563
where: short stacking energy: -681.476
Base-Backbone interact. energy: -2.868
local terms energy: -783.945895
where:
bonds (distance) C4'-P energy: -149.679
bonds (distance) P-C4' energy: -145.393
flat angles C4'-P-C4' energy: -177.074
flat angles P-C4'-P energy: -113.158
tors. eta vs tors. theta energy: -198.641
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2271.038736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.038736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.047839 (E_RNA)
where:
Base-Base interactions energy: -1544.723
where: short stacking energy: -668.145
Base-Backbone interact. energy: -2.739
local terms energy: -725.585838
where:
bonds (distance) C4'-P energy: -122.021
bonds (distance) P-C4' energy: -136.726
flat angles C4'-P-C4' energy: -188.010
flat angles P-C4'-P energy: -93.196
tors. eta vs tors. theta energy: -185.634
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: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2133.747513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.747513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.139761 (E_RNA)
where:
Base-Base interactions energy: -1445.040
where: short stacking energy: -639.029
Base-Backbone interact. energy: 1.574
local terms energy: -693.673660
where:
bonds (distance) C4'-P energy: -140.805
bonds (distance) P-C4' energy: -137.503
flat angles C4'-P-C4' energy: -156.663
flat angles P-C4'-P energy: -82.374
tors. eta vs tors. theta energy: -176.329
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: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -2074.161949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.161949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.541265 (E_RNA)
where:
Base-Base interactions energy: -1397.446
where: short stacking energy: -591.157
Base-Backbone interact. energy: -1.070
local terms energy: -679.024996
where:
bonds (distance) C4'-P energy: -121.849
bonds (distance) P-C4' energy: -141.662
flat angles C4'-P-C4' energy: -145.908
flat angles P-C4'-P energy: -115.391
tors. eta vs tors. theta energy: -154.215
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1936.435201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.435201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.139395 (E_RNA)
where:
Base-Base interactions energy: -1305.774
where: short stacking energy: -545.799
Base-Backbone interact. energy: -3.742
local terms energy: -632.623058
where:
bonds (distance) C4'-P energy: -123.767
bonds (distance) P-C4' energy: -139.862
flat angles C4'-P-C4' energy: -131.859
flat angles P-C4'-P energy: -91.115
tors. eta vs tors. theta energy: -146.020
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1894.588045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.588045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.416715 (E_RNA)
where:
Base-Base interactions energy: -1280.914
where: short stacking energy: -539.707
Base-Backbone interact. energy: 0.637
local terms energy: -618.140172
where:
bonds (distance) C4'-P energy: -130.961
bonds (distance) P-C4' energy: -109.199
flat angles C4'-P-C4' energy: -154.958
flat angles P-C4'-P energy: -76.080
tors. eta vs tors. theta energy: -146.943
Dist. restrs. and SS energy: 3.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1804.662366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.662366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.452697 (E_RNA)
where:
Base-Base interactions energy: -1216.993
where: short stacking energy: -499.999
Base-Backbone interact. energy: -2.624
local terms energy: -588.835178
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -124.171
flat angles C4'-P-C4' energy: -156.842
flat angles P-C4'-P energy: -85.004
tors. eta vs tors. theta energy: -127.095
Dist. restrs. and SS energy: 3.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2652.746990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.424405 (E_RNA)
where:
Base-Base interactions energy: -1815.920
where: short stacking energy: -826.384
Base-Backbone interact. energy: -0.615
local terms energy: -837.890210
where:
bonds (distance) C4'-P energy: -166.413
bonds (distance) P-C4' energy: -151.781
flat angles C4'-P-C4' energy: -173.545
flat angles P-C4'-P energy: -120.295
tors. eta vs tors. theta energy: -225.856
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2550.041009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.041009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.964654 (E_RNA)
where:
Base-Base interactions energy: -1718.830
where: short stacking energy: -747.904
Base-Backbone interact. energy: -3.401
local terms energy: -830.733545
where:
bonds (distance) C4'-P energy: -164.273
bonds (distance) P-C4' energy: -163.578
flat angles C4'-P-C4' energy: -180.554
flat angles P-C4'-P energy: -115.492
tors. eta vs tors. theta energy: -206.837
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: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2414.505081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.505081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.240988 (E_RNA)
where:
Base-Base interactions energy: -1641.499
where: short stacking energy: -713.259
Base-Backbone interact. energy: -0.557
local terms energy: -783.185279
where:
bonds (distance) C4'-P energy: -150.755
bonds (distance) P-C4' energy: -160.989
flat angles C4'-P-C4' energy: -162.832
flat angles P-C4'-P energy: -102.452
tors. eta vs tors. theta energy: -206.158
Dist. restrs. and SS energy: 10.736 (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: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2405.793801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.793801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.963675 (E_RNA)
where:
Base-Base interactions energy: -1597.813
where: short stacking energy: -692.013
Base-Backbone interact. energy: -4.135
local terms energy: -806.016403
where:
bonds (distance) C4'-P energy: -148.231
bonds (distance) P-C4' energy: -161.514
flat angles C4'-P-C4' energy: -187.320
flat angles P-C4'-P energy: -115.534
tors. eta vs tors. theta energy: -193.418
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2320.357920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.357920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.161640 (E_RNA)
where:
Base-Base interactions energy: -1548.151
where: short stacking energy: -687.451
Base-Backbone interact. energy: -0.466
local terms energy: -773.545092
where:
bonds (distance) C4'-P energy: -136.662
bonds (distance) P-C4' energy: -155.244
flat angles C4'-P-C4' energy: -174.480
flat angles P-C4'-P energy: -109.874
tors. eta vs tors. theta energy: -197.285
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: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2167.223674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.223674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.717993 (E_RNA)
where:
Base-Base interactions energy: -1466.737
where: short stacking energy: -625.006
Base-Backbone interact. energy: -0.893
local terms energy: -701.087985
where:
bonds (distance) C4'-P energy: -140.099
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -157.347
flat angles P-C4'-P energy: -122.651
tors. eta vs tors. theta energy: -160.458
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -2037.187016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.187016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.312899 (E_RNA)
where:
Base-Base interactions energy: -1391.058
where: short stacking energy: -588.774
Base-Backbone interact. energy: -4.160
local terms energy: -646.095529
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -134.080
flat angles C4'-P-C4' energy: -143.736
flat angles P-C4'-P energy: -89.034
tors. eta vs tors. theta energy: -150.905
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: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1971.551218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.551218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.352449 (E_RNA)
where:
Base-Base interactions energy: -1293.428
where: short stacking energy: -544.016
Base-Backbone interact. energy: 1.250
local terms energy: -686.174569
where:
bonds (distance) C4'-P energy: -144.877
bonds (distance) P-C4' energy: -146.432
flat angles C4'-P-C4' energy: -155.469
flat angles P-C4'-P energy: -96.130
tors. eta vs tors. theta energy: -143.266
Dist. restrs. and SS energy: 6.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1889.226926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.226926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.287457 (E_RNA)
where:
Base-Base interactions energy: -1276.477
where: short stacking energy: -524.129
Base-Backbone interact. energy: -2.745
local terms energy: -617.065682
where:
bonds (distance) C4'-P energy: -110.252
bonds (distance) P-C4' energy: -153.192
flat angles C4'-P-C4' energy: -140.479
flat angles P-C4'-P energy: -98.081
tors. eta vs tors. theta energy: -115.061
Dist. restrs. and SS energy: 7.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1862.294157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.294157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.358621 (E_RNA)
where:
Base-Base interactions energy: -1278.770
where: short stacking energy: -532.749
Base-Backbone interact. energy: 5.408
local terms energy: -593.996608
where:
bonds (distance) C4'-P energy: -119.171
bonds (distance) P-C4' energy: -127.790
flat angles C4'-P-C4' energy: -138.482
flat angles P-C4'-P energy: -78.025
tors. eta vs tors. theta energy: -130.528
Dist. restrs. and SS energy: 5.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2672.738949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.738949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.225871 (E_RNA)
where:
Base-Base interactions energy: -1823.840
where: short stacking energy: -805.493
Base-Backbone interact. energy: -2.031
local terms energy: -848.354052
where:
bonds (distance) C4'-P energy: -171.289
bonds (distance) P-C4' energy: -157.945
flat angles C4'-P-C4' energy: -176.338
flat angles P-C4'-P energy: -118.699
tors. eta vs tors. theta energy: -224.083
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2582.733873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.733873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.462377 (E_RNA)
where:
Base-Base interactions energy: -1770.242
where: short stacking energy: -792.103
Base-Backbone interact. energy: -2.585
local terms energy: -812.635287
where:
bonds (distance) C4'-P energy: -158.237
bonds (distance) P-C4' energy: -137.094
flat angles C4'-P-C4' energy: -187.914
flat angles P-C4'-P energy: -112.816
tors. eta vs tors. theta energy: -216.574
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2451.445500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.399752 (E_RNA)
where:
Base-Base interactions energy: -1673.639
where: short stacking energy: -709.454
Base-Backbone interact. energy: -0.881
local terms energy: -785.879614
where:
bonds (distance) C4'-P energy: -146.229
bonds (distance) P-C4' energy: -155.903
flat angles C4'-P-C4' energy: -156.533
flat angles P-C4'-P energy: -119.851
tors. eta vs tors. theta energy: -207.364
Dist. restrs. and SS energy: 8.954 (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: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2398.289513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.289513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.792590 (E_RNA)
where:
Base-Base interactions energy: -1606.438
where: short stacking energy: -687.128
Base-Backbone interact. energy: -1.971
local terms energy: -791.383164
where:
bonds (distance) C4'-P energy: -155.872
bonds (distance) P-C4' energy: -169.622
flat angles C4'-P-C4' energy: -174.753
flat angles P-C4'-P energy: -105.829
tors. eta vs tors. theta energy: -185.308
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -2255.828018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.828018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.290597 (E_RNA)
where:
Base-Base interactions energy: -1525.781
where: short stacking energy: -640.584
Base-Backbone interact. energy: -2.484
local terms energy: -730.026001
where:
bonds (distance) C4'-P energy: -140.264
bonds (distance) P-C4' energy: -149.996
flat angles C4'-P-C4' energy: -150.242
flat angles P-C4'-P energy: -100.517
tors. eta vs tors. theta energy: -189.008
Dist. restrs. and SS energy: 2.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2165.436358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.436358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.212070 (E_RNA)
where:
Base-Base interactions energy: -1470.863
where: short stacking energy: -634.720
Base-Backbone interact. energy: 0.154
local terms energy: -696.503268
where:
bonds (distance) C4'-P energy: -140.215
bonds (distance) P-C4' energy: -126.526
flat angles C4'-P-C4' energy: -156.490
flat angles P-C4'-P energy: -105.629
tors. eta vs tors. theta energy: -167.644
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2092.801855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.801855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.417945 (E_RNA)
where:
Base-Base interactions energy: -1400.975
where: short stacking energy: -607.438
Base-Backbone interact. energy: -0.102
local terms energy: -695.340860
where:
bonds (distance) C4'-P energy: -144.207
bonds (distance) P-C4' energy: -141.348
flat angles C4'-P-C4' energy: -150.910
flat angles P-C4'-P energy: -99.329
tors. eta vs tors. theta energy: -159.547
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: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1926.226073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.226073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.045137 (E_RNA)
where:
Base-Base interactions energy: -1277.528
where: short stacking energy: -566.722
Base-Backbone interact. energy: 1.376
local terms energy: -659.893032
where:
bonds (distance) C4'-P energy: -140.539
bonds (distance) P-C4' energy: -134.516
flat angles C4'-P-C4' energy: -157.627
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -139.834
Dist. restrs. and SS energy: 9.819 (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: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1902.101822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.101822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.827300 (E_RNA)
where:
Base-Base interactions energy: -1302.503
where: short stacking energy: -547.079
Base-Backbone interact. energy: -0.592
local terms energy: -602.731913
where:
bonds (distance) C4'-P energy: -116.299
bonds (distance) P-C4' energy: -141.009
flat angles C4'-P-C4' energy: -139.882
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -123.496
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: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1735.893564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.893564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.008150 (E_RNA)
where:
Base-Base interactions energy: -1191.644
where: short stacking energy: -513.159
Base-Backbone interact. energy: -1.961
local terms energy: -547.402467
where:
bonds (distance) C4'-P energy: -115.395
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -120.651
flat angles P-C4'-P energy: -78.856
tors. eta vs tors. theta energy: -120.254
Dist. restrs. and SS energy: 5.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2678.455238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.455238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.697403 (E_RNA)
where:
Base-Base interactions energy: -1827.421
where: short stacking energy: -797.258
Base-Backbone interact. energy: -3.450
local terms energy: -848.826164
where:
bonds (distance) C4'-P energy: -157.216
bonds (distance) P-C4' energy: -166.819
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -117.985
tors. eta vs tors. theta energy: -231.351
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2588.913618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.913618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.676987 (E_RNA)
where:
Base-Base interactions energy: -1751.810
where: short stacking energy: -776.462
Base-Backbone interact. energy: -2.538
local terms energy: -837.329181
where:
bonds (distance) C4'-P energy: -159.551
bonds (distance) P-C4' energy: -169.080
flat angles C4'-P-C4' energy: -178.553
flat angles P-C4'-P energy: -124.293
tors. eta vs tors. theta energy: -205.852
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2455.624408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.624408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.686091 (E_RNA)
where:
Base-Base interactions energy: -1646.205
where: short stacking energy: -735.912
Base-Backbone interact. energy: -1.873
local terms energy: -817.607937
where:
bonds (distance) C4'-P energy: -152.419
bonds (distance) P-C4' energy: -153.143
flat angles C4'-P-C4' energy: -172.233
flat angles P-C4'-P energy: -121.347
tors. eta vs tors. theta energy: -218.465
Dist. restrs. and SS energy: 10.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2378.971121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.971121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.604048 (E_RNA)
where:
Base-Base interactions energy: -1623.251
where: short stacking energy: -675.684
Base-Backbone interact. energy: -4.111
local terms energy: -753.242593
where:
bonds (distance) C4'-P energy: -124.123
bonds (distance) P-C4' energy: -145.128
flat angles C4'-P-C4' energy: -176.815
flat angles P-C4'-P energy: -110.660
tors. eta vs tors. theta energy: -196.517
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: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2316.537394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.537394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.780325 (E_RNA)
where:
Base-Base interactions energy: -1555.828
where: short stacking energy: -685.550
Base-Backbone interact. energy: -2.085
local terms energy: -761.867526
where:
bonds (distance) C4'-P energy: -144.399
bonds (distance) P-C4' energy: -152.356
flat angles C4'-P-C4' energy: -168.290
flat angles P-C4'-P energy: -109.626
tors. eta vs tors. theta energy: -187.196
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: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2142.735340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.735340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.949356 (E_RNA)
where:
Base-Base interactions energy: -1422.373
where: short stacking energy: -613.236
Base-Backbone interact. energy: 0.600
local terms energy: -723.175730
where:
bonds (distance) C4'-P energy: -135.002
bonds (distance) P-C4' energy: -146.318
flat angles C4'-P-C4' energy: -148.316
flat angles P-C4'-P energy: -119.942
tors. eta vs tors. theta energy: -173.597
Dist. restrs. and SS energy: 2.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2130.581235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.581235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.848227 (E_RNA)
where:
Base-Base interactions energy: -1422.686
where: short stacking energy: -610.426
Base-Backbone interact. energy: -3.022
local terms energy: -706.140299
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -153.588
flat angles C4'-P-C4' energy: -165.800
flat angles P-C4'-P energy: -90.100
tors. eta vs tors. theta energy: -166.117
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: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1990.277092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.277092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.873536 (E_RNA)
where:
Base-Base interactions energy: -1370.430
where: short stacking energy: -573.396
Base-Backbone interact. energy: 0.387
local terms energy: -628.830822
where:
bonds (distance) C4'-P energy: -146.171
bonds (distance) P-C4' energy: -113.540
flat angles C4'-P-C4' energy: -142.541
flat angles P-C4'-P energy: -83.192
tors. eta vs tors. theta energy: -143.388
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: 9, replica: 1
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1874.430152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.430152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.185619 (E_RNA)
where:
Base-Base interactions energy: -1293.481
where: short stacking energy: -542.499
Base-Backbone interact. energy: 11.143
local terms energy: -600.847288
where:
bonds (distance) C4'-P energy: -137.455
bonds (distance) P-C4' energy: -117.683
flat angles C4'-P-C4' energy: -141.032
flat angles P-C4'-P energy: -85.847
tors. eta vs tors. theta energy: -118.830
Dist. restrs. and SS energy: 8.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -1775.116915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.116915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.106112 (E_RNA)
where:
Base-Base interactions energy: -1213.576
where: short stacking energy: -501.562
Base-Backbone interact. energy: 0.884
local terms energy: -566.413626
where:
bonds (distance) C4'-P energy: -116.580
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -130.127
flat angles P-C4'-P energy: -87.861
tors. eta vs tors. theta energy: -127.093
Dist. restrs. and SS energy: 3.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2700.815095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.815095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.661927 (E_RNA)
where:
Base-Base interactions energy: -1838.934
where: short stacking energy: -812.594
Base-Backbone interact. energy: -1.607
local terms energy: -862.121788
where:
bonds (distance) C4'-P energy: -158.227
bonds (distance) P-C4' energy: -172.802
flat angles C4'-P-C4' energy: -186.923
flat angles P-C4'-P energy: -120.963
tors. eta vs tors. theta energy: -223.208
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2557.379663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.379663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.313554 (E_RNA)
where:
Base-Base interactions energy: -1727.225
where: short stacking energy: -755.127
Base-Backbone interact. energy: -2.779
local terms energy: -829.309726
where:
bonds (distance) C4'-P energy: -153.034
bonds (distance) P-C4' energy: -160.303
flat angles C4'-P-C4' energy: -181.380
flat angles P-C4'-P energy: -120.430
tors. eta vs tors. theta energy: -214.162
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2431.770549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.770549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.234753 (E_RNA)
where:
Base-Base interactions energy: -1651.861
where: short stacking energy: -715.821
Base-Backbone interact. energy: 3.387
local terms energy: -794.760661
where:
bonds (distance) C4'-P energy: -162.702
bonds (distance) P-C4' energy: -167.407
flat angles C4'-P-C4' energy: -153.174
flat angles P-C4'-P energy: -101.220
tors. eta vs tors. theta energy: -210.258
Dist. restrs. and SS energy: 11.464 (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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -2438.688142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.688142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.671913 (E_RNA)
where:
Base-Base interactions energy: -1630.159
where: short stacking energy: -689.639
Base-Backbone interact. energy: -3.685
local terms energy: -805.827266
where:
bonds (distance) C4'-P energy: -155.965
bonds (distance) P-C4' energy: -160.702
flat angles C4'-P-C4' energy: -159.823
flat angles P-C4'-P energy: -126.590
tors. eta vs tors. theta energy: -202.748
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: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2289.942710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.942710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.670055 (E_RNA)
where:
Base-Base interactions energy: -1560.551
where: short stacking energy: -635.749
Base-Backbone interact. energy: -1.810
local terms energy: -729.308579
where:
bonds (distance) C4'-P energy: -124.271
bonds (distance) P-C4' energy: -157.818
flat angles C4'-P-C4' energy: -173.420
flat angles P-C4'-P energy: -97.600
tors. eta vs tors. theta energy: -176.200
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2191.822341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.822341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.355470 (E_RNA)
where:
Base-Base interactions energy: -1457.872
where: short stacking energy: -650.881
Base-Backbone interact. energy: 3.194
local terms energy: -738.677226
where:
bonds (distance) C4'-P energy: -129.239
bonds (distance) P-C4' energy: -159.005
flat angles C4'-P-C4' energy: -161.389
flat angles P-C4'-P energy: -103.514
tors. eta vs tors. theta energy: -185.531
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: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2176.631368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.631368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.600640 (E_RNA)
where:
Base-Base interactions energy: -1491.145
where: short stacking energy: -629.002
Base-Backbone interact. energy: 0.297
local terms energy: -687.753286
where:
bonds (distance) C4'-P energy: -121.650
bonds (distance) P-C4' energy: -151.121
flat angles C4'-P-C4' energy: -157.076
flat angles P-C4'-P energy: -89.277
tors. eta vs tors. theta energy: -168.629
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: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1959.144442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.144442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.536737 (E_RNA)
where:
Base-Base interactions energy: -1333.301
where: short stacking energy: -553.804
Base-Backbone interact. energy: 0.264
local terms energy: -633.500097
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -141.893
flat angles C4'-P-C4' energy: -142.189
flat angles P-C4'-P energy: -97.381
tors. eta vs tors. theta energy: -142.128
Dist. restrs. and SS energy: 7.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1913.657407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.657407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.400518 (E_RNA)
where:
Base-Base interactions energy: -1281.626
where: short stacking energy: -527.191
Base-Backbone interact. energy: -2.308
local terms energy: -633.466562
where:
bonds (distance) C4'-P energy: -106.083
bonds (distance) P-C4' energy: -151.943
flat angles C4'-P-C4' energy: -143.202
flat angles P-C4'-P energy: -100.895
tors. eta vs tors. theta energy: -131.343
Dist. restrs. and SS energy: 3.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1791.543945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.543945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.344372 (E_RNA)
where:
Base-Base interactions energy: -1209.718
where: short stacking energy: -497.635
Base-Backbone interact. energy: 1.528
local terms energy: -587.155041
where:
bonds (distance) C4'-P energy: -111.076
bonds (distance) P-C4' energy: -135.988
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -87.469
tors. eta vs tors. theta energy: -127.114
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: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2700.120322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.120322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.213831 (E_RNA)
where:
Base-Base interactions energy: -1818.978
where: short stacking energy: -782.379
Base-Backbone interact. energy: -1.558
local terms energy: -880.677933
where:
bonds (distance) C4'-P energy: -166.629
bonds (distance) P-C4' energy: -151.474
flat angles C4'-P-C4' energy: -193.660
flat angles P-C4'-P energy: -143.718
tors. eta vs tors. theta energy: -225.197
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2555.512702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.512702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.944314 (E_RNA)
where:
Base-Base interactions energy: -1732.827
where: short stacking energy: -755.390
Base-Backbone interact. energy: -1.852
local terms energy: -825.265504
where:
bonds (distance) C4'-P energy: -161.176
bonds (distance) P-C4' energy: -152.590
flat angles C4'-P-C4' energy: -195.947
flat angles P-C4'-P energy: -101.310
tors. eta vs tors. theta energy: -214.242
Dist. restrs. and SS energy: 4.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2442.100242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.100242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.053158 (E_RNA)
where:
Base-Base interactions energy: -1640.806
where: short stacking energy: -706.265
Base-Backbone interact. energy: 0.329
local terms energy: -810.575711
where:
bonds (distance) C4'-P energy: -157.542
bonds (distance) P-C4' energy: -162.948
flat angles C4'-P-C4' energy: -176.672
flat angles P-C4'-P energy: -114.222
tors. eta vs tors. theta energy: -199.192
Dist. restrs. and SS energy: 8.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2401.038402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.038402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.068478 (E_RNA)
where:
Base-Base interactions energy: -1610.066
where: short stacking energy: -694.410
Base-Backbone interact. energy: -1.288
local terms energy: -791.714440
where:
bonds (distance) C4'-P energy: -146.721
bonds (distance) P-C4' energy: -156.119
flat angles C4'-P-C4' energy: -178.518
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -198.591
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: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2309.083436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.083436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.454967 (E_RNA)
where:
Base-Base interactions energy: -1565.489
where: short stacking energy: -660.622
Base-Backbone interact. energy: -1.699
local terms energy: -746.266705
where:
bonds (distance) C4'-P energy: -146.864
bonds (distance) P-C4' energy: -139.045
flat angles C4'-P-C4' energy: -170.504
flat angles P-C4'-P energy: -115.834
tors. eta vs tors. theta energy: -174.020
Dist. restrs. and SS energy: 4.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2189.938469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.938469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.815040 (E_RNA)
where:
Base-Base interactions energy: -1487.552
where: short stacking energy: -662.118
Base-Backbone interact. energy: -1.652
local terms energy: -702.611114
where:
bonds (distance) C4'-P energy: -138.267
bonds (distance) P-C4' energy: -139.265
flat angles C4'-P-C4' energy: -140.830
flat angles P-C4'-P energy: -103.074
tors. eta vs tors. theta energy: -181.175
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -2121.986240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.986240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.733801 (E_RNA)
where:
Base-Base interactions energy: -1426.140
where: short stacking energy: -606.579
Base-Backbone interact. energy: 1.182
local terms energy: -698.775792
where:
bonds (distance) C4'-P energy: -137.288
bonds (distance) P-C4' energy: -148.070
flat angles C4'-P-C4' energy: -152.157
flat angles P-C4'-P energy: -106.339
tors. eta vs tors. theta energy: -154.923
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: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1963.149877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.149877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.897628 (E_RNA)
where:
Base-Base interactions energy: -1311.471
where: short stacking energy: -562.469
Base-Backbone interact. energy: -0.748
local terms energy: -654.678623
where:
bonds (distance) C4'-P energy: -152.506
bonds (distance) P-C4' energy: -118.478
flat angles C4'-P-C4' energy: -152.242
flat angles P-C4'-P energy: -98.413
tors. eta vs tors. theta energy: -133.038
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: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1902.459283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.459283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.755060 (E_RNA)
where:
Base-Base interactions energy: -1253.518
where: short stacking energy: -541.150
Base-Backbone interact. energy: -0.944
local terms energy: -655.293305
where:
bonds (distance) C4'-P energy: -129.189
bonds (distance) P-C4' energy: -140.234
flat angles C4'-P-C4' energy: -157.385
flat angles P-C4'-P energy: -90.185
tors. eta vs tors. theta energy: -138.300
Dist. restrs. and SS energy: 7.296 (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: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1807.108821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.108821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.706784 (E_RNA)
where:
Base-Base interactions energy: -1237.138
where: short stacking energy: -525.123
Base-Backbone interact. energy: -1.647
local terms energy: -578.921860
where:
bonds (distance) C4'-P energy: -124.865
bonds (distance) P-C4' energy: -132.869
flat angles C4'-P-C4' energy: -116.767
flat angles P-C4'-P energy: -86.989
tors. eta vs tors. theta energy: -117.432
Dist. restrs. and SS energy: 10.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2681.054671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.565621 (E_RNA)
where:
Base-Base interactions energy: -1834.743
where: short stacking energy: -813.780
Base-Backbone interact. energy: -5.028
local terms energy: -842.794618
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -165.005
flat angles C4'-P-C4' energy: -190.705
flat angles P-C4'-P energy: -129.295
tors. eta vs tors. theta energy: -211.067
Dist. restrs. and SS energy: 1.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2594.493818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.493818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.494906 (E_RNA)
where:
Base-Base interactions energy: -1752.537
where: short stacking energy: -794.387
Base-Backbone interact. energy: -3.732
local terms energy: -841.226064
where:
bonds (distance) C4'-P energy: -169.185
bonds (distance) P-C4' energy: -145.868
flat angles C4'-P-C4' energy: -183.130
flat angles P-C4'-P energy: -110.187
tors. eta vs tors. theta energy: -232.857
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2479.727376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.727376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.442218 (E_RNA)
where:
Base-Base interactions energy: -1645.565
where: short stacking energy: -740.682
Base-Backbone interact. energy: -1.750
local terms energy: -843.127805
where:
bonds (distance) C4'-P energy: -158.049
bonds (distance) P-C4' energy: -158.610
flat angles C4'-P-C4' energy: -193.329
flat angles P-C4'-P energy: -118.235
tors. eta vs tors. theta energy: -214.905
Dist. restrs. and SS energy: 10.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2406.471023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.471023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.804315 (E_RNA)
where:
Base-Base interactions energy: -1632.009
where: short stacking energy: -663.265
Base-Backbone interact. energy: -1.802
local terms energy: -774.993290
where:
bonds (distance) C4'-P energy: -146.972
bonds (distance) P-C4' energy: -135.840
flat angles C4'-P-C4' energy: -162.735
flat angles P-C4'-P energy: -125.083
tors. eta vs tors. theta energy: -204.362
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: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -2342.001599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.001599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.752411 (E_RNA)
where:
Base-Base interactions energy: -1597.753
where: short stacking energy: -678.613
Base-Backbone interact. energy: -3.983
local terms energy: -742.016220
where:
bonds (distance) C4'-P energy: -145.897
bonds (distance) P-C4' energy: -152.975
flat angles C4'-P-C4' energy: -163.940
flat angles P-C4'-P energy: -92.753
tors. eta vs tors. theta energy: -186.451
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: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2183.171655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.171655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.367183 (E_RNA)
where:
Base-Base interactions energy: -1475.761
where: short stacking energy: -650.665
Base-Backbone interact. energy: -1.523
local terms energy: -707.083681
where:
bonds (distance) C4'-P energy: -133.537
bonds (distance) P-C4' energy: -132.953
flat angles C4'-P-C4' energy: -152.172
flat angles P-C4'-P energy: -118.295
tors. eta vs tors. theta energy: -170.127
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: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2045.588279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.588279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.978957 (E_RNA)
where:
Base-Base interactions energy: -1376.225
where: short stacking energy: -581.070
Base-Backbone interact. energy: 3.666
local terms energy: -676.419627
where:
bonds (distance) C4'-P energy: -139.703
bonds (distance) P-C4' energy: -130.811
flat angles C4'-P-C4' energy: -160.737
flat angles P-C4'-P energy: -91.818
tors. eta vs tors. theta energy: -153.350
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1987.148934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.148934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.418845 (E_RNA)
where:
Base-Base interactions energy: -1339.824
where: short stacking energy: -580.233
Base-Backbone interact. energy: 1.980
local terms energy: -652.574327
where:
bonds (distance) C4'-P energy: -128.858
bonds (distance) P-C4' energy: -139.592
flat angles C4'-P-C4' energy: -144.573
flat angles P-C4'-P energy: -93.974
tors. eta vs tors. theta energy: -145.578
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: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1866.668487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.668487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.455757 (E_RNA)
where:
Base-Base interactions energy: -1241.081
where: short stacking energy: -538.171
Base-Backbone interact. energy: -0.491
local terms energy: -634.884210
where:
bonds (distance) C4'-P energy: -121.505
bonds (distance) P-C4' energy: -145.642
flat angles C4'-P-C4' energy: -149.973
flat angles P-C4'-P energy: -91.527
tors. eta vs tors. theta energy: -126.237
Dist. restrs. and SS energy: 9.787 (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: 34
Temperature: 1.350000
Total energy: -1844.170235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.170235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.921370 (E_RNA)
where:
Base-Base interactions energy: -1237.214
where: short stacking energy: -512.220
Base-Backbone interact. energy: 1.687
local terms energy: -615.394324
where:
bonds (distance) C4'-P energy: -126.831
bonds (distance) P-C4' energy: -141.891
flat angles C4'-P-C4' energy: -144.607
flat angles P-C4'-P energy: -91.253
tors. eta vs tors. theta energy: -110.812
Dist. restrs. and SS energy: 6.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2670.168467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.168467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.259389 (E_RNA)
where:
Base-Base interactions energy: -1852.710
where: short stacking energy: -825.506
Base-Backbone interact. energy: 1.969
local terms energy: -820.517848
where:
bonds (distance) C4'-P energy: -147.716
bonds (distance) P-C4' energy: -141.401
flat angles C4'-P-C4' energy: -188.712
flat angles P-C4'-P energy: -123.547
tors. eta vs tors. theta energy: -219.142
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2582.440338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.440338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.616424 (E_RNA)
where:
Base-Base interactions energy: -1722.522
where: short stacking energy: -763.801
Base-Backbone interact. energy: -2.180
local terms energy: -860.914777
where:
bonds (distance) C4'-P energy: -153.974
bonds (distance) P-C4' energy: -170.433
flat angles C4'-P-C4' energy: -191.205
flat angles P-C4'-P energy: -124.478
tors. eta vs tors. theta energy: -220.825
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: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2438.021450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.021450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.533489 (E_RNA)
where:
Base-Base interactions energy: -1659.579
where: short stacking energy: -715.729
Base-Backbone interact. energy: -0.646
local terms energy: -787.308905
where:
bonds (distance) C4'-P energy: -138.232
bonds (distance) P-C4' energy: -154.241
flat angles C4'-P-C4' energy: -158.718
flat angles P-C4'-P energy: -125.941
tors. eta vs tors. theta energy: -210.178
Dist. restrs. and SS energy: 9.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2360.311644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.311644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.978985 (E_RNA)
where:
Base-Base interactions energy: -1595.415
where: short stacking energy: -705.821
Base-Backbone interact. energy: -2.177
local terms energy: -764.386373
where:
bonds (distance) C4'-P energy: -145.141
bonds (distance) P-C4' energy: -145.543
flat angles C4'-P-C4' energy: -170.172
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -198.550
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2298.638830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.638830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.171141 (E_RNA)
where:
Base-Base interactions energy: -1549.712
where: short stacking energy: -659.335
Base-Backbone interact. energy: 1.564
local terms energy: -752.023117
where:
bonds (distance) C4'-P energy: -133.652
bonds (distance) P-C4' energy: -151.541
flat angles C4'-P-C4' energy: -170.972
flat angles P-C4'-P energy: -114.119
tors. eta vs tors. theta energy: -181.739
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: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2199.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.531905 (E_RNA)
where:
Base-Base interactions energy: -1477.862
where: short stacking energy: -642.313
Base-Backbone interact. energy: -2.944
local terms energy: -720.726100
where:
bonds (distance) C4'-P energy: -135.625
bonds (distance) P-C4' energy: -144.367
flat angles C4'-P-C4' energy: -166.475
flat angles P-C4'-P energy: -95.927
tors. eta vs tors. theta energy: -178.332
Dist. restrs. and SS energy: 1.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2110.227309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.227309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.891858 (E_RNA)
where:
Base-Base interactions energy: -1438.237
where: short stacking energy: -595.910
Base-Backbone interact. energy: 3.255
local terms energy: -677.909244
where:
bonds (distance) C4'-P energy: -129.395
bonds (distance) P-C4' energy: -136.630
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -100.184
tors. eta vs tors. theta energy: -161.309
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1980.577859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.577859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.412515 (E_RNA)
where:
Base-Base interactions energy: -1311.494
where: short stacking energy: -572.552
Base-Backbone interact. energy: -1.125
local terms energy: -671.793000
where:
bonds (distance) C4'-P energy: -145.264
bonds (distance) P-C4' energy: -129.497
flat angles C4'-P-C4' energy: -149.299
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -156.103
Dist. restrs. and SS energy: 3.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1897.362320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.362320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.232639 (E_RNA)
where:
Base-Base interactions energy: -1276.438
where: short stacking energy: -540.742
Base-Backbone interact. energy: 2.048
local terms energy: -626.842377
where:
bonds (distance) C4'-P energy: -128.666
bonds (distance) P-C4' energy: -123.119
flat angles C4'-P-C4' energy: -148.575
flat angles P-C4'-P energy: -84.943
tors. eta vs tors. theta energy: -141.540
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: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1857.426918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.426918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.536857 (E_RNA)
where:
Base-Base interactions energy: -1279.726
where: short stacking energy: -519.800
Base-Backbone interact. energy: 1.474
local terms energy: -585.285089
where:
bonds (distance) C4'-P energy: -123.171
bonds (distance) P-C4' energy: -121.357
flat angles C4'-P-C4' energy: -138.525
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -127.271
Dist. restrs. and SS energy: 6.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2759.967141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.967141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.365334 (E_RNA)
where:
Base-Base interactions energy: -1880.759
where: short stacking energy: -817.095
Base-Backbone interact. energy: -3.480
local terms energy: -877.126564
where:
bonds (distance) C4'-P energy: -157.073
bonds (distance) P-C4' energy: -171.695
flat angles C4'-P-C4' energy: -177.595
flat angles P-C4'-P energy: -130.200
tors. eta vs tors. theta energy: -240.563
Dist. restrs. and SS energy: 1.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2563.333392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.333392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.545767 (E_RNA)
where:
Base-Base interactions energy: -1728.114
where: short stacking energy: -748.927
Base-Backbone interact. energy: -1.935
local terms energy: -835.496722
where:
bonds (distance) C4'-P energy: -160.978
bonds (distance) P-C4' energy: -152.022
flat angles C4'-P-C4' energy: -185.220
flat angles P-C4'-P energy: -119.519
tors. eta vs tors. theta energy: -217.757
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2416.552180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.552180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.952850 (E_RNA)
where:
Base-Base interactions energy: -1616.367
where: short stacking energy: -729.898
Base-Backbone interact. energy: 0.529
local terms energy: -812.114658
where:
bonds (distance) C4'-P energy: -159.273
bonds (distance) P-C4' energy: -167.680
flat angles C4'-P-C4' energy: -171.757
flat angles P-C4'-P energy: -107.679
tors. eta vs tors. theta energy: -205.726
Dist. restrs. and SS energy: 11.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2357.802054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.802054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.462858 (E_RNA)
where:
Base-Base interactions energy: -1606.350
where: short stacking energy: -702.017
Base-Backbone interact. energy: -1.629
local terms energy: -752.484792
where:
bonds (distance) C4'-P energy: -134.521
bonds (distance) P-C4' energy: -145.853
flat angles C4'-P-C4' energy: -167.584
flat angles P-C4'-P energy: -105.186
tors. eta vs tors. theta energy: -199.341
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: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -2256.459374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.459374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.025111 (E_RNA)
where:
Base-Base interactions energy: -1527.586
where: short stacking energy: -664.163
Base-Backbone interact. energy: -3.058
local terms energy: -727.381342
where:
bonds (distance) C4'-P energy: -145.875
bonds (distance) P-C4' energy: -142.609
flat angles C4'-P-C4' energy: -166.594
flat angles P-C4'-P energy: -92.709
tors. eta vs tors. theta energy: -179.594
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2172.883100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.883100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.840457 (E_RNA)
where:
Base-Base interactions energy: -1477.775
where: short stacking energy: -619.870
Base-Backbone interact. energy: 3.988
local terms energy: -701.054060
where:
bonds (distance) C4'-P energy: -129.313
bonds (distance) P-C4' energy: -147.642
flat angles C4'-P-C4' energy: -159.352
flat angles P-C4'-P energy: -100.576
tors. eta vs tors. theta energy: -164.170
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2137.410362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.410362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.121759 (E_RNA)
where:
Base-Base interactions energy: -1455.112
where: short stacking energy: -625.020
Base-Backbone interact. energy: -1.364
local terms energy: -682.645760
where:
bonds (distance) C4'-P energy: -141.014
bonds (distance) P-C4' energy: -138.778
flat angles C4'-P-C4' energy: -142.510
flat angles P-C4'-P energy: -95.403
tors. eta vs tors. theta energy: -164.941
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: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -2010.166095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.166095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.493292 (E_RNA)
where:
Base-Base interactions energy: -1358.045
where: short stacking energy: -591.408
Base-Backbone interact. energy: -0.648
local terms energy: -655.800533
where:
bonds (distance) C4'-P energy: -141.376
bonds (distance) P-C4' energy: -134.321
flat angles C4'-P-C4' energy: -140.840
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -165.575
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1850.846476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.846476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.488722 (E_RNA)
where:
Base-Base interactions energy: -1263.654
where: short stacking energy: -537.098
Base-Backbone interact. energy: 4.036
local terms energy: -609.870801
where:
bonds (distance) C4'-P energy: -131.377
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -132.576
flat angles P-C4'-P energy: -78.963
tors. eta vs tors. theta energy: -131.619
Dist. restrs. and SS energy: 18.642 (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: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1800.175112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.175112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.581800 (E_RNA)
where:
Base-Base interactions energy: -1172.462
where: short stacking energy: -522.918
Base-Backbone interact. energy: -4.224
local terms energy: -631.895712
where:
bonds (distance) C4'-P energy: -131.480
bonds (distance) P-C4' energy: -136.361
flat angles C4'-P-C4' energy: -150.326
flat angles P-C4'-P energy: -81.345
tors. eta vs tors. theta energy: -132.383
Dist. restrs. and SS energy: 8.407 (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: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2693.638476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.638476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.734111 (E_RNA)
where:
Base-Base interactions energy: -1832.619
where: short stacking energy: -803.104
Base-Backbone interact. energy: -5.374
local terms energy: -856.741368
where:
bonds (distance) C4'-P energy: -166.394
bonds (distance) P-C4' energy: -151.612
flat angles C4'-P-C4' energy: -188.802
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -230.310
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2550.262112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.262112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.513218 (E_RNA)
where:
Base-Base interactions energy: -1737.816
where: short stacking energy: -765.946
Base-Backbone interact. energy: -2.537
local terms energy: -813.160295
where:
bonds (distance) C4'-P energy: -148.703
bonds (distance) P-C4' energy: -160.879
flat angles C4'-P-C4' energy: -181.016
flat angles P-C4'-P energy: -113.849
tors. eta vs tors. theta energy: -208.713
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: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2445.028697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.028697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.659237 (E_RNA)
where:
Base-Base interactions energy: -1640.737
where: short stacking energy: -725.253
Base-Backbone interact. energy: 5.435
local terms energy: -819.357668
where:
bonds (distance) C4'-P energy: -158.753
bonds (distance) P-C4' energy: -155.982
flat angles C4'-P-C4' energy: -172.334
flat angles P-C4'-P energy: -124.104
tors. eta vs tors. theta energy: -208.184
Dist. restrs. and SS energy: 9.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -2339.557430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.557430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.049472 (E_RNA)
where:
Base-Base interactions energy: -1547.359
where: short stacking energy: -673.838
Base-Backbone interact. energy: -2.790
local terms energy: -790.900583
where:
bonds (distance) C4'-P energy: -153.769
bonds (distance) P-C4' energy: -156.107
flat angles C4'-P-C4' energy: -174.265
flat angles P-C4'-P energy: -108.351
tors. eta vs tors. theta energy: -198.408
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2294.489500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.489500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.923865 (E_RNA)
where:
Base-Base interactions energy: -1533.772
where: short stacking energy: -665.857
Base-Backbone interact. energy: -2.567
local terms energy: -760.584896
where:
bonds (distance) C4'-P energy: -134.692
bonds (distance) P-C4' energy: -162.870
flat angles C4'-P-C4' energy: -168.925
flat angles P-C4'-P energy: -120.546
tors. eta vs tors. theta energy: -173.551
Dist. restrs. and SS energy: 2.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2165.196599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.196599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.286034 (E_RNA)
where:
Base-Base interactions energy: -1455.476
where: short stacking energy: -647.351
Base-Backbone interact. energy: -0.996
local terms energy: -710.813742
where:
bonds (distance) C4'-P energy: -129.098
bonds (distance) P-C4' energy: -152.432
flat angles C4'-P-C4' energy: -166.810
flat angles P-C4'-P energy: -89.049
tors. eta vs tors. theta energy: -173.425
Dist. restrs. and SS energy: 2.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2135.930046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.930046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.741991 (E_RNA)
where:
Base-Base interactions energy: -1427.377
where: short stacking energy: -587.800
Base-Backbone interact. energy: -4.399
local terms energy: -705.965498
where:
bonds (distance) C4'-P energy: -136.911
bonds (distance) P-C4' energy: -131.631
flat angles C4'-P-C4' energy: -156.810
flat angles P-C4'-P energy: -105.999
tors. eta vs tors. theta energy: -174.614
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: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1980.901201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.901201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.704501 (E_RNA)
where:
Base-Base interactions energy: -1308.304
where: short stacking energy: -565.863
Base-Backbone interact. energy: -3.342
local terms energy: -671.058509
where:
bonds (distance) C4'-P energy: -145.634
bonds (distance) P-C4' energy: -143.815
flat angles C4'-P-C4' energy: -145.441
flat angles P-C4'-P energy: -92.438
tors. eta vs tors. theta energy: -143.731
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: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1949.354442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.354442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.158842 (E_RNA)
where:
Base-Base interactions energy: -1294.290
where: short stacking energy: -543.673
Base-Backbone interact. energy: -1.562
local terms energy: -655.307181
where:
bonds (distance) C4'-P energy: -151.146
bonds (distance) P-C4' energy: -156.473
flat angles C4'-P-C4' energy: -132.344
flat angles P-C4'-P energy: -82.364
tors. eta vs tors. theta energy: -132.981
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: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1824.832617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.832617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.990998 (E_RNA)
where:
Base-Base interactions energy: -1257.931
where: short stacking energy: -505.796
Base-Backbone interact. energy: -1.550
local terms energy: -568.509603
where:
bonds (distance) C4'-P energy: -118.472
bonds (distance) P-C4' energy: -116.389
flat angles C4'-P-C4' energy: -143.713
flat angles P-C4'-P energy: -83.017
tors. eta vs tors. theta energy: -106.918
Dist. restrs. and SS energy: 3.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2711.680291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.680291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.282035 (E_RNA)
where:
Base-Base interactions energy: -1853.778
where: short stacking energy: -803.154
Base-Backbone interact. energy: -5.051
local terms energy: -854.452907
where:
bonds (distance) C4'-P energy: -158.676
bonds (distance) P-C4' energy: -158.318
flat angles C4'-P-C4' energy: -193.064
flat angles P-C4'-P energy: -125.520
tors. eta vs tors. theta energy: -218.876
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2566.081038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.081038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.266030 (E_RNA)
where:
Base-Base interactions energy: -1737.847
where: short stacking energy: -748.717
Base-Backbone interact. energy: 0.112
local terms energy: -831.531495
where:
bonds (distance) C4'-P energy: -150.653
bonds (distance) P-C4' energy: -164.364
flat angles C4'-P-C4' energy: -176.059
flat angles P-C4'-P energy: -134.316
tors. eta vs tors. theta energy: -206.140
Dist. restrs. and SS energy: 3.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2415.534991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.534991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.410707 (E_RNA)
where:
Base-Base interactions energy: -1619.543
where: short stacking energy: -716.363
Base-Backbone interact. energy: -1.456
local terms energy: -808.412154
where:
bonds (distance) C4'-P energy: -151.335
bonds (distance) P-C4' energy: -146.406
flat angles C4'-P-C4' energy: -181.007
flat angles P-C4'-P energy: -124.483
tors. eta vs tors. theta energy: -205.181
Dist. restrs. and SS energy: 13.876 (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: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2431.838766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.838766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.376185 (E_RNA)
where:
Base-Base interactions energy: -1651.884
where: short stacking energy: -711.233
Base-Backbone interact. energy: 0.037
local terms energy: -781.529608
where:
bonds (distance) C4'-P energy: -151.679
bonds (distance) P-C4' energy: -151.854
flat angles C4'-P-C4' energy: -173.532
flat angles P-C4'-P energy: -108.300
tors. eta vs tors. theta energy: -196.164
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2271.002034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.990969 (E_RNA)
where:
Base-Base interactions energy: -1550.356
where: short stacking energy: -683.308
Base-Backbone interact. energy: 1.299
local terms energy: -723.934362
where:
bonds (distance) C4'-P energy: -151.124
bonds (distance) P-C4' energy: -123.685
flat angles C4'-P-C4' energy: -166.366
flat angles P-C4'-P energy: -106.503
tors. eta vs tors. theta energy: -176.257
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: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2230.374331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.374331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.993739 (E_RNA)
where:
Base-Base interactions energy: -1492.082
where: short stacking energy: -656.207
Base-Backbone interact. energy: -2.700
local terms energy: -737.210875
where:
bonds (distance) C4'-P energy: -129.992
bonds (distance) P-C4' energy: -146.816
flat angles C4'-P-C4' energy: -162.840
flat angles P-C4'-P energy: -100.437
tors. eta vs tors. theta energy: -197.126
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2111.557451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.557451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.620688 (E_RNA)
where:
Base-Base interactions energy: -1439.992
where: short stacking energy: -625.155
Base-Backbone interact. energy: 3.467
local terms energy: -678.095709
where:
bonds (distance) C4'-P energy: -132.757
bonds (distance) P-C4' energy: -119.617
flat angles C4'-P-C4' energy: -149.084
flat angles P-C4'-P energy: -112.553
tors. eta vs tors. theta energy: -164.084
Dist. restrs. and SS energy: 3.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2004.410809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.410809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.926711 (E_RNA)
where:
Base-Base interactions energy: -1337.364
where: short stacking energy: -578.476
Base-Backbone interact. energy: -1.860
local terms energy: -667.702723
where:
bonds (distance) C4'-P energy: -139.925
bonds (distance) P-C4' energy: -132.431
flat angles C4'-P-C4' energy: -149.051
flat angles P-C4'-P energy: -93.676
tors. eta vs tors. theta energy: -152.619
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: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1939.815730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.815730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.565647 (E_RNA)
where:
Base-Base interactions energy: -1363.959
where: short stacking energy: -589.698
Base-Backbone interact. energy: 2.312
local terms energy: -579.918563
where:
bonds (distance) C4'-P energy: -119.739
bonds (distance) P-C4' energy: -114.896
flat angles C4'-P-C4' energy: -134.536
flat angles P-C4'-P energy: -74.983
tors. eta vs tors. theta energy: -135.765
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: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1839.956716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.956716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.694572 (E_RNA)
where:
Base-Base interactions energy: -1222.817
where: short stacking energy: -504.406
Base-Backbone interact. energy: -1.920
local terms energy: -618.957038
where:
bonds (distance) C4'-P energy: -127.743
bonds (distance) P-C4' energy: -133.783
flat angles C4'-P-C4' energy: -144.386
flat angles P-C4'-P energy: -89.655
tors. eta vs tors. theta energy: -123.390
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2666.684455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.684455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.634102 (E_RNA)
where:
Base-Base interactions energy: -1835.944
where: short stacking energy: -770.095
Base-Backbone interact. energy: -1.540
local terms energy: -830.150281
where:
bonds (distance) C4'-P energy: -150.395
bonds (distance) P-C4' energy: -170.826
flat angles C4'-P-C4' energy: -170.450
flat angles P-C4'-P energy: -120.080
tors. eta vs tors. theta energy: -218.400
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2609.226193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.226193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.175227 (E_RNA)
where:
Base-Base interactions energy: -1784.655
where: short stacking energy: -763.336
Base-Backbone interact. energy: 0.223
local terms energy: -827.743104
where:
bonds (distance) C4'-P energy: -151.437
bonds (distance) P-C4' energy: -159.839
flat angles C4'-P-C4' energy: -184.831
flat angles P-C4'-P energy: -105.362
tors. eta vs tors. theta energy: -226.275
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2400.914227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.914227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.255370 (E_RNA)
where:
Base-Base interactions energy: -1641.029
where: short stacking energy: -728.320
Base-Backbone interact. energy: -4.031
local terms energy: -764.195215
where:
bonds (distance) C4'-P energy: -136.864
bonds (distance) P-C4' energy: -139.758
flat angles C4'-P-C4' energy: -168.992
flat angles P-C4'-P energy: -114.301
tors. eta vs tors. theta energy: -204.280
Dist. restrs. and SS energy: 8.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2437.957993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.957993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.858801 (E_RNA)
where:
Base-Base interactions energy: -1663.682
where: short stacking energy: -730.297
Base-Backbone interact. energy: -3.513
local terms energy: -773.663625
where:
bonds (distance) C4'-P energy: -156.189
bonds (distance) P-C4' energy: -153.336
flat angles C4'-P-C4' energy: -168.028
flat angles P-C4'-P energy: -99.165
tors. eta vs tors. theta energy: -196.945
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: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2283.119359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.119359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.472378 (E_RNA)
where:
Base-Base interactions energy: -1522.981
where: short stacking energy: -683.338
Base-Backbone interact. energy: -1.912
local terms energy: -760.579531
where:
bonds (distance) C4'-P energy: -156.670
bonds (distance) P-C4' energy: -132.821
flat angles C4'-P-C4' energy: -172.360
flat angles P-C4'-P energy: -96.536
tors. eta vs tors. theta energy: -202.192
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: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2177.727278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.727278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.160335 (E_RNA)
where:
Base-Base interactions energy: -1464.249
where: short stacking energy: -659.774
Base-Backbone interact. energy: -2.213
local terms energy: -717.698215
where:
bonds (distance) C4'-P energy: -136.863
bonds (distance) P-C4' energy: -141.865
flat angles C4'-P-C4' energy: -151.520
flat angles P-C4'-P energy: -112.407
tors. eta vs tors. theta energy: -175.042
Dist. restrs. and SS energy: 6.433 (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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2130.850022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.850022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.083664 (E_RNA)
where:
Base-Base interactions energy: -1426.929
where: short stacking energy: -608.732
Base-Backbone interact. energy: -0.711
local terms energy: -705.443751
where:
bonds (distance) C4'-P energy: -127.522
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -180.278
flat angles P-C4'-P energy: -115.569
tors. eta vs tors. theta energy: -162.109
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: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1992.336557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.336557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.454387 (E_RNA)
where:
Base-Base interactions energy: -1367.731
where: short stacking energy: -600.007
Base-Backbone interact. energy: -0.160
local terms energy: -626.562752
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -122.892
flat angles C4'-P-C4' energy: -136.520
flat angles P-C4'-P energy: -89.912
tors. eta vs tors. theta energy: -147.013
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: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1938.990089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.990089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.863368 (E_RNA)
where:
Base-Base interactions energy: -1317.657
where: short stacking energy: -545.446
Base-Backbone interact. energy: 7.131
local terms energy: -632.337179
where:
bonds (distance) C4'-P energy: -129.641
bonds (distance) P-C4' energy: -119.333
flat angles C4'-P-C4' energy: -141.975
flat angles P-C4'-P energy: -103.090
tors. eta vs tors. theta energy: -138.299
Dist. restrs. and SS energy: 3.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1851.976491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.976491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.345794 (E_RNA)
where:
Base-Base interactions energy: -1246.262
where: short stacking energy: -492.885
Base-Backbone interact. energy: -1.687
local terms energy: -607.396290
where:
bonds (distance) C4'-P energy: -140.552
bonds (distance) P-C4' energy: -118.215
flat angles C4'-P-C4' energy: -147.665
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -137.071
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2682.102867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.102867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.874351 (E_RNA)
where:
Base-Base interactions energy: -1827.606
where: short stacking energy: -756.363
Base-Backbone interact. energy: -7.978
local terms energy: -848.290271
where:
bonds (distance) C4'-P energy: -164.413
bonds (distance) P-C4' energy: -155.064
flat angles C4'-P-C4' energy: -185.409
flat angles P-C4'-P energy: -122.558
tors. eta vs tors. theta energy: -220.847
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2561.130342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.130342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.364716 (E_RNA)
where:
Base-Base interactions energy: -1738.427
where: short stacking energy: -762.518
Base-Backbone interact. energy: -0.204
local terms energy: -823.734238
where:
bonds (distance) C4'-P energy: -154.368
bonds (distance) P-C4' energy: -162.707
flat angles C4'-P-C4' energy: -181.671
flat angles P-C4'-P energy: -114.071
tors. eta vs tors. theta energy: -210.917
Dist. restrs. and SS energy: 1.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2475.066614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.066614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.066202 (E_RNA)
where:
Base-Base interactions energy: -1680.186
where: short stacking energy: -719.687
Base-Backbone interact. energy: -4.697
local terms energy: -794.183026
where:
bonds (distance) C4'-P energy: -148.119
bonds (distance) P-C4' energy: -155.912
flat angles C4'-P-C4' energy: -164.939
flat angles P-C4'-P energy: -110.600
tors. eta vs tors. theta energy: -214.613
Dist. restrs. and SS energy: 4.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2414.369747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.608187 (E_RNA)
where:
Base-Base interactions energy: -1635.428
where: short stacking energy: -705.273
Base-Backbone interact. energy: 0.643
local terms energy: -782.822899
where:
bonds (distance) C4'-P energy: -155.751
bonds (distance) P-C4' energy: -144.959
flat angles C4'-P-C4' energy: -168.232
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -199.897
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2301.847423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.847423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.300863 (E_RNA)
where:
Base-Base interactions energy: -1538.447
where: short stacking energy: -682.452
Base-Backbone interact. energy: -0.752
local terms energy: -765.102108
where:
bonds (distance) C4'-P energy: -153.931
bonds (distance) P-C4' energy: -152.006
flat angles C4'-P-C4' energy: -168.347
flat angles P-C4'-P energy: -108.329
tors. eta vs tors. theta energy: -182.490
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: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2177.785209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.785209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.987542 (E_RNA)
where:
Base-Base interactions energy: -1453.563
where: short stacking energy: -639.422
Base-Backbone interact. energy: -0.791
local terms energy: -725.633277
where:
bonds (distance) C4'-P energy: -135.132
bonds (distance) P-C4' energy: -143.718
flat angles C4'-P-C4' energy: -152.157
flat angles P-C4'-P energy: -116.939
tors. eta vs tors. theta energy: -177.687
Dist. restrs. and SS energy: 2.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2123.079615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.079615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.993239 (E_RNA)
where:
Base-Base interactions energy: -1469.990
where: short stacking energy: -624.229
Base-Backbone interact. energy: -3.372
local terms energy: -651.631571
where:
bonds (distance) C4'-P energy: -108.445
bonds (distance) P-C4' energy: -138.962
flat angles C4'-P-C4' energy: -155.758
flat angles P-C4'-P energy: -89.946
tors. eta vs tors. theta energy: -158.520
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: 3
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1982.190616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.190616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.687993 (E_RNA)
where:
Base-Base interactions energy: -1354.409
where: short stacking energy: -562.804
Base-Backbone interact. energy: -2.577
local terms energy: -628.701891
where:
bonds (distance) C4'-P energy: -132.619
bonds (distance) P-C4' energy: -126.691
flat angles C4'-P-C4' energy: -141.507
flat angles P-C4'-P energy: -75.653
tors. eta vs tors. theta energy: -152.232
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1944.106027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.106027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.927706 (E_RNA)
where:
Base-Base interactions energy: -1317.064
where: short stacking energy: -546.332
Base-Backbone interact. energy: -1.863
local terms energy: -630.000520
where:
bonds (distance) C4'-P energy: -124.084
bonds (distance) P-C4' energy: -132.132
flat angles C4'-P-C4' energy: -159.693
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -145.512
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: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1865.861431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.861431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.790727 (E_RNA)
where:
Base-Base interactions energy: -1282.327
where: short stacking energy: -540.711
Base-Backbone interact. energy: 3.632
local terms energy: -591.096045
where:
bonds (distance) C4'-P energy: -117.046
bonds (distance) P-C4' energy: -123.853
flat angles C4'-P-C4' energy: -137.462
flat angles P-C4'-P energy: -69.626
tors. eta vs tors. theta energy: -143.109
Dist. restrs. and SS energy: 3.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2629.005056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.138361 (E_RNA)
where:
Base-Base interactions energy: -1788.836
where: short stacking energy: -776.238
Base-Backbone interact. energy: 0.095
local terms energy: -841.397192
where:
bonds (distance) C4'-P energy: -159.703
bonds (distance) P-C4' energy: -166.471
flat angles C4'-P-C4' energy: -192.035
flat angles P-C4'-P energy: -107.860
tors. eta vs tors. theta energy: -215.328
Dist. restrs. and SS energy: 1.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2582.383072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.383072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.359265 (E_RNA)
where:
Base-Base interactions energy: -1724.378
where: short stacking energy: -772.871
Base-Backbone interact. energy: -1.037
local terms energy: -857.944028
where:
bonds (distance) C4'-P energy: -166.045
bonds (distance) P-C4' energy: -167.692
flat angles C4'-P-C4' energy: -181.344
flat angles P-C4'-P energy: -125.185
tors. eta vs tors. theta energy: -217.678
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: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2487.949751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.949751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.782595 (E_RNA)
where:
Base-Base interactions energy: -1700.562
where: short stacking energy: -744.403
Base-Backbone interact. energy: -2.903
local terms energy: -790.317821
where:
bonds (distance) C4'-P energy: -151.148
bonds (distance) P-C4' energy: -146.042
flat angles C4'-P-C4' energy: -165.682
flat angles P-C4'-P energy: -118.683
tors. eta vs tors. theta energy: -208.764
Dist. restrs. and SS energy: 5.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2366.269911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.269911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.865652 (E_RNA)
where:
Base-Base interactions energy: -1583.093
where: short stacking energy: -693.810
Base-Backbone interact. energy: -3.190
local terms energy: -781.582488
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -157.670
flat angles C4'-P-C4' energy: -173.934
flat angles P-C4'-P energy: -105.499
tors. eta vs tors. theta energy: -198.558
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2340.412255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.412255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.063214 (E_RNA)
where:
Base-Base interactions energy: -1616.904
where: short stacking energy: -699.527
Base-Backbone interact. energy: -0.685
local terms energy: -724.473940
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -148.011
flat angles C4'-P-C4' energy: -157.739
flat angles P-C4'-P energy: -102.038
tors. eta vs tors. theta energy: -201.746
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: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2170.388943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.388943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.189836 (E_RNA)
where:
Base-Base interactions energy: -1449.457
where: short stacking energy: -640.656
Base-Backbone interact. energy: -3.832
local terms energy: -720.901592
where:
bonds (distance) C4'-P energy: -152.045
bonds (distance) P-C4' energy: -147.322
flat angles C4'-P-C4' energy: -163.536
flat angles P-C4'-P energy: -90.999
tors. eta vs tors. theta energy: -167.000
Dist. restrs. and SS energy: 3.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2107.898441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.898441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.082917 (E_RNA)
where:
Base-Base interactions energy: -1417.871
where: short stacking energy: -621.271
Base-Backbone interact. energy: -0.773
local terms energy: -690.439307
where:
bonds (distance) C4'-P energy: -146.035
bonds (distance) P-C4' energy: -138.509
flat angles C4'-P-C4' energy: -155.633
flat angles P-C4'-P energy: -86.620
tors. eta vs tors. theta energy: -163.642
Dist. restrs. and SS energy: 1.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1993.752536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.752536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.000103 (E_RNA)
where:
Base-Base interactions energy: -1362.607
where: short stacking energy: -583.860
Base-Backbone interact. energy: -1.854
local terms energy: -633.539216
where:
bonds (distance) C4'-P energy: -137.868
bonds (distance) P-C4' energy: -128.477
flat angles C4'-P-C4' energy: -134.446
flat angles P-C4'-P energy: -91.517
tors. eta vs tors. theta energy: -141.231
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1942.580219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.580219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.800786 (E_RNA)
where:
Base-Base interactions energy: -1320.182
where: short stacking energy: -547.632
Base-Backbone interact. energy: 2.963
local terms energy: -627.581048
where:
bonds (distance) C4'-P energy: -131.123
bonds (distance) P-C4' energy: -127.614
flat angles C4'-P-C4' energy: -149.428
flat angles P-C4'-P energy: -88.550
tors. eta vs tors. theta energy: -130.866
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: 41
Temperature: 1.350000
Total energy: -1863.212958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.212958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.442325 (E_RNA)
where:
Base-Base interactions energy: -1283.530
where: short stacking energy: -532.260
Base-Backbone interact. energy: 2.312
local terms energy: -584.224538
where:
bonds (distance) C4'-P energy: -135.157
bonds (distance) P-C4' energy: -118.274
flat angles C4'-P-C4' energy: -118.644
flat angles P-C4'-P energy: -84.355
tors. eta vs tors. theta energy: -127.795
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2642.578677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.578677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.753738 (E_RNA)
where:
Base-Base interactions energy: -1802.772
where: short stacking energy: -767.226
Base-Backbone interact. energy: -4.299
local terms energy: -836.682571
where:
bonds (distance) C4'-P energy: -141.751
bonds (distance) P-C4' energy: -163.082
flat angles C4'-P-C4' energy: -186.571
flat angles P-C4'-P energy: -125.314
tors. eta vs tors. theta energy: -219.965
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2562.850638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.850638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.602192 (E_RNA)
where:
Base-Base interactions energy: -1741.870
where: short stacking energy: -761.993
Base-Backbone interact. energy: -2.837
local terms energy: -819.894787
where:
bonds (distance) C4'-P energy: -149.163
bonds (distance) P-C4' energy: -168.383
flat angles C4'-P-C4' energy: -158.427
flat angles P-C4'-P energy: -119.212
tors. eta vs tors. theta energy: -224.711
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: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2511.247158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.247158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.681818 (E_RNA)
where:
Base-Base interactions energy: -1701.795
where: short stacking energy: -717.732
Base-Backbone interact. energy: 2.624
local terms energy: -819.510492
where:
bonds (distance) C4'-P energy: -148.995
bonds (distance) P-C4' energy: -162.710
flat angles C4'-P-C4' energy: -170.426
flat angles P-C4'-P energy: -112.896
tors. eta vs tors. theta energy: -224.483
Dist. restrs. and SS energy: 7.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2431.747135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.747135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.609368 (E_RNA)
where:
Base-Base interactions energy: -1663.928
where: short stacking energy: -726.946
Base-Backbone interact. energy: -1.933
local terms energy: -768.748519
where:
bonds (distance) C4'-P energy: -132.635
bonds (distance) P-C4' energy: -140.279
flat angles C4'-P-C4' energy: -169.789
flat angles P-C4'-P energy: -107.932
tors. eta vs tors. theta energy: -218.113
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2332.382797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.382797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.147727 (E_RNA)
where:
Base-Base interactions energy: -1617.292
where: short stacking energy: -685.914
Base-Backbone interact. energy: 1.027
local terms energy: -717.883389
where:
bonds (distance) C4'-P energy: -128.053
bonds (distance) P-C4' energy: -157.854
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -85.787
tors. eta vs tors. theta energy: -200.659
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: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2208.454612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.454612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.462660 (E_RNA)
where:
Base-Base interactions energy: -1465.970
where: short stacking energy: -632.040
Base-Backbone interact. energy: -4.370
local terms energy: -740.122473
where:
bonds (distance) C4'-P energy: -141.377
bonds (distance) P-C4' energy: -148.915
flat angles C4'-P-C4' energy: -166.528
flat angles P-C4'-P energy: -110.677
tors. eta vs tors. theta energy: -172.626
Dist. restrs. and SS energy: 2.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2058.855000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.855000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.104435 (E_RNA)
where:
Base-Base interactions energy: -1371.477
where: short stacking energy: -587.502
Base-Backbone interact. energy: -0.610
local terms energy: -689.017198
where:
bonds (distance) C4'-P energy: -141.859
bonds (distance) P-C4' energy: -166.780
flat angles C4'-P-C4' energy: -146.345
flat angles P-C4'-P energy: -66.539
tors. eta vs tors. theta energy: -167.494
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1975.849660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.849660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.761598 (E_RNA)
where:
Base-Base interactions energy: -1368.781
where: short stacking energy: -570.375
Base-Backbone interact. energy: 0.578
local terms energy: -611.558632
where:
bonds (distance) C4'-P energy: -120.011
bonds (distance) P-C4' energy: -145.507
flat angles C4'-P-C4' energy: -120.227
flat angles P-C4'-P energy: -71.393
tors. eta vs tors. theta energy: -154.421
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: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1902.568703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.568703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.577902 (E_RNA)
where:
Base-Base interactions energy: -1311.696
where: short stacking energy: -543.232
Base-Backbone interact. energy: -1.168
local terms energy: -592.714143
where:
bonds (distance) C4'-P energy: -118.250
bonds (distance) P-C4' energy: -134.454
flat angles C4'-P-C4' energy: -126.405
flat angles P-C4'-P energy: -83.706
tors. eta vs tors. theta energy: -129.900
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: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1889.598475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.598475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.075883 (E_RNA)
where:
Base-Base interactions energy: -1303.963
where: short stacking energy: -552.501
Base-Backbone interact. energy: -0.741
local terms energy: -589.372166
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -125.461
flat angles C4'-P-C4' energy: -135.513
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -124.490
Dist. restrs. and SS energy: 4.477 (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: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2680.872754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.872754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.260408 (E_RNA)
where:
Base-Base interactions energy: -1812.289
where: short stacking energy: -806.427
Base-Backbone interact. energy: -1.542
local terms energy: -868.429511
where:
bonds (distance) C4'-P energy: -168.994
bonds (distance) P-C4' energy: -151.647
flat angles C4'-P-C4' energy: -181.510
flat angles P-C4'-P energy: -124.478
tors. eta vs tors. theta energy: -241.801
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2557.891705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.891705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.074849 (E_RNA)
where:
Base-Base interactions energy: -1731.914
where: short stacking energy: -751.184
Base-Backbone interact. energy: 0.270
local terms energy: -827.431268
where:
bonds (distance) C4'-P energy: -137.098
bonds (distance) P-C4' energy: -145.875
flat angles C4'-P-C4' energy: -195.951
flat angles P-C4'-P energy: -133.851
tors. eta vs tors. theta energy: -214.656
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2511.454530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.454530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.299818 (E_RNA)
where:
Base-Base interactions energy: -1694.633
where: short stacking energy: -717.907
Base-Backbone interact. energy: -1.816
local terms energy: -822.850243
where:
bonds (distance) C4'-P energy: -152.056
bonds (distance) P-C4' energy: -152.986
flat angles C4'-P-C4' energy: -188.494
flat angles P-C4'-P energy: -118.881
tors. eta vs tors. theta energy: -210.432
Dist. restrs. and SS energy: 7.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2419.918105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.918105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.609874 (E_RNA)
where:
Base-Base interactions energy: -1634.454
where: short stacking energy: -713.314
Base-Backbone interact. energy: -1.841
local terms energy: -786.315106
where:
bonds (distance) C4'-P energy: -143.845
bonds (distance) P-C4' energy: -162.035
flat angles C4'-P-C4' energy: -167.350
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -201.718
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2389.206395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.206395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.694067 (E_RNA)
where:
Base-Base interactions energy: -1600.328
where: short stacking energy: -706.371
Base-Backbone interact. energy: -1.702
local terms energy: -789.664402
where:
bonds (distance) C4'-P energy: -151.971
bonds (distance) P-C4' energy: -147.184
flat angles C4'-P-C4' energy: -166.790
flat angles P-C4'-P energy: -117.173
tors. eta vs tors. theta energy: -206.547
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: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -2218.371819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.371819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.017967 (E_RNA)
where:
Base-Base interactions energy: -1517.560
where: short stacking energy: -640.462
Base-Backbone interact. energy: 11.198
local terms energy: -713.655435
where:
bonds (distance) C4'-P energy: -117.880
bonds (distance) P-C4' energy: -161.194
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -94.528
tors. eta vs tors. theta energy: -172.968
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: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2117.724977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.724977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.330132 (E_RNA)
where:
Base-Base interactions energy: -1405.374
where: short stacking energy: -609.881
Base-Backbone interact. energy: -2.193
local terms energy: -712.763417
where:
bonds (distance) C4'-P energy: -123.240
bonds (distance) P-C4' energy: -145.429
flat angles C4'-P-C4' energy: -150.491
flat angles P-C4'-P energy: -107.115
tors. eta vs tors. theta energy: -186.488
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: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1999.650497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.650497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.765527 (E_RNA)
where:
Base-Base interactions energy: -1339.864
where: short stacking energy: -589.008
Base-Backbone interact. energy: 1.332
local terms energy: -664.234232
where:
bonds (distance) C4'-P energy: -133.905
bonds (distance) P-C4' energy: -127.262
flat angles C4'-P-C4' energy: -162.425
flat angles P-C4'-P energy: -94.062
tors. eta vs tors. theta energy: -146.580
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: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1944.225127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.225127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.021122 (E_RNA)
where:
Base-Base interactions energy: -1313.586
where: short stacking energy: -539.319
Base-Backbone interact. energy: 0.640
local terms energy: -634.075660
where:
bonds (distance) C4'-P energy: -131.999
bonds (distance) P-C4' energy: -147.300
flat angles C4'-P-C4' energy: -143.692
flat angles P-C4'-P energy: -75.511
tors. eta vs tors. theta energy: -135.574
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1868.720370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.720370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.702932 (E_RNA)
where:
Base-Base interactions energy: -1260.286
where: short stacking energy: -526.460
Base-Backbone interact. energy: 1.596
local terms energy: -613.012143
where:
bonds (distance) C4'-P energy: -135.630
bonds (distance) P-C4' energy: -124.641
flat angles C4'-P-C4' energy: -143.666
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -129.725
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: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2609.611361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.611361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.206983 (E_RNA)
where:
Base-Base interactions energy: -1763.193
where: short stacking energy: -795.621
Base-Backbone interact. energy: -1.392
local terms energy: -846.622470
where:
bonds (distance) C4'-P energy: -158.969
bonds (distance) P-C4' energy: -164.942
flat angles C4'-P-C4' energy: -184.035
flat angles P-C4'-P energy: -125.115
tors. eta vs tors. theta energy: -213.561
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2639.667319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.667319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.071457 (E_RNA)
where:
Base-Base interactions energy: -1791.788
where: short stacking energy: -795.132
Base-Backbone interact. energy: -3.844
local terms energy: -845.438814
where:
bonds (distance) C4'-P energy: -158.795
bonds (distance) P-C4' energy: -159.156
flat angles C4'-P-C4' energy: -190.849
flat angles P-C4'-P energy: -117.864
tors. eta vs tors. theta energy: -218.775
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2513.688986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.688986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.090609 (E_RNA)
where:
Base-Base interactions energy: -1708.446
where: short stacking energy: -730.174
Base-Backbone interact. energy: 1.329
local terms energy: -809.974229
where:
bonds (distance) C4'-P energy: -169.722
bonds (distance) P-C4' energy: -139.810
flat angles C4'-P-C4' energy: -179.838
flat angles P-C4'-P energy: -105.419
tors. eta vs tors. theta energy: -215.185
Dist. restrs. and SS energy: 3.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2473.534498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.534498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.984149 (E_RNA)
where:
Base-Base interactions energy: -1645.274
where: short stacking energy: -720.454
Base-Backbone interact. energy: -2.287
local terms energy: -829.423351
where:
bonds (distance) C4'-P energy: -161.228
bonds (distance) P-C4' energy: -156.308
flat angles C4'-P-C4' energy: -177.132
flat angles P-C4'-P energy: -118.450
tors. eta vs tors. theta energy: -216.305
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: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2391.220387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.220387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.035979 (E_RNA)
where:
Base-Base interactions energy: -1612.854
where: short stacking energy: -690.097
Base-Backbone interact. energy: 0.615
local terms energy: -780.797147
where:
bonds (distance) C4'-P energy: -147.544
bonds (distance) P-C4' energy: -147.296
flat angles C4'-P-C4' energy: -158.187
flat angles P-C4'-P energy: -120.353
tors. eta vs tors. theta energy: -207.418
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: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -2210.691989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.691989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.347667 (E_RNA)
where:
Base-Base interactions energy: -1491.549
where: short stacking energy: -660.983
Base-Backbone interact. energy: 2.800
local terms energy: -723.598650
where:
bonds (distance) C4'-P energy: -135.630
bonds (distance) P-C4' energy: -141.500
flat angles C4'-P-C4' energy: -169.003
flat angles P-C4'-P energy: -102.931
tors. eta vs tors. theta energy: -174.535
Dist. restrs. and SS energy: 1.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2144.801330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.801330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.930023 (E_RNA)
where:
Base-Base interactions energy: -1428.141
where: short stacking energy: -611.167
Base-Backbone interact. energy: -0.419
local terms energy: -717.369824
where:
bonds (distance) C4'-P energy: -136.484
bonds (distance) P-C4' energy: -150.311
flat angles C4'-P-C4' energy: -158.425
flat angles P-C4'-P energy: -97.663
tors. eta vs tors. theta energy: -174.487
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2027.375588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.375588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.490816 (E_RNA)
where:
Base-Base interactions energy: -1377.813
where: short stacking energy: -594.975
Base-Backbone interact. energy: 0.915
local terms energy: -652.593528
where:
bonds (distance) C4'-P energy: -122.778
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -147.403
flat angles P-C4'-P energy: -113.378
tors. eta vs tors. theta energy: -155.172
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: 9, replica: 5
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -2008.463033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.463033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.160910 (E_RNA)
where:
Base-Base interactions energy: -1353.573
where: short stacking energy: -606.786
Base-Backbone interact. energy: 6.724
local terms energy: -664.312456
where:
bonds (distance) C4'-P energy: -125.382
bonds (distance) P-C4' energy: -140.762
flat angles C4'-P-C4' energy: -144.316
flat angles P-C4'-P energy: -81.847
tors. eta vs tors. theta energy: -172.004
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: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -1844.506228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.506228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.148616 (E_RNA)
where:
Base-Base interactions energy: -1266.856
where: short stacking energy: -529.874
Base-Backbone interact. energy: -1.450
local terms energy: -578.843200
where:
bonds (distance) C4'-P energy: -97.572
bonds (distance) P-C4' energy: -135.369
flat angles C4'-P-C4' energy: -129.203
flat angles P-C4'-P energy: -85.419
tors. eta vs tors. theta energy: -131.281
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2636.025742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.025742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.200065 (E_RNA)
where:
Base-Base interactions energy: -1800.934
where: short stacking energy: -800.592
Base-Backbone interact. energy: 1.564
local terms energy: -837.830570
where:
bonds (distance) C4'-P energy: -152.199
bonds (distance) P-C4' energy: -165.649
flat angles C4'-P-C4' energy: -168.685
flat angles P-C4'-P energy: -132.580
tors. eta vs tors. theta energy: -218.717
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: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2644.428332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.428332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.851811 (E_RNA)
where:
Base-Base interactions energy: -1796.830
where: short stacking energy: -780.862
Base-Backbone interact. energy: -2.091
local terms energy: -846.930603
where:
bonds (distance) C4'-P energy: -149.058
bonds (distance) P-C4' energy: -159.766
flat angles C4'-P-C4' energy: -197.889
flat angles P-C4'-P energy: -122.347
tors. eta vs tors. theta energy: -217.871
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: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2525.833522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.833522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.266691 (E_RNA)
where:
Base-Base interactions energy: -1720.927
where: short stacking energy: -730.716
Base-Backbone interact. energy: 2.490
local terms energy: -810.830268
where:
bonds (distance) C4'-P energy: -145.309
bonds (distance) P-C4' energy: -158.432
flat angles C4'-P-C4' energy: -176.369
flat angles P-C4'-P energy: -108.070
tors. eta vs tors. theta energy: -222.649
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2387.085994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.085994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.627743 (E_RNA)
where:
Base-Base interactions energy: -1625.313
where: short stacking energy: -696.466
Base-Backbone interact. energy: 0.322
local terms energy: -764.637196
where:
bonds (distance) C4'-P energy: -149.932
bonds (distance) P-C4' energy: -142.640
flat angles C4'-P-C4' energy: -183.727
flat angles P-C4'-P energy: -103.081
tors. eta vs tors. theta energy: -185.257
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2345.176806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.176806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.159228 (E_RNA)
where:
Base-Base interactions energy: -1581.824
where: short stacking energy: -661.926
Base-Backbone interact. energy: -0.898
local terms energy: -764.437937
where:
bonds (distance) C4'-P energy: -136.685
bonds (distance) P-C4' energy: -157.264
flat angles C4'-P-C4' energy: -159.006
flat angles P-C4'-P energy: -112.677
tors. eta vs tors. theta energy: -198.806
Dist. restrs. and SS energy: 1.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2191.179243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.179243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.355236 (E_RNA)
where:
Base-Base interactions energy: -1491.402
where: short stacking energy: -639.922
Base-Backbone interact. energy: -0.645
local terms energy: -700.308137
where:
bonds (distance) C4'-P energy: -147.117
bonds (distance) P-C4' energy: -142.384
flat angles C4'-P-C4' energy: -147.638
flat angles P-C4'-P energy: -90.911
tors. eta vs tors. theta energy: -172.259
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: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2065.945707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.945707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.858016 (E_RNA)
where:
Base-Base interactions energy: -1368.309
where: short stacking energy: -586.305
Base-Backbone interact. energy: -2.869
local terms energy: -696.679389
where:
bonds (distance) C4'-P energy: -142.842
bonds (distance) P-C4' energy: -141.999
flat angles C4'-P-C4' energy: -158.919
flat angles P-C4'-P energy: -96.492
tors. eta vs tors. theta energy: -156.426
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1971.613840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.613840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.912383 (E_RNA)
where:
Base-Base interactions energy: -1311.781
where: short stacking energy: -551.807
Base-Backbone interact. energy: -1.230
local terms energy: -660.901169
where:
bonds (distance) C4'-P energy: -133.065
bonds (distance) P-C4' energy: -122.400
flat angles C4'-P-C4' energy: -156.343
flat angles P-C4'-P energy: -95.346
tors. eta vs tors. theta energy: -153.746
Dist. restrs. and SS energy: 2.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1953.933208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.933208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.936210 (E_RNA)
where:
Base-Base interactions energy: -1308.452
where: short stacking energy: -568.324
Base-Backbone interact. energy: -1.398
local terms energy: -647.086496
where:
bonds (distance) C4'-P energy: -119.769
bonds (distance) P-C4' energy: -158.646
flat angles C4'-P-C4' energy: -141.428
flat angles P-C4'-P energy: -71.605
tors. eta vs tors. theta energy: -155.638
Dist. restrs. and SS energy: 3.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1874.297807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.297807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.439161 (E_RNA)
where:
Base-Base interactions energy: -1294.448
where: short stacking energy: -536.636
Base-Backbone interact. energy: 3.447
local terms energy: -586.438877
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -124.136
flat angles C4'-P-C4' energy: -131.071
flat angles P-C4'-P energy: -88.305
tors. eta vs tors. theta energy: -131.234
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2624.652884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.652884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.693732 (E_RNA)
where:
Base-Base interactions energy: -1752.367
where: short stacking energy: -794.201
Base-Backbone interact. energy: -2.718
local terms energy: -870.608440
where:
bonds (distance) C4'-P energy: -171.217
bonds (distance) P-C4' energy: -166.786
flat angles C4'-P-C4' energy: -188.873
flat angles P-C4'-P energy: -125.107
tors. eta vs tors. theta energy: -218.626
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2642.404885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.404885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.812314 (E_RNA)
where:
Base-Base interactions energy: -1762.915
where: short stacking energy: -792.444
Base-Backbone interact. energy: 0.661
local terms energy: -881.558721
where:
bonds (distance) C4'-P energy: -165.018
bonds (distance) P-C4' energy: -165.207
flat angles C4'-P-C4' energy: -190.565
flat angles P-C4'-P energy: -123.326
tors. eta vs tors. theta energy: -237.442
Dist. restrs. and SS energy: 1.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2528.608874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.115181 (E_RNA)
where:
Base-Base interactions energy: -1698.658
where: short stacking energy: -728.074
Base-Backbone interact. energy: 12.997
local terms energy: -847.453864
where:
bonds (distance) C4'-P energy: -158.115
bonds (distance) P-C4' energy: -173.645
flat angles C4'-P-C4' energy: -179.838
flat angles P-C4'-P energy: -110.726
tors. eta vs tors. theta energy: -225.130
Dist. restrs. and SS energy: 4.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2401.724330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.724330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.420757 (E_RNA)
where:
Base-Base interactions energy: -1632.514
where: short stacking energy: -700.990
Base-Backbone interact. energy: -0.301
local terms energy: -771.605859
where:
bonds (distance) C4'-P energy: -145.248
bonds (distance) P-C4' energy: -156.651
flat angles C4'-P-C4' energy: -169.571
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -195.295
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2322.969649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.969649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.918965 (E_RNA)
where:
Base-Base interactions energy: -1569.860
where: short stacking energy: -654.777
Base-Backbone interact. energy: -0.790
local terms energy: -755.268689
where:
bonds (distance) C4'-P energy: -143.863
bonds (distance) P-C4' energy: -170.630
flat angles C4'-P-C4' energy: -163.657
flat angles P-C4'-P energy: -94.686
tors. eta vs tors. theta energy: -182.433
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: 6, replica: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2200.688531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.688531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.977071 (E_RNA)
where:
Base-Base interactions energy: -1486.700
where: short stacking energy: -640.326
Base-Backbone interact. energy: -4.577
local terms energy: -710.700147
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -146.128
flat angles C4'-P-C4' energy: -144.267
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -185.736
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2095.033188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.033188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.042065 (E_RNA)
where:
Base-Base interactions energy: -1393.822
where: short stacking energy: -648.277
Base-Backbone interact. energy: -2.784
local terms energy: -700.435740
where:
bonds (distance) C4'-P energy: -139.782
bonds (distance) P-C4' energy: -135.747
flat angles C4'-P-C4' energy: -145.878
flat angles P-C4'-P energy: -88.197
tors. eta vs tors. theta energy: -190.833
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: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1967.301101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.301101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.013653 (E_RNA)
where:
Base-Base interactions energy: -1294.677
where: short stacking energy: -536.337
Base-Backbone interact. energy: -3.082
local terms energy: -672.255021
where:
bonds (distance) C4'-P energy: -130.692
bonds (distance) P-C4' energy: -143.406
flat angles C4'-P-C4' energy: -149.795
flat angles P-C4'-P energy: -99.343
tors. eta vs tors. theta energy: -149.018
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1932.317593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.317593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.710083 (E_RNA)
where:
Base-Base interactions energy: -1302.826
where: short stacking energy: -554.267
Base-Backbone interact. energy: 0.894
local terms energy: -633.778649
where:
bonds (distance) C4'-P energy: -117.522
bonds (distance) P-C4' energy: -140.508
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -91.572
tors. eta vs tors. theta energy: -146.747
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: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1907.507745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.507745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.007430 (E_RNA)
where:
Base-Base interactions energy: -1314.126
where: short stacking energy: -540.939
Base-Backbone interact. energy: 7.725
local terms energy: -604.606243
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -140.745
flat angles C4'-P-C4' energy: -135.976
flat angles P-C4'-P energy: -92.321
tors. eta vs tors. theta energy: -118.269
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2661.849864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.849864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.846580 (E_RNA)
where:
Base-Base interactions energy: -1804.057
where: short stacking energy: -797.981
Base-Backbone interact. energy: -3.122
local terms energy: -855.666969
where:
bonds (distance) C4'-P energy: -162.322
bonds (distance) P-C4' energy: -159.283
flat angles C4'-P-C4' energy: -180.471
flat angles P-C4'-P energy: -117.067
tors. eta vs tors. theta energy: -236.524
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2659.509486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.509486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.047642 (E_RNA)
where:
Base-Base interactions energy: -1823.715
where: short stacking energy: -796.522
Base-Backbone interact. energy: -0.659
local terms energy: -835.673080
where:
bonds (distance) C4'-P energy: -145.434
bonds (distance) P-C4' energy: -161.505
flat angles C4'-P-C4' energy: -177.659
flat angles P-C4'-P energy: -119.413
tors. eta vs tors. theta energy: -231.663
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2528.223400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.223400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.512733 (E_RNA)
where:
Base-Base interactions energy: -1744.146
where: short stacking energy: -748.205
Base-Backbone interact. energy: 10.414
local terms energy: -800.781060
where:
bonds (distance) C4'-P energy: -138.505
bonds (distance) P-C4' energy: -157.710
flat angles C4'-P-C4' energy: -173.530
flat angles P-C4'-P energy: -110.537
tors. eta vs tors. theta energy: -220.499
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2470.676528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.676528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.623383 (E_RNA)
where:
Base-Base interactions energy: -1666.736
where: short stacking energy: -695.523
Base-Backbone interact. energy: -1.093
local terms energy: -805.794039
where:
bonds (distance) C4'-P energy: -150.502
bonds (distance) P-C4' energy: -144.024
flat angles C4'-P-C4' energy: -189.325
flat angles P-C4'-P energy: -117.716
tors. eta vs tors. theta energy: -204.227
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: 5, replica: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -2351.657130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.657130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.475037 (E_RNA)
where:
Base-Base interactions energy: -1612.089
where: short stacking energy: -690.749
Base-Backbone interact. energy: 4.602
local terms energy: -744.987838
where:
bonds (distance) C4'-P energy: -136.953
bonds (distance) P-C4' energy: -155.149
flat angles C4'-P-C4' energy: -161.395
flat angles P-C4'-P energy: -99.564
tors. eta vs tors. theta energy: -191.927
Dist. restrs. and SS energy: 0.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2170.218642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.218642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.115410 (E_RNA)
where:
Base-Base interactions energy: -1472.888
where: short stacking energy: -621.791
Base-Backbone interact. energy: 1.607
local terms energy: -701.834579
where:
bonds (distance) C4'-P energy: -130.732
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -171.882
flat angles P-C4'-P energy: -112.939
tors. eta vs tors. theta energy: -172.570
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: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2106.305364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.305364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.254183 (E_RNA)
where:
Base-Base interactions energy: -1402.409
where: short stacking energy: -596.027
Base-Backbone interact. energy: 0.632
local terms energy: -705.476742
where:
bonds (distance) C4'-P energy: -132.246
bonds (distance) P-C4' energy: -144.727
flat angles C4'-P-C4' energy: -145.903
flat angles P-C4'-P energy: -117.192
tors. eta vs tors. theta energy: -165.408
Dist. restrs. and SS energy: 0.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1981.638217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.638217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.838058 (E_RNA)
where:
Base-Base interactions energy: -1365.146
where: short stacking energy: -572.312
Base-Backbone interact. energy: 9.162
local terms energy: -627.853458
where:
bonds (distance) C4'-P energy: -120.179
bonds (distance) P-C4' energy: -129.759
flat angles C4'-P-C4' energy: -150.585
flat angles P-C4'-P energy: -79.719
tors. eta vs tors. theta energy: -147.611
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: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1908.557234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.557234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.926559 (E_RNA)
where:
Base-Base interactions energy: -1272.803
where: short stacking energy: -550.139
Base-Backbone interact. energy: 2.089
local terms energy: -645.212712
where:
bonds (distance) C4'-P energy: -136.659
bonds (distance) P-C4' energy: -137.111
flat angles C4'-P-C4' energy: -152.818
flat angles P-C4'-P energy: -88.735
tors. eta vs tors. theta energy: -129.890
Dist. restrs. and SS energy: 7.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1858.868721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.868721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.364849 (E_RNA)
where:
Base-Base interactions energy: -1254.733
where: short stacking energy: -523.635
Base-Backbone interact. energy: -0.462
local terms energy: -608.170013
where:
bonds (distance) C4'-P energy: -114.775
bonds (distance) P-C4' energy: -138.061
flat angles C4'-P-C4' energy: -138.973
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -132.551
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2681.642803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.642803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.368203 (E_RNA)
where:
Base-Base interactions energy: -1834.466
where: short stacking energy: -813.769
Base-Backbone interact. energy: -2.565
local terms energy: -846.337274
where:
bonds (distance) C4'-P energy: -157.109
bonds (distance) P-C4' energy: -164.686
flat angles C4'-P-C4' energy: -180.170
flat angles P-C4'-P energy: -110.608
tors. eta vs tors. theta energy: -233.765
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: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2653.162988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.162988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.032256 (E_RNA)
where:
Base-Base interactions energy: -1830.620
where: short stacking energy: -819.938
Base-Backbone interact. energy: 3.759
local terms energy: -827.170940
where:
bonds (distance) C4'-P energy: -146.225
bonds (distance) P-C4' energy: -167.341
flat angles C4'-P-C4' energy: -176.849
flat angles P-C4'-P energy: -115.852
tors. eta vs tors. theta energy: -220.903
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2529.446206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.446206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.847428 (E_RNA)
where:
Base-Base interactions energy: -1733.911
where: short stacking energy: -734.798
Base-Backbone interact. energy: 2.922
local terms energy: -804.858498
where:
bonds (distance) C4'-P energy: -144.913
bonds (distance) P-C4' energy: -151.032
flat angles C4'-P-C4' energy: -177.721
flat angles P-C4'-P energy: -113.549
tors. eta vs tors. theta energy: -217.644
Dist. restrs. and SS energy: 6.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2403.408827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.408827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.197064 (E_RNA)
where:
Base-Base interactions energy: -1651.353
where: short stacking energy: -713.453
Base-Backbone interact. energy: 5.675
local terms energy: -760.519248
where:
bonds (distance) C4'-P energy: -144.589
bonds (distance) P-C4' energy: -154.085
flat angles C4'-P-C4' energy: -163.665
flat angles P-C4'-P energy: -105.180
tors. eta vs tors. theta energy: -193.001
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: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2353.206868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.206868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.751440 (E_RNA)
where:
Base-Base interactions energy: -1603.831
where: short stacking energy: -691.337
Base-Backbone interact. energy: -2.048
local terms energy: -750.871912
where:
bonds (distance) C4'-P energy: -145.608
bonds (distance) P-C4' energy: -134.825
flat angles C4'-P-C4' energy: -164.289
flat angles P-C4'-P energy: -109.700
tors. eta vs tors. theta energy: -196.451
Dist. restrs. and SS energy: 3.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2205.432517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.432517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.280030 (E_RNA)
where:
Base-Base interactions energy: -1485.855
where: short stacking energy: -645.507
Base-Backbone interact. energy: -3.720
local terms energy: -717.705285
where:
bonds (distance) C4'-P energy: -148.303
bonds (distance) P-C4' energy: -142.458
flat angles C4'-P-C4' energy: -152.019
flat angles P-C4'-P energy: -99.707
tors. eta vs tors. theta energy: -175.218
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2060.343290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.343290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.448390 (E_RNA)
where:
Base-Base interactions energy: -1398.122
where: short stacking energy: -602.848
Base-Backbone interact. energy: -2.002
local terms energy: -663.324353
where:
bonds (distance) C4'-P energy: -111.724
bonds (distance) P-C4' energy: -123.784
flat angles C4'-P-C4' energy: -158.803
flat angles P-C4'-P energy: -94.632
tors. eta vs tors. theta energy: -174.382
Dist. restrs. and SS energy: 3.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1995.186053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.186053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.844137 (E_RNA)
where:
Base-Base interactions energy: -1366.934
where: short stacking energy: -565.900
Base-Backbone interact. energy: 1.044
local terms energy: -631.953711
where:
bonds (distance) C4'-P energy: -123.664
bonds (distance) P-C4' energy: -127.873
flat angles C4'-P-C4' energy: -152.610
flat angles P-C4'-P energy: -84.975
tors. eta vs tors. theta energy: -142.831
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1965.443371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.443371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.980434 (E_RNA)
where:
Base-Base interactions energy: -1319.396
where: short stacking energy: -569.636
Base-Backbone interact. energy: -3.254
local terms energy: -646.331301
where:
bonds (distance) C4'-P energy: -118.897
bonds (distance) P-C4' energy: -144.168
flat angles C4'-P-C4' energy: -146.584
flat angles P-C4'-P energy: -79.536
tors. eta vs tors. theta energy: -157.146
Dist. restrs. and SS energy: 3.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1821.255942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.255942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.485988 (E_RNA)
where:
Base-Base interactions energy: -1265.908
where: short stacking energy: -533.697
Base-Backbone interact. energy: -0.333
local terms energy: -563.244499
where:
bonds (distance) C4'-P energy: -124.325
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -73.812
tors. eta vs tors. theta energy: -117.999
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2663.930064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.930064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.043479 (E_RNA)
where:
Base-Base interactions energy: -1803.282
where: short stacking energy: -804.690
Base-Backbone interact. energy: -2.618
local terms energy: -860.143644
where:
bonds (distance) C4'-P energy: -144.636
bonds (distance) P-C4' energy: -179.072
flat angles C4'-P-C4' energy: -174.992
flat angles P-C4'-P energy: -120.047
tors. eta vs tors. theta energy: -241.395
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: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2581.101461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.101461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.987113 (E_RNA)
where:
Base-Base interactions energy: -1759.735
where: short stacking energy: -794.776
Base-Backbone interact. energy: -5.997
local terms energy: -823.255851
where:
bonds (distance) C4'-P energy: -158.521
bonds (distance) P-C4' energy: -156.899
flat angles C4'-P-C4' energy: -171.734
flat angles P-C4'-P energy: -118.764
tors. eta vs tors. theta energy: -217.338
Dist. restrs. and SS energy: 7.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2499.198526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.198526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.550362 (E_RNA)
where:
Base-Base interactions energy: -1717.688
where: short stacking energy: -744.315
Base-Backbone interact. energy: 2.398
local terms energy: -785.260945
where:
bonds (distance) C4'-P energy: -150.469
bonds (distance) P-C4' energy: -153.849
flat angles C4'-P-C4' energy: -166.791
flat angles P-C4'-P energy: -109.533
tors. eta vs tors. theta energy: -204.619
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: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2450.154464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.154464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.794147 (E_RNA)
where:
Base-Base interactions energy: -1676.346
where: short stacking energy: -690.531
Base-Backbone interact. energy: -0.893
local terms energy: -775.555062
where:
bonds (distance) C4'-P energy: -143.019
bonds (distance) P-C4' energy: -153.844
flat angles C4'-P-C4' energy: -172.870
flat angles P-C4'-P energy: -111.529
tors. eta vs tors. theta energy: -194.293
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: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2360.552081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.552081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.197107 (E_RNA)
where:
Base-Base interactions energy: -1654.631
where: short stacking energy: -714.973
Base-Backbone interact. energy: -2.809
local terms energy: -705.757439
where:
bonds (distance) C4'-P energy: -128.065
bonds (distance) P-C4' energy: -134.364
flat angles C4'-P-C4' energy: -149.415
flat angles P-C4'-P energy: -109.821
tors. eta vs tors. theta energy: -184.091
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2141.346426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.346426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.706805 (E_RNA)
where:
Base-Base interactions energy: -1451.590
where: short stacking energy: -628.253
Base-Backbone interact. energy: 2.454
local terms energy: -694.570830
where:
bonds (distance) C4'-P energy: -131.152
bonds (distance) P-C4' energy: -149.445
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -157.881
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: 49
Temperature: 1.200000
Total energy: -2147.682602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.682602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.685299 (E_RNA)
where:
Base-Base interactions energy: -1463.462
where: short stacking energy: -630.798
Base-Backbone interact. energy: -0.069
local terms energy: -686.154232
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -142.932
flat angles C4'-P-C4' energy: -145.627
flat angles P-C4'-P energy: -94.872
tors. eta vs tors. theta energy: -172.809
Dist. restrs. and SS energy: 2.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2035.070391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.070391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.646932 (E_RNA)
where:
Base-Base interactions energy: -1371.681
where: short stacking energy: -604.211
Base-Backbone interact. energy: -1.974
local terms energy: -662.992637
where:
bonds (distance) C4'-P energy: -127.160
bonds (distance) P-C4' energy: -134.885
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -106.088
tors. eta vs tors. theta energy: -147.710
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: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1972.749687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.749687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.931140 (E_RNA)
where:
Base-Base interactions energy: -1304.222
where: short stacking energy: -559.697
Base-Backbone interact. energy: 1.096
local terms energy: -674.805205
where:
bonds (distance) C4'-P energy: -145.349
bonds (distance) P-C4' energy: -117.222
flat angles C4'-P-C4' energy: -144.643
flat angles P-C4'-P energy: -105.706
tors. eta vs tors. theta energy: -161.885
Dist. restrs. and SS energy: 5.181 (S_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: 49
Temperature: 1.350000
Total energy: -1842.936724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.936724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.916326 (E_RNA)
where:
Base-Base interactions energy: -1209.626
where: short stacking energy: -489.322
Base-Backbone interact. energy: 0.153
local terms energy: -640.443191
where:
bonds (distance) C4'-P energy: -136.459
bonds (distance) P-C4' energy: -153.869
flat angles C4'-P-C4' energy: -139.867
flat angles P-C4'-P energy: -88.593
tors. eta vs tors. theta energy: -121.655
Dist. restrs. and SS energy: 6.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2651.753635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.753635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.365888 (E_RNA)
where:
Base-Base interactions energy: -1782.179
where: short stacking energy: -777.531
Base-Backbone interact. energy: -3.662
local terms energy: -867.525082
where:
bonds (distance) C4'-P energy: -156.585
bonds (distance) P-C4' energy: -185.829
flat angles C4'-P-C4' energy: -177.055
flat angles P-C4'-P energy: -118.138
tors. eta vs tors. theta energy: -229.919
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: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2566.891559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.891559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.141488 (E_RNA)
where:
Base-Base interactions energy: -1727.614
where: short stacking energy: -761.636
Base-Backbone interact. energy: -0.359
local terms energy: -844.168218
where:
bonds (distance) C4'-P energy: -158.120
bonds (distance) P-C4' energy: -168.109
flat angles C4'-P-C4' energy: -182.616
flat angles P-C4'-P energy: -114.785
tors. eta vs tors. theta energy: -220.539
Dist. restrs. and SS energy: 5.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2541.979523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.979523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.630657 (E_RNA)
where:
Base-Base interactions energy: -1737.506
where: short stacking energy: -735.404
Base-Backbone interact. energy: -3.238
local terms energy: -802.886930
where:
bonds (distance) C4'-P energy: -135.239
bonds (distance) P-C4' energy: -160.816
flat angles C4'-P-C4' energy: -173.826
flat angles P-C4'-P energy: -120.294
tors. eta vs tors. theta energy: -212.713
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: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2470.818126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.818126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.012611 (E_RNA)
where:
Base-Base interactions energy: -1717.265
where: short stacking energy: -724.020
Base-Backbone interact. energy: -2.216
local terms energy: -754.531294
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -143.795
flat angles C4'-P-C4' energy: -171.066
flat angles P-C4'-P energy: -114.194
tors. eta vs tors. theta energy: -198.525
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: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2384.511454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.511454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.518881 (E_RNA)
where:
Base-Base interactions energy: -1636.715
where: short stacking energy: -700.842
Base-Backbone interact. energy: -1.733
local terms energy: -747.070930
where:
bonds (distance) C4'-P energy: -151.781
bonds (distance) P-C4' energy: -129.281
flat angles C4'-P-C4' energy: -159.401
flat angles P-C4'-P energy: -110.647
tors. eta vs tors. theta energy: -195.961
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: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2113.845947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.845947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.603921 (E_RNA)
where:
Base-Base interactions energy: -1419.734
where: short stacking energy: -613.350
Base-Backbone interact. energy: 1.023
local terms energy: -696.892374
where:
bonds (distance) C4'-P energy: -124.552
bonds (distance) P-C4' energy: -131.748
flat angles C4'-P-C4' energy: -160.617
flat angles P-C4'-P energy: -111.231
tors. eta vs tors. theta energy: -168.744
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: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2116.937507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.937507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.775126 (E_RNA)
where:
Base-Base interactions energy: -1426.197
where: short stacking energy: -595.293
Base-Backbone interact. energy: -2.050
local terms energy: -691.528518
where:
bonds (distance) C4'-P energy: -121.109
bonds (distance) P-C4' energy: -134.441
flat angles C4'-P-C4' energy: -156.054
flat angles P-C4'-P energy: -102.565
tors. eta vs tors. theta energy: -177.360
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: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1988.653454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.653454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.948040 (E_RNA)
where:
Base-Base interactions energy: -1365.157
where: short stacking energy: -584.966
Base-Backbone interact. energy: -3.054
local terms energy: -622.737434
where:
bonds (distance) C4'-P energy: -129.939
bonds (distance) P-C4' energy: -126.457
flat angles C4'-P-C4' energy: -141.621
flat angles P-C4'-P energy: -82.905
tors. eta vs tors. theta energy: -141.816
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -2016.595126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.595126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.752088 (E_RNA)
where:
Base-Base interactions energy: -1357.803
where: short stacking energy: -583.664
Base-Backbone interact. energy: 2.009
local terms energy: -662.957928
where:
bonds (distance) C4'-P energy: -128.912
bonds (distance) P-C4' energy: -140.216
flat angles C4'-P-C4' energy: -146.778
flat angles P-C4'-P energy: -97.473
tors. eta vs tors. theta energy: -149.579
Dist. restrs. and SS energy: 2.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1848.176624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.176624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.619085 (E_RNA)
where:
Base-Base interactions energy: -1255.692
where: short stacking energy: -521.104
Base-Backbone interact. energy: -3.590
local terms energy: -592.336723
where:
bonds (distance) C4'-P energy: -106.845
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -128.533
flat angles P-C4'-P energy: -89.463
tors. eta vs tors. theta energy: -128.969
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2663.441588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.441588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.192502 (E_RNA)
where:
Base-Base interactions energy: -1817.908
where: short stacking energy: -799.923
Base-Backbone interact. energy: -1.862
local terms energy: -845.422451
where:
bonds (distance) C4'-P energy: -144.567
bonds (distance) P-C4' energy: -160.418
flat angles C4'-P-C4' energy: -183.165
flat angles P-C4'-P energy: -127.046
tors. eta vs tors. theta energy: -230.227
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: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2600.425711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.425711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.621146 (E_RNA)
where:
Base-Base interactions energy: -1737.754
where: short stacking energy: -754.656
Base-Backbone interact. energy: -3.449
local terms energy: -865.418503
where:
bonds (distance) C4'-P energy: -161.814
bonds (distance) P-C4' energy: -161.061
flat angles C4'-P-C4' energy: -193.464
flat angles P-C4'-P energy: -131.185
tors. eta vs tors. theta energy: -217.895
Dist. restrs. and SS energy: 6.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2512.649195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.649195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.748770 (E_RNA)
where:
Base-Base interactions energy: -1684.270
where: short stacking energy: -724.752
Base-Backbone interact. energy: -4.716
local terms energy: -824.762263
where:
bonds (distance) C4'-P energy: -152.300
bonds (distance) P-C4' energy: -172.741
flat angles C4'-P-C4' energy: -176.883
flat angles P-C4'-P energy: -123.804
tors. eta vs tors. theta energy: -199.035
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2460.877363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.877363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.376143 (E_RNA)
where:
Base-Base interactions energy: -1664.257
where: short stacking energy: -720.573
Base-Backbone interact. energy: 0.088
local terms energy: -799.207692
where:
bonds (distance) C4'-P energy: -144.669
bonds (distance) P-C4' energy: -144.620
flat angles C4'-P-C4' energy: -174.785
flat angles P-C4'-P energy: -116.823
tors. eta vs tors. theta energy: -218.310
Dist. restrs. and SS energy: 2.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2383.063819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.063819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.848792 (E_RNA)
where:
Base-Base interactions energy: -1626.667
where: short stacking energy: -698.241
Base-Backbone interact. energy: -1.072
local terms energy: -758.109958
where:
bonds (distance) C4'-P energy: -144.598
bonds (distance) P-C4' energy: -131.513
flat angles C4'-P-C4' energy: -168.290
flat angles P-C4'-P energy: -109.326
tors. eta vs tors. theta energy: -204.383
Dist. restrs. and SS energy: 2.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2142.697496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.261991 (E_RNA)
where:
Base-Base interactions energy: -1395.873
where: short stacking energy: -583.250
Base-Backbone interact. energy: -2.020
local terms energy: -747.368991
where:
bonds (distance) C4'-P energy: -141.930
bonds (distance) P-C4' energy: -160.290
flat angles C4'-P-C4' energy: -162.969
flat angles P-C4'-P energy: -112.115
tors. eta vs tors. theta energy: -170.065
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: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2096.484390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.484390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.392505 (E_RNA)
where:
Base-Base interactions energy: -1411.295
where: short stacking energy: -594.935
Base-Backbone interact. energy: -1.895
local terms energy: -685.202955
where:
bonds (distance) C4'-P energy: -134.337
bonds (distance) P-C4' energy: -142.166
flat angles C4'-P-C4' energy: -157.894
flat angles P-C4'-P energy: -95.078
tors. eta vs tors. theta energy: -155.727
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: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2018.438094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.438094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.736175 (E_RNA)
where:
Base-Base interactions energy: -1352.970
where: short stacking energy: -587.929
Base-Backbone interact. energy: -2.213
local terms energy: -665.552537
where:
bonds (distance) C4'-P energy: -124.049
bonds (distance) P-C4' energy: -110.676
flat angles C4'-P-C4' energy: -157.038
flat angles P-C4'-P energy: -98.352
tors. eta vs tors. theta energy: -175.438
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: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1919.481717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.481717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.401044 (E_RNA)
where:
Base-Base interactions energy: -1320.312
where: short stacking energy: -592.028
Base-Backbone interact. energy: 2.378
local terms energy: -605.466873
where:
bonds (distance) C4'-P energy: -123.348
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -132.097
flat angles P-C4'-P energy: -97.064
tors. eta vs tors. theta energy: -141.536
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1865.987806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.987806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.951783 (E_RNA)
where:
Base-Base interactions energy: -1255.397
where: short stacking energy: -501.513
Base-Backbone interact. energy: -1.156
local terms energy: -612.398663
where:
bonds (distance) C4'-P energy: -130.263
bonds (distance) P-C4' energy: -124.360
flat angles C4'-P-C4' energy: -147.416
flat angles P-C4'-P energy: -76.742
tors. eta vs tors. theta energy: -133.617
Dist. restrs. and SS energy: 2.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2649.506137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.506137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.578846 (E_RNA)
where:
Base-Base interactions energy: -1786.733
where: short stacking energy: -785.798
Base-Backbone interact. energy: 3.971
local terms energy: -867.815984
where:
bonds (distance) C4'-P energy: -155.647
bonds (distance) P-C4' energy: -164.485
flat angles C4'-P-C4' energy: -191.525
flat angles P-C4'-P energy: -126.578
tors. eta vs tors. theta energy: -229.580
Dist. restrs. and SS energy: 1.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2643.451963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.451963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.120885 (E_RNA)
where:
Base-Base interactions energy: -1804.918
where: short stacking energy: -775.453
Base-Backbone interact. energy: -3.371
local terms energy: -838.831908
where:
bonds (distance) C4'-P energy: -147.979
bonds (distance) P-C4' energy: -165.629
flat angles C4'-P-C4' energy: -183.920
flat angles P-C4'-P energy: -111.712
tors. eta vs tors. theta energy: -229.591
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: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2549.496140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.496140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.440623 (E_RNA)
where:
Base-Base interactions energy: -1723.845
where: short stacking energy: -760.436
Base-Backbone interact. energy: -3.490
local terms energy: -823.106400
where:
bonds (distance) C4'-P energy: -153.287
bonds (distance) P-C4' energy: -167.097
flat angles C4'-P-C4' energy: -182.656
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -209.743
Dist. restrs. and SS energy: 0.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2429.771528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.771528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.865524 (E_RNA)
where:
Base-Base interactions energy: -1627.603
where: short stacking energy: -690.667
Base-Backbone interact. energy: -6.032
local terms energy: -798.230523
where:
bonds (distance) C4'-P energy: -138.775
bonds (distance) P-C4' energy: -156.878
flat angles C4'-P-C4' energy: -178.449
flat angles P-C4'-P energy: -128.487
tors. eta vs tors. theta energy: -195.642
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2354.042271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.042271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.237427 (E_RNA)
where:
Base-Base interactions energy: -1619.015
where: short stacking energy: -668.772
Base-Backbone interact. energy: 0.844
local terms energy: -738.066182
where:
bonds (distance) C4'-P energy: -139.018
bonds (distance) P-C4' energy: -146.821
flat angles C4'-P-C4' energy: -159.463
flat angles P-C4'-P energy: -111.049
tors. eta vs tors. theta energy: -181.715
Dist. restrs. and SS energy: 2.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2143.235851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.235851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.671765 (E_RNA)
where:
Base-Base interactions energy: -1424.830
where: short stacking energy: -630.003
Base-Backbone interact. energy: 2.874
local terms energy: -723.715757
where:
bonds (distance) C4'-P energy: -141.551
bonds (distance) P-C4' energy: -141.022
flat angles C4'-P-C4' energy: -160.001
flat angles P-C4'-P energy: -111.104
tors. eta vs tors. theta energy: -170.037
Dist. restrs. and SS energy: 2.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2113.521223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.521223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.162381 (E_RNA)
where:
Base-Base interactions energy: -1439.671
where: short stacking energy: -610.161
Base-Backbone interact. energy: -0.133
local terms energy: -675.358747
where:
bonds (distance) C4'-P energy: -136.101
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -139.602
flat angles P-C4'-P energy: -99.698
tors. eta vs tors. theta energy: -161.506
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: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2098.177781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.177781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.312103 (E_RNA)
where:
Base-Base interactions energy: -1426.798
where: short stacking energy: -623.626
Base-Backbone interact. energy: -1.648
local terms energy: -671.866267
where:
bonds (distance) C4'-P energy: -135.979
bonds (distance) P-C4' energy: -128.541
flat angles C4'-P-C4' energy: -154.665
flat angles P-C4'-P energy: -87.169
tors. eta vs tors. theta energy: -165.512
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1949.984088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.984088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.288292 (E_RNA)
where:
Base-Base interactions energy: -1318.052
where: short stacking energy: -565.844
Base-Backbone interact. energy: 0.805
local terms energy: -637.040929
where:
bonds (distance) C4'-P energy: -123.491
bonds (distance) P-C4' energy: -137.763
flat angles C4'-P-C4' energy: -141.738
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: -147.706
Dist. restrs. and SS energy: 4.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1821.331521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.331521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.163554 (E_RNA)
where:
Base-Base interactions energy: -1241.049
where: short stacking energy: -531.633
Base-Backbone interact. energy: 13.564
local terms energy: -597.678999
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -143.707
flat angles C4'-P-C4' energy: -128.650
flat angles P-C4'-P energy: -72.834
tors. eta vs tors. theta energy: -152.426
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2644.442578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.442578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.814673 (E_RNA)
where:
Base-Base interactions energy: -1790.829
where: short stacking energy: -767.940
Base-Backbone interact. energy: -2.005
local terms energy: -852.980217
where:
bonds (distance) C4'-P energy: -172.828
bonds (distance) P-C4' energy: -156.251
flat angles C4'-P-C4' energy: -187.079
flat angles P-C4'-P energy: -117.274
tors. eta vs tors. theta energy: -219.549
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2605.181719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.181719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.742032 (E_RNA)
where:
Base-Base interactions energy: -1806.431
where: short stacking energy: -744.132
Base-Backbone interact. energy: -3.319
local terms energy: -800.991811
where:
bonds (distance) C4'-P energy: -164.307
bonds (distance) P-C4' energy: -162.424
flat angles C4'-P-C4' energy: -153.137
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -216.406
Dist. restrs. and SS energy: 5.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2456.012838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.012838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.197778 (E_RNA)
where:
Base-Base interactions energy: -1644.230
where: short stacking energy: -740.399
Base-Backbone interact. energy: 3.185
local terms energy: -817.153156
where:
bonds (distance) C4'-P energy: -163.540
bonds (distance) P-C4' energy: -166.150
flat angles C4'-P-C4' energy: -172.318
flat angles P-C4'-P energy: -108.526
tors. eta vs tors. theta energy: -206.618
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: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2469.196695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.196695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.410581 (E_RNA)
where:
Base-Base interactions energy: -1681.993
where: short stacking energy: -715.022
Base-Backbone interact. energy: 3.894
local terms energy: -792.311150
where:
bonds (distance) C4'-P energy: -149.715
bonds (distance) P-C4' energy: -147.640
flat angles C4'-P-C4' energy: -165.232
flat angles P-C4'-P energy: -116.797
tors. eta vs tors. theta energy: -212.928
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2375.153088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.153088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.027912 (E_RNA)
where:
Base-Base interactions energy: -1639.754
where: short stacking energy: -703.356
Base-Backbone interact. energy: -2.675
local terms energy: -735.598834
where:
bonds (distance) C4'-P energy: -120.024
bonds (distance) P-C4' energy: -131.250
flat angles C4'-P-C4' energy: -162.811
flat angles P-C4'-P energy: -122.629
tors. eta vs tors. theta energy: -198.884
Dist. restrs. and SS energy: 2.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -2171.681203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.681203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.606071 (E_RNA)
where:
Base-Base interactions energy: -1444.689
where: short stacking energy: -627.944
Base-Backbone interact. energy: 0.760
local terms energy: -729.677505
where:
bonds (distance) C4'-P energy: -136.425
bonds (distance) P-C4' energy: -145.023
flat angles C4'-P-C4' energy: -154.689
flat angles P-C4'-P energy: -110.544
tors. eta vs tors. theta energy: -182.997
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: 53
Temperature: 1.200000
Total energy: -2046.342079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.342079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.738686 (E_RNA)
where:
Base-Base interactions energy: -1408.369
where: short stacking energy: -581.465
Base-Backbone interact. energy: -0.127
local terms energy: -640.242915
where:
bonds (distance) C4'-P energy: -100.288
bonds (distance) P-C4' energy: -147.171
flat angles C4'-P-C4' energy: -153.689
flat angles P-C4'-P energy: -90.558
tors. eta vs tors. theta energy: -148.537
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2094.182360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.182360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.014594 (E_RNA)
where:
Base-Base interactions energy: -1419.738
where: short stacking energy: -613.546
Base-Backbone interact. energy: -0.373
local terms energy: -675.904298
where:
bonds (distance) C4'-P energy: -123.168
bonds (distance) P-C4' energy: -142.473
flat angles C4'-P-C4' energy: -147.493
flat angles P-C4'-P energy: -97.070
tors. eta vs tors. theta energy: -165.700
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1944.502467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.502467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.826017 (E_RNA)
where:
Base-Base interactions energy: -1287.117
where: short stacking energy: -527.290
Base-Backbone interact. energy: -1.943
local terms energy: -658.765634
where:
bonds (distance) C4'-P energy: -136.509
bonds (distance) P-C4' energy: -133.117
flat angles C4'-P-C4' energy: -141.881
flat angles P-C4'-P energy: -99.986
tors. eta vs tors. theta energy: -147.273
Dist. restrs. and SS energy: 3.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1845.154914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.154914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.713955 (E_RNA)
where:
Base-Base interactions energy: -1278.061
where: short stacking energy: -537.073
Base-Backbone interact. energy: 1.409
local terms energy: -576.061752
where:
bonds (distance) C4'-P energy: -106.693
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -130.798
flat angles P-C4'-P energy: -83.983
tors. eta vs tors. theta energy: -127.666
Dist. restrs. and SS energy: 7.559 (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: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2624.408962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.408962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.894851 (E_RNA)
where:
Base-Base interactions energy: -1772.829
where: short stacking energy: -779.699
Base-Backbone interact. energy: 1.642
local terms energy: -855.707724
where:
bonds (distance) C4'-P energy: -165.247
bonds (distance) P-C4' energy: -167.187
flat angles C4'-P-C4' energy: -182.490
flat angles P-C4'-P energy: -124.587
tors. eta vs tors. theta energy: -216.197
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2626.896591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.896591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.233453 (E_RNA)
where:
Base-Base interactions energy: -1813.983
where: short stacking energy: -777.539
Base-Backbone interact. energy: 2.565
local terms energy: -819.816009
where:
bonds (distance) C4'-P energy: -136.942
bonds (distance) P-C4' energy: -158.093
flat angles C4'-P-C4' energy: -176.584
flat angles P-C4'-P energy: -121.586
tors. eta vs tors. theta energy: -226.610
Dist. restrs. and SS energy: 4.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2536.382029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.382029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.390261 (E_RNA)
where:
Base-Base interactions energy: -1734.383
where: short stacking energy: -743.193
Base-Backbone interact. energy: 5.292
local terms energy: -808.299281
where:
bonds (distance) C4'-P energy: -148.939
bonds (distance) P-C4' energy: -155.893
flat angles C4'-P-C4' energy: -168.503
flat angles P-C4'-P energy: -122.369
tors. eta vs tors. theta energy: -212.594
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2349.281072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.281072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.742823 (E_RNA)
where:
Base-Base interactions energy: -1583.388
where: short stacking energy: -687.421
Base-Backbone interact. energy: -2.799
local terms energy: -765.555101
where:
bonds (distance) C4'-P energy: -145.270
bonds (distance) P-C4' energy: -158.787
flat angles C4'-P-C4' energy: -176.164
flat angles P-C4'-P energy: -100.686
tors. eta vs tors. theta energy: -184.647
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: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2436.831024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.831024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.935662 (E_RNA)
where:
Base-Base interactions energy: -1673.455
where: short stacking energy: -714.049
Base-Backbone interact. energy: -0.025
local terms energy: -765.455292
where:
bonds (distance) C4'-P energy: -138.333
bonds (distance) P-C4' energy: -155.772
flat angles C4'-P-C4' energy: -166.899
flat angles P-C4'-P energy: -108.869
tors. eta vs tors. theta energy: -195.582
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: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2145.918627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.918627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.383268 (E_RNA)
where:
Base-Base interactions energy: -1419.631
where: short stacking energy: -624.513
Base-Backbone interact. energy: 0.102
local terms energy: -728.854605
where:
bonds (distance) C4'-P energy: -130.528
bonds (distance) P-C4' energy: -156.104
flat angles C4'-P-C4' energy: -162.571
flat angles P-C4'-P energy: -103.986
tors. eta vs tors. theta energy: -175.666
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: 54
Temperature: 1.200000
Total energy: -2111.657150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.657150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.131071 (E_RNA)
where:
Base-Base interactions energy: -1424.130
where: short stacking energy: -612.852
Base-Backbone interact. energy: -0.113
local terms energy: -689.887945
where:
bonds (distance) C4'-P energy: -141.014
bonds (distance) P-C4' energy: -135.214
flat angles C4'-P-C4' energy: -154.778
flat angles P-C4'-P energy: -76.233
tors. eta vs tors. theta energy: -182.648
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: 54
Temperature: 1.250000
Total energy: -2008.435317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.435317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.791971 (E_RNA)
where:
Base-Base interactions energy: -1377.986
where: short stacking energy: -578.991
Base-Backbone interact. energy: 3.542
local terms energy: -636.347757
where:
bonds (distance) C4'-P energy: -109.305
bonds (distance) P-C4' energy: -129.899
flat angles C4'-P-C4' energy: -144.094
flat angles P-C4'-P energy: -103.316
tors. eta vs tors. theta energy: -149.735
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1982.745408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.745408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.178820 (E_RNA)
where:
Base-Base interactions energy: -1345.067
where: short stacking energy: -549.369
Base-Backbone interact. energy: -2.566
local terms energy: -636.546330
where:
bonds (distance) C4'-P energy: -119.665
bonds (distance) P-C4' energy: -149.062
flat angles C4'-P-C4' energy: -138.108
flat angles P-C4'-P energy: -92.250
tors. eta vs tors. theta energy: -137.461
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: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1890.949814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.949814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.559399 (E_RNA)
where:
Base-Base interactions energy: -1272.469
where: short stacking energy: -534.748
Base-Backbone interact. energy: -0.398
local terms energy: -620.692234
where:
bonds (distance) C4'-P energy: -127.124
bonds (distance) P-C4' energy: -142.880
flat angles C4'-P-C4' energy: -128.425
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -135.000
Dist. restrs. and SS energy: 2.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2660.973931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.973931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.576729 (E_RNA)
where:
Base-Base interactions energy: -1817.056
where: short stacking energy: -793.100
Base-Backbone interact. energy: -1.973
local terms energy: -842.547490
where:
bonds (distance) C4'-P energy: -133.663
bonds (distance) P-C4' energy: -168.422
flat angles C4'-P-C4' energy: -188.292
flat angles P-C4'-P energy: -130.067
tors. eta vs tors. theta energy: -222.104
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2617.129755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.129755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.827089 (E_RNA)
where:
Base-Base interactions energy: -1790.250
where: short stacking energy: -776.303
Base-Backbone interact. energy: -2.710
local terms energy: -830.866882
where:
bonds (distance) C4'-P energy: -145.905
bonds (distance) P-C4' energy: -168.727
flat angles C4'-P-C4' energy: -191.722
flat angles P-C4'-P energy: -103.461
tors. eta vs tors. theta energy: -221.052
Dist. restrs. and SS energy: 6.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2564.524251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.524251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.733250 (E_RNA)
where:
Base-Base interactions energy: -1724.254
where: short stacking energy: -762.297
Base-Backbone interact. energy: 0.686
local terms energy: -842.164753
where:
bonds (distance) C4'-P energy: -154.128
bonds (distance) P-C4' energy: -158.858
flat angles C4'-P-C4' energy: -188.812
flat angles P-C4'-P energy: -115.755
tors. eta vs tors. theta energy: -224.613
Dist. restrs. and SS energy: 1.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2366.798974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.798974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.754953 (E_RNA)
where:
Base-Base interactions energy: -1598.666
where: short stacking energy: -720.795
Base-Backbone interact. energy: 1.796
local terms energy: -771.885101
where:
bonds (distance) C4'-P energy: -144.679
bonds (distance) P-C4' energy: -150.318
flat angles C4'-P-C4' energy: -162.353
flat angles P-C4'-P energy: -118.663
tors. eta vs tors. theta energy: -195.872
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2384.657014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.657014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.159092 (E_RNA)
where:
Base-Base interactions energy: -1618.976
where: short stacking energy: -671.929
Base-Backbone interact. energy: 1.661
local terms energy: -768.843933
where:
bonds (distance) C4'-P energy: -159.337
bonds (distance) P-C4' energy: -155.253
flat angles C4'-P-C4' energy: -161.654
flat angles P-C4'-P energy: -103.878
tors. eta vs tors. theta energy: -188.721
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2216.440524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.040309 (E_RNA)
where:
Base-Base interactions energy: -1490.206
where: short stacking energy: -644.756
Base-Backbone interact. energy: 0.133
local terms energy: -727.967374
where:
bonds (distance) C4'-P energy: -155.516
bonds (distance) P-C4' energy: -149.244
flat angles C4'-P-C4' energy: -150.823
flat angles P-C4'-P energy: -103.000
tors. eta vs tors. theta energy: -169.385
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: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2088.722207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.722207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.745017 (E_RNA)
where:
Base-Base interactions energy: -1397.869
where: short stacking energy: -619.605
Base-Backbone interact. energy: 0.964
local terms energy: -695.840212
where:
bonds (distance) C4'-P energy: -137.639
bonds (distance) P-C4' energy: -139.240
flat angles C4'-P-C4' energy: -158.781
flat angles P-C4'-P energy: -97.047
tors. eta vs tors. theta energy: -163.133
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: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2042.632350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.632350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.647095 (E_RNA)
where:
Base-Base interactions energy: -1398.258
where: short stacking energy: -587.720
Base-Backbone interact. energy: 5.197
local terms energy: -651.585461
where:
bonds (distance) C4'-P energy: -135.617
bonds (distance) P-C4' energy: -130.970
flat angles C4'-P-C4' energy: -156.514
flat angles P-C4'-P energy: -78.346
tors. eta vs tors. theta energy: -150.139
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: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1969.334745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.334745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.076097 (E_RNA)
where:
Base-Base interactions energy: -1347.648
where: short stacking energy: -553.914
Base-Backbone interact. energy: -2.839
local terms energy: -621.588947
where:
bonds (distance) C4'-P energy: -124.783
bonds (distance) P-C4' energy: -124.853
flat angles C4'-P-C4' energy: -145.165
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -133.088
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: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1769.388487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.388487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.104199 (E_RNA)
where:
Base-Base interactions energy: -1212.905
where: short stacking energy: -503.108
Base-Backbone interact. energy: -3.016
local terms energy: -558.183760
where:
bonds (distance) C4'-P energy: -113.777
bonds (distance) P-C4' energy: -130.182
flat angles C4'-P-C4' energy: -119.950
flat angles P-C4'-P energy: -79.385
tors. eta vs tors. theta energy: -114.890
Dist. restrs. and SS energy: 4.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2684.298407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.298407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.311407 (E_RNA)
where:
Base-Base interactions energy: -1817.005
where: short stacking energy: -794.203
Base-Backbone interact. energy: -2.269
local terms energy: -866.037207
where:
bonds (distance) C4'-P energy: -164.012
bonds (distance) P-C4' energy: -162.555
flat angles C4'-P-C4' energy: -184.714
flat angles P-C4'-P energy: -126.515
tors. eta vs tors. theta energy: -228.241
Dist. restrs. and SS energy: 1.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2628.966556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.966556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.818352 (E_RNA)
where:
Base-Base interactions energy: -1796.909
where: short stacking energy: -755.683
Base-Backbone interact. energy: -2.504
local terms energy: -836.404472
where:
bonds (distance) C4'-P energy: -170.236
bonds (distance) P-C4' energy: -158.569
flat angles C4'-P-C4' energy: -175.490
flat angles P-C4'-P energy: -124.488
tors. eta vs tors. theta energy: -207.622
Dist. restrs. and SS energy: 6.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2555.451047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.451047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.627465 (E_RNA)
where:
Base-Base interactions energy: -1727.854
where: short stacking energy: -783.029
Base-Backbone interact. energy: 0.530
local terms energy: -829.304039
where:
bonds (distance) C4'-P energy: -155.139
bonds (distance) P-C4' energy: -151.134
flat angles C4'-P-C4' energy: -173.606
flat angles P-C4'-P energy: -115.067
tors. eta vs tors. theta energy: -234.358
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: 56
Temperature: 1.050000
Total energy: -2394.228579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.228579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.366686 (E_RNA)
where:
Base-Base interactions energy: -1634.480
where: short stacking energy: -688.784
Base-Backbone interact. energy: -0.286
local terms energy: -761.601151
where:
bonds (distance) C4'-P energy: -140.173
bonds (distance) P-C4' energy: -155.809
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -113.620
tors. eta vs tors. theta energy: -194.814
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2266.711868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.711868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.173588 (E_RNA)
where:
Base-Base interactions energy: -1509.160
where: short stacking energy: -653.791
Base-Backbone interact. energy: -0.171
local terms energy: -758.842903
where:
bonds (distance) C4'-P energy: -151.308
bonds (distance) P-C4' energy: -148.913
flat angles C4'-P-C4' energy: -176.941
flat angles P-C4'-P energy: -101.560
tors. eta vs tors. theta energy: -180.121
Dist. restrs. and SS energy: 1.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2307.546146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.546146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.053367 (E_RNA)
where:
Base-Base interactions energy: -1610.277
where: short stacking energy: -653.753
Base-Backbone interact. energy: -1.843
local terms energy: -696.933748
where:
bonds (distance) C4'-P energy: -133.076
bonds (distance) P-C4' energy: -114.831
flat angles C4'-P-C4' energy: -158.799
flat angles P-C4'-P energy: -98.191
tors. eta vs tors. theta energy: -192.036
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2094.018878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.018878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.455107 (E_RNA)
where:
Base-Base interactions energy: -1423.196
where: short stacking energy: -606.723
Base-Backbone interact. energy: -1.617
local terms energy: -670.642321
where:
bonds (distance) C4'-P energy: -132.722
bonds (distance) P-C4' energy: -149.225
flat angles C4'-P-C4' energy: -156.384
flat angles P-C4'-P energy: -85.768
tors. eta vs tors. theta energy: -146.543
Dist. restrs. and SS energy: 1.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2019.207654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.615351 (E_RNA)
where:
Base-Base interactions energy: -1351.572
where: short stacking energy: -570.040
Base-Backbone interact. energy: 1.790
local terms energy: -670.834144
where:
bonds (distance) C4'-P energy: -135.841
bonds (distance) P-C4' energy: -142.972
flat angles C4'-P-C4' energy: -135.409
flat angles P-C4'-P energy: -109.958
tors. eta vs tors. theta energy: -146.654
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: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1948.719595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.719595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.839380 (E_RNA)
where:
Base-Base interactions energy: -1317.115
where: short stacking energy: -601.953
Base-Backbone interact. energy: 2.682
local terms energy: -638.405918
where:
bonds (distance) C4'-P energy: -113.149
bonds (distance) P-C4' energy: -126.934
flat angles C4'-P-C4' energy: -142.531
flat angles P-C4'-P energy: -87.793
tors. eta vs tors. theta energy: -168.000
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1753.434268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.434268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.465734 (E_RNA)
where:
Base-Base interactions energy: -1172.987
where: short stacking energy: -489.166
Base-Backbone interact. energy: 3.226
local terms energy: -593.705295
where:
bonds (distance) C4'-P energy: -124.992
bonds (distance) P-C4' energy: -118.428
flat angles C4'-P-C4' energy: -146.047
flat angles P-C4'-P energy: -89.529
tors. eta vs tors. theta energy: -114.710
Dist. restrs. and SS energy: 10.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2678.505592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.505592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.147924 (E_RNA)
where:
Base-Base interactions energy: -1800.123
where: short stacking energy: -817.381
Base-Backbone interact. energy: 0.365
local terms energy: -880.389801
where:
bonds (distance) C4'-P energy: -160.234
bonds (distance) P-C4' energy: -166.609
flat angles C4'-P-C4' energy: -188.986
flat angles P-C4'-P energy: -132.590
tors. eta vs tors. theta energy: -231.972
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: 9
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2628.516528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.516528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.039118 (E_RNA)
where:
Base-Base interactions energy: -1795.250
where: short stacking energy: -768.921
Base-Backbone interact. energy: -4.117
local terms energy: -833.671811
where:
bonds (distance) C4'-P energy: -160.139
bonds (distance) P-C4' energy: -147.278
flat angles C4'-P-C4' energy: -177.214
flat angles P-C4'-P energy: -120.978
tors. eta vs tors. theta energy: -228.063
Dist. restrs. and SS energy: 4.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2534.918442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.918442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.971626 (E_RNA)
where:
Base-Base interactions energy: -1718.443
where: short stacking energy: -739.878
Base-Backbone interact. energy: 0.057
local terms energy: -818.585276
where:
bonds (distance) C4'-P energy: -149.549
bonds (distance) P-C4' energy: -162.862
flat angles C4'-P-C4' energy: -178.576
flat angles P-C4'-P energy: -116.741
tors. eta vs tors. theta energy: -210.857
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: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2464.806100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.806100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.251415 (E_RNA)
where:
Base-Base interactions energy: -1682.947
where: short stacking energy: -754.408
Base-Backbone interact. energy: -4.795
local terms energy: -779.508618
where:
bonds (distance) C4'-P energy: -145.228
bonds (distance) P-C4' energy: -155.245
flat angles C4'-P-C4' energy: -170.302
flat angles P-C4'-P energy: -109.184
tors. eta vs tors. theta energy: -199.550
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: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2262.858685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.858685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.084558 (E_RNA)
where:
Base-Base interactions energy: -1537.878
where: short stacking energy: -674.461
Base-Backbone interact. energy: 4.018
local terms energy: -730.224750
where:
bonds (distance) C4'-P energy: -133.876
bonds (distance) P-C4' energy: -148.483
flat angles C4'-P-C4' energy: -172.746
flat angles P-C4'-P energy: -97.411
tors. eta vs tors. theta energy: -177.709
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2314.336138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.336138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.031279 (E_RNA)
where:
Base-Base interactions energy: -1566.691
where: short stacking energy: -680.970
Base-Backbone interact. energy: -0.979
local terms energy: -748.361067
where:
bonds (distance) C4'-P energy: -136.974
bonds (distance) P-C4' energy: -150.458
flat angles C4'-P-C4' energy: -162.188
flat angles P-C4'-P energy: -115.981
tors. eta vs tors. theta energy: -182.760
Dist. restrs. and SS energy: 1.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -2107.574528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.574528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.646024 (E_RNA)
where:
Base-Base interactions energy: -1416.754
where: short stacking energy: -600.726
Base-Backbone interact. energy: -0.678
local terms energy: -694.214058
where:
bonds (distance) C4'-P energy: -146.923
bonds (distance) P-C4' energy: -146.809
flat angles C4'-P-C4' energy: -153.692
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -138.704
Dist. restrs. and SS energy: 4.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2052.391724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.391724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.065581 (E_RNA)
where:
Base-Base interactions energy: -1378.527
where: short stacking energy: -583.421
Base-Backbone interact. energy: -1.851
local terms energy: -674.687015
where:
bonds (distance) C4'-P energy: -117.580
bonds (distance) P-C4' energy: -141.637
flat angles C4'-P-C4' energy: -140.110
flat angles P-C4'-P energy: -111.319
tors. eta vs tors. theta energy: -164.041
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1909.615699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.615699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.915392 (E_RNA)
where:
Base-Base interactions energy: -1291.253
where: short stacking energy: -528.336
Base-Backbone interact. energy: -3.637
local terms energy: -618.024805
where:
bonds (distance) C4'-P energy: -129.787
bonds (distance) P-C4' energy: -132.524
flat angles C4'-P-C4' energy: -159.883
flat angles P-C4'-P energy: -78.291
tors. eta vs tors. theta energy: -117.539
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1811.108569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.108569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.942583 (E_RNA)
where:
Base-Base interactions energy: -1220.706
where: short stacking energy: -526.873
Base-Backbone interact. energy: -2.672
local terms energy: -591.564317
where:
bonds (distance) C4'-P energy: -134.443
bonds (distance) P-C4' energy: -112.369
flat angles C4'-P-C4' energy: -138.799
flat angles P-C4'-P energy: -83.295
tors. eta vs tors. theta energy: -122.658
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2669.866730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.866730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.978466 (E_RNA)
where:
Base-Base interactions energy: -1810.839
where: short stacking energy: -802.526
Base-Backbone interact. energy: -2.182
local terms energy: -858.957654
where:
bonds (distance) C4'-P energy: -173.473
bonds (distance) P-C4' energy: -164.609
flat angles C4'-P-C4' energy: -181.368
flat angles P-C4'-P energy: -117.648
tors. eta vs tors. theta energy: -221.860
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: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2596.257357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.257357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.502060 (E_RNA)
where:
Base-Base interactions energy: -1763.339
where: short stacking energy: -732.187
Base-Backbone interact. energy: -0.087
local terms energy: -837.076275
where:
bonds (distance) C4'-P energy: -149.911
bonds (distance) P-C4' energy: -167.894
flat angles C4'-P-C4' energy: -175.352
flat angles P-C4'-P energy: -131.053
tors. eta vs tors. theta energy: -212.866
Dist. restrs. and SS energy: 4.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2562.837114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.837114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.045815 (E_RNA)
where:
Base-Base interactions energy: -1734.897
where: short stacking energy: -748.425
Base-Backbone interact. energy: 1.613
local terms energy: -830.762527
where:
bonds (distance) C4'-P energy: -162.031
bonds (distance) P-C4' energy: -172.103
flat angles C4'-P-C4' energy: -173.347
flat angles P-C4'-P energy: -110.035
tors. eta vs tors. theta energy: -213.247
Dist. restrs. and SS energy: 1.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2497.033790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.033790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.132687 (E_RNA)
where:
Base-Base interactions energy: -1686.259
where: short stacking energy: -730.193
Base-Backbone interact. energy: -4.599
local terms energy: -807.274411
where:
bonds (distance) C4'-P energy: -147.587
bonds (distance) P-C4' energy: -166.188
flat angles C4'-P-C4' energy: -184.043
flat angles P-C4'-P energy: -103.812
tors. eta vs tors. theta energy: -205.644
Dist. restrs. and SS energy: 1.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2378.833030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.833030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.020987 (E_RNA)
where:
Base-Base interactions energy: -1629.048
where: short stacking energy: -714.064
Base-Backbone interact. energy: 3.396
local terms energy: -756.368361
where:
bonds (distance) C4'-P energy: -150.777
bonds (distance) P-C4' energy: -138.288
flat angles C4'-P-C4' energy: -155.480
flat angles P-C4'-P energy: -113.500
tors. eta vs tors. theta energy: -198.324
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2223.019340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.019340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.798318 (E_RNA)
where:
Base-Base interactions energy: -1505.115
where: short stacking energy: -665.385
Base-Backbone interact. energy: -3.317
local terms energy: -717.367047
where:
bonds (distance) C4'-P energy: -128.526
bonds (distance) P-C4' energy: -123.603
flat angles C4'-P-C4' energy: -167.818
flat angles P-C4'-P energy: -116.462
tors. eta vs tors. theta energy: -180.958
Dist. restrs. and SS energy: 2.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2132.315364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.315364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.449844 (E_RNA)
where:
Base-Base interactions energy: -1460.410
where: short stacking energy: -601.635
Base-Backbone interact. energy: -1.344
local terms energy: -672.696384
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -135.214
flat angles C4'-P-C4' energy: -152.503
flat angles P-C4'-P energy: -95.728
tors. eta vs tors. theta energy: -160.941
Dist. restrs. and SS energy: 2.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2059.522756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.522756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.573691 (E_RNA)
where:
Base-Base interactions energy: -1405.911
where: short stacking energy: -577.563
Base-Backbone interact. energy: 1.327
local terms energy: -656.989468
where:
bonds (distance) C4'-P energy: -126.281
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -160.148
flat angles P-C4'-P energy: -93.454
tors. eta vs tors. theta energy: -155.125
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: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1866.787649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.787649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.119396 (E_RNA)
where:
Base-Base interactions energy: -1280.249
where: short stacking energy: -512.814
Base-Backbone interact. energy: 3.310
local terms energy: -591.180888
where:
bonds (distance) C4'-P energy: -140.131
bonds (distance) P-C4' energy: -96.065
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -100.432
tors. eta vs tors. theta energy: -124.354
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: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1852.872509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.872509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.163101 (E_RNA)
where:
Base-Base interactions energy: -1280.529
where: short stacking energy: -508.011
Base-Backbone interact. energy: -2.534
local terms energy: -572.099634
where:
bonds (distance) C4'-P energy: -115.634
bonds (distance) P-C4' energy: -108.794
flat angles C4'-P-C4' energy: -124.771
flat angles P-C4'-P energy: -91.656
tors. eta vs tors. theta energy: -131.245
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: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2693.203798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.203798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.424741 (E_RNA)
where:
Base-Base interactions energy: -1819.688
where: short stacking energy: -808.718
Base-Backbone interact. energy: -2.805
local terms energy: -872.931452
where:
bonds (distance) C4'-P energy: -154.424
bonds (distance) P-C4' energy: -171.813
flat angles C4'-P-C4' energy: -193.555
flat angles P-C4'-P energy: -126.823
tors. eta vs tors. theta energy: -226.315
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: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2616.906619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.906619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.705274 (E_RNA)
where:
Base-Base interactions energy: -1798.651
where: short stacking energy: -731.446
Base-Backbone interact. energy: -0.305
local terms energy: -822.749403
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -155.840
flat angles C4'-P-C4' energy: -189.143
flat angles P-C4'-P energy: -121.578
tors. eta vs tors. theta energy: -215.809
Dist. restrs. and SS energy: 4.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2498.444522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.444522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.815544 (E_RNA)
where:
Base-Base interactions energy: -1719.096
where: short stacking energy: -726.977
Base-Backbone interact. energy: -1.997
local terms energy: -778.723207
where:
bonds (distance) C4'-P energy: -153.428
bonds (distance) P-C4' energy: -150.971
flat angles C4'-P-C4' energy: -156.290
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -207.711
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: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2483.754681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.754681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.843882 (E_RNA)
where:
Base-Base interactions energy: -1713.876
where: short stacking energy: -716.516
Base-Backbone interact. energy: -4.466
local terms energy: -768.501766
where:
bonds (distance) C4'-P energy: -137.516
bonds (distance) P-C4' energy: -154.205
flat angles C4'-P-C4' energy: -171.719
flat angles P-C4'-P energy: -95.079
tors. eta vs tors. theta energy: -209.983
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: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2371.171192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.171192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.952919 (E_RNA)
where:
Base-Base interactions energy: -1621.272
where: short stacking energy: -693.913
Base-Backbone interact. energy: -1.488
local terms energy: -750.192769
where:
bonds (distance) C4'-P energy: -121.576
bonds (distance) P-C4' energy: -159.405
flat angles C4'-P-C4' energy: -171.963
flat angles P-C4'-P energy: -109.715
tors. eta vs tors. theta energy: -187.534
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2202.200567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.200567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.126550 (E_RNA)
where:
Base-Base interactions energy: -1481.175
where: short stacking energy: -639.966
Base-Backbone interact. energy: -2.796
local terms energy: -721.155516
where:
bonds (distance) C4'-P energy: -141.208
bonds (distance) P-C4' energy: -128.548
flat angles C4'-P-C4' energy: -166.779
flat angles P-C4'-P energy: -95.827
tors. eta vs tors. theta energy: -188.794
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2125.074171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.434190 (E_RNA)
where:
Base-Base interactions energy: -1475.853
where: short stacking energy: -629.869
Base-Backbone interact. energy: -0.170
local terms energy: -651.410754
where:
bonds (distance) C4'-P energy: -132.294
bonds (distance) P-C4' energy: -130.378
flat angles C4'-P-C4' energy: -154.631
flat angles P-C4'-P energy: -87.008
tors. eta vs tors. theta energy: -147.099
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1998.796747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.796747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.542315 (E_RNA)
where:
Base-Base interactions energy: -1341.929
where: short stacking energy: -555.669
Base-Backbone interact. energy: -5.946
local terms energy: -653.667021
where:
bonds (distance) C4'-P energy: -145.761
bonds (distance) P-C4' energy: -134.631
flat angles C4'-P-C4' energy: -134.430
flat angles P-C4'-P energy: -88.450
tors. eta vs tors. theta energy: -150.396
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1888.404147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.404147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.658251 (E_RNA)
where:
Base-Base interactions energy: -1306.994
where: short stacking energy: -555.732
Base-Backbone interact. energy: 5.525
local terms energy: -593.188888
where:
bonds (distance) C4'-P energy: -86.516
bonds (distance) P-C4' energy: -134.828
flat angles C4'-P-C4' energy: -147.174
flat angles P-C4'-P energy: -88.196
tors. eta vs tors. theta energy: -136.474
Dist. restrs. and SS energy: 6.254 (S_DIST_RNA)
chem. 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: -1828.652893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.652893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.239431 (E_RNA)
where:
Base-Base interactions energy: -1261.937
where: short stacking energy: -536.721
Base-Backbone interact. energy: -2.433
local terms energy: -572.868751
where:
bonds (distance) C4'-P energy: -112.174
bonds (distance) P-C4' energy: -97.126
flat angles C4'-P-C4' energy: -144.241
flat angles P-C4'-P energy: -74.092
tors. eta vs tors. theta energy: -145.236
Dist. restrs. and SS energy: 8.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2654.253076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.253076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.828869 (E_RNA)
where:
Base-Base interactions energy: -1808.218
where: short stacking energy: -794.776
Base-Backbone interact. energy: -2.065
local terms energy: -846.546072
where:
bonds (distance) C4'-P energy: -145.439
bonds (distance) P-C4' energy: -170.523
flat angles C4'-P-C4' energy: -180.154
flat angles P-C4'-P energy: -116.439
tors. eta vs tors. theta energy: -233.990
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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2614.380426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.380426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.601459 (E_RNA)
where:
Base-Base interactions energy: -1786.306
where: short stacking energy: -750.457
Base-Backbone interact. energy: 6.232
local terms energy: -838.527493
where:
bonds (distance) C4'-P energy: -159.655
bonds (distance) P-C4' energy: -159.323
flat angles C4'-P-C4' energy: -179.682
flat angles P-C4'-P energy: -123.739
tors. eta vs tors. theta energy: -216.128
Dist. restrs. and SS energy: 4.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2513.183161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.183161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.606134 (E_RNA)
where:
Base-Base interactions energy: -1715.017
where: short stacking energy: -726.021
Base-Backbone interact. energy: -0.372
local terms energy: -800.217427
where:
bonds (distance) C4'-P energy: -156.100
bonds (distance) P-C4' energy: -142.634
flat angles C4'-P-C4' energy: -176.505
flat angles P-C4'-P energy: -116.377
tors. eta vs tors. theta energy: -208.602
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: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2498.992691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.992691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.280351 (E_RNA)
where:
Base-Base interactions energy: -1691.267
where: short stacking energy: -710.111
Base-Backbone interact. energy: 2.009
local terms energy: -811.021888
where:
bonds (distance) C4'-P energy: -140.459
bonds (distance) P-C4' energy: -163.734
flat angles C4'-P-C4' energy: -184.047
flat angles P-C4'-P energy: -107.923
tors. eta vs tors. theta energy: -214.859
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2359.348893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.348893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.646399 (E_RNA)
where:
Base-Base interactions energy: -1607.235
where: short stacking energy: -692.885
Base-Backbone interact. energy: -1.622
local terms energy: -753.789103
where:
bonds (distance) C4'-P energy: -127.794
bonds (distance) P-C4' energy: -141.231
flat angles C4'-P-C4' energy: -177.151
flat angles P-C4'-P energy: -106.999
tors. eta vs tors. theta energy: -200.614
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: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2216.519736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.519736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.166805 (E_RNA)
where:
Base-Base interactions energy: -1503.895
where: short stacking energy: -636.924
Base-Backbone interact. energy: -3.492
local terms energy: -710.778955
where:
bonds (distance) C4'-P energy: -131.571
bonds (distance) P-C4' energy: -145.583
flat angles C4'-P-C4' energy: -149.156
flat angles P-C4'-P energy: -112.638
tors. eta vs tors. theta energy: -171.832
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: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2133.877328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.877328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.546774 (E_RNA)
where:
Base-Base interactions energy: -1446.837
where: short stacking energy: -608.511
Base-Backbone interact. energy: -3.047
local terms energy: -685.662305
where:
bonds (distance) C4'-P energy: -132.211
bonds (distance) P-C4' energy: -132.680
flat angles C4'-P-C4' energy: -153.981
flat angles P-C4'-P energy: -100.703
tors. eta vs tors. theta energy: -166.088
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2046.985558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.985558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.320892 (E_RNA)
where:
Base-Base interactions energy: -1404.503
where: short stacking energy: -579.045
Base-Backbone interact. energy: -0.868
local terms energy: -643.949375
where:
bonds (distance) C4'-P energy: -133.979
bonds (distance) P-C4' energy: -132.300
flat angles C4'-P-C4' energy: -156.220
flat angles P-C4'-P energy: -73.506
tors. eta vs tors. theta energy: -147.943
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: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1888.730258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.730258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.749676 (E_RNA)
where:
Base-Base interactions energy: -1304.654
where: short stacking energy: -530.187
Base-Backbone interact. energy: -1.182
local terms energy: -584.913535
where:
bonds (distance) C4'-P energy: -121.205
bonds (distance) P-C4' energy: -121.274
flat angles C4'-P-C4' energy: -143.817
flat angles P-C4'-P energy: -75.663
tors. eta vs tors. theta energy: -122.955
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: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1850.967109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.967109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.556511 (E_RNA)
where:
Base-Base interactions energy: -1242.209
where: short stacking energy: -538.592
Base-Backbone interact. energy: -3.969
local terms energy: -609.377787
where:
bonds (distance) C4'-P energy: -126.243
bonds (distance) P-C4' energy: -126.748
flat angles C4'-P-C4' energy: -135.249
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -142.308
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2666.781710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.781710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.852926 (E_RNA)
where:
Base-Base interactions energy: -1815.693
where: short stacking energy: -795.366
Base-Backbone interact. energy: 0.273
local terms energy: -853.433552
where:
bonds (distance) C4'-P energy: -156.318
bonds (distance) P-C4' energy: -173.556
flat angles C4'-P-C4' energy: -190.846
flat angles P-C4'-P energy: -121.990
tors. eta vs tors. theta energy: -210.725
Dist. restrs. and SS energy: 2.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2595.051809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.051809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.428419 (E_RNA)
where:
Base-Base interactions energy: -1776.318
where: short stacking energy: -769.438
Base-Backbone interact. energy: -2.174
local terms energy: -820.936330
where:
bonds (distance) C4'-P energy: -158.234
bonds (distance) P-C4' energy: -174.257
flat angles C4'-P-C4' energy: -163.707
flat angles P-C4'-P energy: -114.387
tors. eta vs tors. theta energy: -210.353
Dist. restrs. and SS energy: 4.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2509.508090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.508090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.495057 (E_RNA)
where:
Base-Base interactions energy: -1718.819
where: short stacking energy: -747.375
Base-Backbone interact. energy: -2.698
local terms energy: -789.977989
where:
bonds (distance) C4'-P energy: -165.268
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -162.388
flat angles P-C4'-P energy: -107.262
tors. eta vs tors. theta energy: -209.235
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2483.884874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.884874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.776431 (E_RNA)
where:
Base-Base interactions energy: -1660.039
where: short stacking energy: -721.257
Base-Backbone interact. energy: 3.809
local terms energy: -829.546465
where:
bonds (distance) C4'-P energy: -148.941
bonds (distance) P-C4' energy: -172.179
flat angles C4'-P-C4' energy: -177.089
flat angles P-C4'-P energy: -124.834
tors. eta vs tors. theta energy: -206.504
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2442.216026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.216026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.086109 (E_RNA)
where:
Base-Base interactions energy: -1650.184
where: short stacking energy: -710.942
Base-Backbone interact. energy: -3.191
local terms energy: -789.710955
where:
bonds (distance) C4'-P energy: -135.206
bonds (distance) P-C4' energy: -164.470
flat angles C4'-P-C4' energy: -182.012
flat angles P-C4'-P energy: -112.639
tors. eta vs tors. theta energy: -195.384
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2159.983505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.983505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.070199 (E_RNA)
where:
Base-Base interactions energy: -1432.753
where: short stacking energy: -626.667
Base-Backbone interact. energy: -3.719
local terms energy: -725.597691
where:
bonds (distance) C4'-P energy: -135.644
bonds (distance) P-C4' energy: -134.779
flat angles C4'-P-C4' energy: -147.339
flat angles P-C4'-P energy: -126.347
tors. eta vs tors. theta energy: -181.489
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: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2114.333100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.333100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.796691 (E_RNA)
where:
Base-Base interactions energy: -1413.038
where: short stacking energy: -607.732
Base-Backbone interact. energy: -0.955
local terms energy: -701.803954
where:
bonds (distance) C4'-P energy: -141.930
bonds (distance) P-C4' energy: -131.952
flat angles C4'-P-C4' energy: -152.821
flat angles P-C4'-P energy: -108.728
tors. eta vs tors. theta energy: -166.372
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2052.472544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.472544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.844534 (E_RNA)
where:
Base-Base interactions energy: -1403.844
where: short stacking energy: -601.451
Base-Backbone interact. energy: 0.870
local terms energy: -652.870087
where:
bonds (distance) C4'-P energy: -122.596
bonds (distance) P-C4' energy: -135.340
flat angles C4'-P-C4' energy: -128.580
flat angles P-C4'-P energy: -102.673
tors. eta vs tors. theta energy: -163.681
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1886.225866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.225866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.789021 (E_RNA)
where:
Base-Base interactions energy: -1248.563
where: short stacking energy: -531.431
Base-Backbone interact. energy: -2.671
local terms energy: -638.555029
where:
bonds (distance) C4'-P energy: -149.271
bonds (distance) P-C4' energy: -120.004
flat angles C4'-P-C4' energy: -153.612
flat angles P-C4'-P energy: -87.512
tors. eta vs tors. theta energy: -128.156
Dist. restrs. and SS energy: 3.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1891.650650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.650650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.808922 (E_RNA)
where:
Base-Base interactions energy: -1297.254
where: short stacking energy: -537.219
Base-Backbone interact. energy: -2.367
local terms energy: -594.187078
where:
bonds (distance) C4'-P energy: -121.027
bonds (distance) P-C4' energy: -128.941
flat angles C4'-P-C4' energy: -132.678
flat angles P-C4'-P energy: -68.641
tors. eta vs tors. theta energy: -142.899
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: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2693.679669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.679669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.198840 (E_RNA)
where:
Base-Base interactions energy: -1851.574
where: short stacking energy: -817.205
Base-Backbone interact. energy: -1.650
local terms energy: -842.974956
where:
bonds (distance) C4'-P energy: -153.505
bonds (distance) P-C4' energy: -174.805
flat angles C4'-P-C4' energy: -187.853
flat angles P-C4'-P energy: -100.431
tors. eta vs tors. theta energy: -226.381
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: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2642.176359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.176359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.700929 (E_RNA)
where:
Base-Base interactions energy: -1810.010
where: short stacking energy: -745.564
Base-Backbone interact. energy: -2.469
local terms energy: -834.221351
where:
bonds (distance) C4'-P energy: -143.500
bonds (distance) P-C4' energy: -153.729
flat angles C4'-P-C4' energy: -176.850
flat angles P-C4'-P energy: -144.625
tors. eta vs tors. theta energy: -215.518
Dist. restrs. and SS energy: 4.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2528.785954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.785954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.376606 (E_RNA)
where:
Base-Base interactions energy: -1709.431
where: short stacking energy: -760.405
Base-Backbone interact. energy: -1.389
local terms energy: -820.557129
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -157.699
flat angles C4'-P-C4' energy: -177.948
flat angles P-C4'-P energy: -126.163
tors. eta vs tors. theta energy: -226.997
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: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2458.739356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.739356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.689504 (E_RNA)
where:
Base-Base interactions energy: -1669.752
where: short stacking energy: -722.400
Base-Backbone interact. energy: 1.741
local terms energy: -791.678594
where:
bonds (distance) C4'-P energy: -140.200
bonds (distance) P-C4' energy: -146.990
flat angles C4'-P-C4' energy: -165.326
flat angles P-C4'-P energy: -128.024
tors. eta vs tors. theta energy: -211.140
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2424.907064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.907064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.469864 (E_RNA)
where:
Base-Base interactions energy: -1663.393
where: short stacking energy: -710.706
Base-Backbone interact. energy: -1.513
local terms energy: -761.563760
where:
bonds (distance) C4'-P energy: -130.673
bonds (distance) P-C4' energy: -156.975
flat angles C4'-P-C4' energy: -153.228
flat angles P-C4'-P energy: -109.968
tors. eta vs tors. theta energy: -210.720
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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2183.072186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.072186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.682106 (E_RNA)
where:
Base-Base interactions energy: -1481.212
where: short stacking energy: -610.640
Base-Backbone interact. energy: 1.931
local terms energy: -706.401489
where:
bonds (distance) C4'-P energy: -141.437
bonds (distance) P-C4' energy: -163.255
flat angles C4'-P-C4' energy: -154.777
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -165.886
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: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2150.928612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.928612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.337558 (E_RNA)
where:
Base-Base interactions energy: -1462.043
where: short stacking energy: -618.046
Base-Backbone interact. energy: 0.347
local terms energy: -692.641398
where:
bonds (distance) C4'-P energy: -133.722
bonds (distance) P-C4' energy: -119.823
flat angles C4'-P-C4' energy: -169.132
flat angles P-C4'-P energy: -109.334
tors. eta vs tors. theta energy: -160.630
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2003.539393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.539393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.280264 (E_RNA)
where:
Base-Base interactions energy: -1366.180
where: short stacking energy: -568.813
Base-Backbone interact. energy: -0.328
local terms energy: -638.772524
where:
bonds (distance) C4'-P energy: -117.388
bonds (distance) P-C4' energy: -142.948
flat angles C4'-P-C4' energy: -147.318
flat angles P-C4'-P energy: -102.045
tors. eta vs tors. theta energy: -129.074
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: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1874.572422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.572422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.935418 (E_RNA)
where:
Base-Base interactions energy: -1239.851
where: short stacking energy: -502.904
Base-Backbone interact. energy: -2.683
local terms energy: -645.401710
where:
bonds (distance) C4'-P energy: -137.492
bonds (distance) P-C4' energy: -144.457
flat angles C4'-P-C4' energy: -141.664
flat angles P-C4'-P energy: -103.608
tors. eta vs tors. theta energy: -118.180
Dist. restrs. and SS energy: 13.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1840.908903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.908903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.219490 (E_RNA)
where:
Base-Base interactions energy: -1246.272
where: short stacking energy: -537.902
Base-Backbone interact. energy: 2.269
local terms energy: -600.217176
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -122.736
flat angles C4'-P-C4' energy: -141.598
flat angles P-C4'-P energy: -88.313
tors. eta vs tors. theta energy: -117.472
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: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2690.861223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.861223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.851141 (E_RNA)
where:
Base-Base interactions energy: -1836.866
where: short stacking energy: -794.499
Base-Backbone interact. energy: -2.706
local terms energy: -853.278762
where:
bonds (distance) C4'-P energy: -143.112
bonds (distance) P-C4' energy: -156.071
flat angles C4'-P-C4' energy: -189.282
flat angles P-C4'-P energy: -137.375
tors. eta vs tors. theta energy: -227.439
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2596.576293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.576293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.758246 (E_RNA)
where:
Base-Base interactions energy: -1774.463
where: short stacking energy: -784.529
Base-Backbone interact. energy: -4.601
local terms energy: -821.694407
where:
bonds (distance) C4'-P energy: -140.106
bonds (distance) P-C4' energy: -155.537
flat angles C4'-P-C4' energy: -181.278
flat angles P-C4'-P energy: -117.192
tors. eta vs tors. theta energy: -227.581
Dist. restrs. and SS energy: 4.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2585.158731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.158731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.114739 (E_RNA)
where:
Base-Base interactions energy: -1814.865
where: short stacking energy: -750.254
Base-Backbone interact. energy: -2.774
local terms energy: -773.475976
where:
bonds (distance) C4'-P energy: -123.900
bonds (distance) P-C4' energy: -152.959
flat angles C4'-P-C4' energy: -182.558
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -206.793
Dist. restrs. and SS energy: 5.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2459.017835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.017835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.709751 (E_RNA)
where:
Base-Base interactions energy: -1664.925
where: short stacking energy: -729.318
Base-Backbone interact. energy: -0.578
local terms energy: -795.206355
where:
bonds (distance) C4'-P energy: -138.966
bonds (distance) P-C4' energy: -149.275
flat angles C4'-P-C4' energy: -179.785
flat angles P-C4'-P energy: -121.292
tors. eta vs tors. theta energy: -205.888
Dist. restrs. and SS energy: 1.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2317.241282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.241282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.484928 (E_RNA)
where:
Base-Base interactions energy: -1572.204
where: short stacking energy: -681.275
Base-Backbone interact. energy: -2.902
local terms energy: -743.378561
where:
bonds (distance) C4'-P energy: -153.464
bonds (distance) P-C4' energy: -118.966
flat angles C4'-P-C4' energy: -161.577
flat angles P-C4'-P energy: -116.417
tors. eta vs tors. theta energy: -192.955
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: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2194.167644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.167644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.523770 (E_RNA)
where:
Base-Base interactions energy: -1467.632
where: short stacking energy: -645.451
Base-Backbone interact. energy: 1.276
local terms energy: -730.167424
where:
bonds (distance) C4'-P energy: -146.775
bonds (distance) P-C4' energy: -150.389
flat angles C4'-P-C4' energy: -159.751
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -183.055
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: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2103.852691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.852691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.388713 (E_RNA)
where:
Base-Base interactions energy: -1396.942
where: short stacking energy: -600.340
Base-Backbone interact. energy: 2.600
local terms energy: -712.046013
where:
bonds (distance) C4'-P energy: -129.241
bonds (distance) P-C4' energy: -146.833
flat angles C4'-P-C4' energy: -161.171
flat angles P-C4'-P energy: -107.479
tors. eta vs tors. theta energy: -167.323
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2029.470232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.470232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.324640 (E_RNA)
where:
Base-Base interactions energy: -1360.387
where: short stacking energy: -591.404
Base-Backbone interact. energy: 0.339
local terms energy: -671.276694
where:
bonds (distance) C4'-P energy: -145.821
bonds (distance) P-C4' energy: -129.702
flat angles C4'-P-C4' energy: -144.701
flat angles P-C4'-P energy: -82.825
tors. eta vs tors. theta energy: -168.228
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: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1927.031781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.031781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.737600 (E_RNA)
where:
Base-Base interactions energy: -1303.306
where: short stacking energy: -550.200
Base-Backbone interact. energy: -1.461
local terms energy: -625.969783
where:
bonds (distance) C4'-P energy: -117.004
bonds (distance) P-C4' energy: -147.353
flat angles C4'-P-C4' energy: -150.121
flat angles P-C4'-P energy: -70.173
tors. eta vs tors. theta energy: -141.319
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1867.487439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.487439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.819488 (E_RNA)
where:
Base-Base interactions energy: -1286.939
where: short stacking energy: -570.179
Base-Backbone interact. energy: 6.091
local terms energy: -590.971072
where:
bonds (distance) C4'-P energy: -127.569
bonds (distance) P-C4' energy: -133.733
flat angles C4'-P-C4' energy: -144.100
flat angles P-C4'-P energy: -55.864
tors. eta vs tors. theta energy: -129.704
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2689.761911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.761911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.434181 (E_RNA)
where:
Base-Base interactions energy: -1826.686
where: short stacking energy: -806.795
Base-Backbone interact. energy: -4.515
local terms energy: -861.232637
where:
bonds (distance) C4'-P energy: -162.883
bonds (distance) P-C4' energy: -155.828
flat angles C4'-P-C4' energy: -184.568
flat angles P-C4'-P energy: -129.341
tors. eta vs tors. theta energy: -228.612
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2635.217945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.217945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.558876 (E_RNA)
where:
Base-Base interactions energy: -1819.538
where: short stacking energy: -773.928
Base-Backbone interact. energy: 0.543
local terms energy: -818.563917
where:
bonds (distance) C4'-P energy: -142.811
bonds (distance) P-C4' energy: -165.332
flat angles C4'-P-C4' energy: -177.251
flat angles P-C4'-P energy: -117.383
tors. eta vs tors. theta energy: -215.788
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: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2539.164354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.164354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.579968 (E_RNA)
where:
Base-Base interactions energy: -1726.419
where: short stacking energy: -736.897
Base-Backbone interact. energy: -3.965
local terms energy: -812.195948
where:
bonds (distance) C4'-P energy: -158.791
bonds (distance) P-C4' energy: -158.908
flat angles C4'-P-C4' energy: -171.150
flat angles P-C4'-P energy: -120.822
tors. eta vs tors. theta energy: -202.525
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2452.370421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.370421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.953949 (E_RNA)
where:
Base-Base interactions energy: -1657.302
where: short stacking energy: -724.353
Base-Backbone interact. energy: -1.370
local terms energy: -795.281486
where:
bonds (distance) C4'-P energy: -150.150
bonds (distance) P-C4' energy: -154.212
flat angles C4'-P-C4' energy: -183.717
flat angles P-C4'-P energy: -107.203
tors. eta vs tors. theta energy: -200.000
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2341.716112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.716112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.849437 (E_RNA)
where:
Base-Base interactions energy: -1580.990
where: short stacking energy: -666.018
Base-Backbone interact. energy: 5.695
local terms energy: -769.553546
where:
bonds (distance) C4'-P energy: -141.307
bonds (distance) P-C4' energy: -161.473
flat angles C4'-P-C4' energy: -167.144
flat angles P-C4'-P energy: -114.554
tors. eta vs tors. theta energy: -185.075
Dist. restrs. and SS energy: 3.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2189.385745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.385745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.253313 (E_RNA)
where:
Base-Base interactions energy: -1465.916
where: short stacking energy: -635.667
Base-Backbone interact. energy: -1.356
local terms energy: -723.980946
where:
bonds (distance) C4'-P energy: -145.658
bonds (distance) P-C4' energy: -148.115
flat angles C4'-P-C4' energy: -160.519
flat angles P-C4'-P energy: -89.621
tors. eta vs tors. theta energy: -180.068
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: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2136.563233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.563233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.118870 (E_RNA)
where:
Base-Base interactions energy: -1411.611
where: short stacking energy: -615.717
Base-Backbone interact. energy: -1.167
local terms energy: -726.340702
where:
bonds (distance) C4'-P energy: -146.654
bonds (distance) P-C4' energy: -141.013
flat angles C4'-P-C4' energy: -149.995
flat angles P-C4'-P energy: -101.384
tors. eta vs tors. theta energy: -187.295
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2042.185069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.185069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.698094 (E_RNA)
where:
Base-Base interactions energy: -1384.225
where: short stacking energy: -615.119
Base-Backbone interact. energy: 1.164
local terms energy: -664.637056
where:
bonds (distance) C4'-P energy: -139.603
bonds (distance) P-C4' energy: -117.494
flat angles C4'-P-C4' energy: -155.728
flat angles P-C4'-P energy: -88.058
tors. eta vs tors. theta energy: -163.755
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: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1966.908504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.908504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.649082 (E_RNA)
where:
Base-Base interactions energy: -1374.821
where: short stacking energy: -590.289
Base-Backbone interact. energy: -3.291
local terms energy: -591.537553
where:
bonds (distance) C4'-P energy: -123.877
bonds (distance) P-C4' energy: -117.644
flat angles C4'-P-C4' energy: -122.115
flat angles P-C4'-P energy: -85.692
tors. eta vs tors. theta energy: -142.210
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1802.139459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.085968 (E_RNA)
where:
Base-Base interactions energy: -1204.557
where: short stacking energy: -487.707
Base-Backbone interact. energy: 1.157
local terms energy: -603.685123
where:
bonds (distance) C4'-P energy: -115.598
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -145.391
flat angles P-C4'-P energy: -86.991
tors. eta vs tors. theta energy: -126.597
Dist. restrs. and SS energy: 4.947 (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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2731.756043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.756043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.592082 (E_RNA)
where:
Base-Base interactions energy: -1891.550
where: short stacking energy: -794.577
Base-Backbone interact. energy: -3.063
local terms energy: -839.978871
where:
bonds (distance) C4'-P energy: -154.276
bonds (distance) P-C4' energy: -162.804
flat angles C4'-P-C4' energy: -178.822
flat angles P-C4'-P energy: -113.724
tors. eta vs tors. theta energy: -230.352
Dist. restrs. and SS energy: 2.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2624.306358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.306358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.220720 (E_RNA)
where:
Base-Base interactions energy: -1759.568
where: short stacking energy: -781.823
Base-Backbone interact. energy: -1.868
local terms energy: -865.784974
where:
bonds (distance) C4'-P energy: -171.482
bonds (distance) P-C4' energy: -164.958
flat angles C4'-P-C4' energy: -177.670
flat angles P-C4'-P energy: -117.396
tors. eta vs tors. theta energy: -234.279
Dist. restrs. and SS energy: 2.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2548.798536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.798536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.362061 (E_RNA)
where:
Base-Base interactions energy: -1732.516
where: short stacking energy: -766.364
Base-Backbone interact. energy: -2.698
local terms energy: -819.147859
where:
bonds (distance) C4'-P energy: -158.523
bonds (distance) P-C4' energy: -143.322
flat angles C4'-P-C4' energy: -178.713
flat angles P-C4'-P energy: -108.774
tors. eta vs tors. theta energy: -229.816
Dist. restrs. and SS energy: 5.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2383.874279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.874279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.380277 (E_RNA)
where:
Base-Base interactions energy: -1614.117
where: short stacking energy: -691.966
Base-Backbone interact. energy: -2.732
local terms energy: -768.531228
where:
bonds (distance) C4'-P energy: -139.707
bonds (distance) P-C4' energy: -137.406
flat angles C4'-P-C4' energy: -160.088
flat angles P-C4'-P energy: -136.166
tors. eta vs tors. theta energy: -195.164
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2364.520542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.520542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.228378 (E_RNA)
where:
Base-Base interactions energy: -1610.032
where: short stacking energy: -702.737
Base-Backbone interact. energy: -1.932
local terms energy: -755.264538
where:
bonds (distance) C4'-P energy: -149.153
bonds (distance) P-C4' energy: -141.001
flat angles C4'-P-C4' energy: -158.876
flat angles P-C4'-P energy: -107.207
tors. eta vs tors. theta energy: -199.028
Dist. restrs. and SS energy: 2.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2205.139249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.139249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.527501 (E_RNA)
where:
Base-Base interactions energy: -1495.736
where: short stacking energy: -628.944
Base-Backbone interact. energy: 2.845
local terms energy: -714.637120
where:
bonds (distance) C4'-P energy: -122.937
bonds (distance) P-C4' energy: -146.057
flat angles C4'-P-C4' energy: -155.282
flat angles P-C4'-P energy: -104.813
tors. eta vs tors. theta energy: -185.547
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: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2098.290052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.290052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.072429 (E_RNA)
where:
Base-Base interactions energy: -1415.316
where: short stacking energy: -632.890
Base-Backbone interact. energy: -3.959
local terms energy: -680.796783
where:
bonds (distance) C4'-P energy: -137.972
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -157.241
flat angles P-C4'-P energy: -76.924
tors. eta vs tors. theta energy: -165.969
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: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1985.939084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.939084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.996226 (E_RNA)
where:
Base-Base interactions energy: -1346.214
where: short stacking energy: -576.888
Base-Backbone interact. energy: -2.880
local terms energy: -642.901299
where:
bonds (distance) C4'-P energy: -129.910
bonds (distance) P-C4' energy: -145.840
flat angles C4'-P-C4' energy: -130.562
flat angles P-C4'-P energy: -90.565
tors. eta vs tors. theta energy: -146.024
Dist. restrs. and SS energy: 6.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1936.526706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.526706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.882907 (E_RNA)
where:
Base-Base interactions energy: -1360.140
where: short stacking energy: -565.099
Base-Backbone interact. energy: 9.573
local terms energy: -588.315800
where:
bonds (distance) C4'-P energy: -113.559
bonds (distance) P-C4' energy: -130.533
flat angles C4'-P-C4' energy: -150.017
flat angles P-C4'-P energy: -56.819
tors. eta vs tors. theta energy: -137.389
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1795.545566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.545566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.918493 (E_RNA)
where:
Base-Base interactions energy: -1191.933
where: short stacking energy: -504.247
Base-Backbone interact. energy: -0.893
local terms energy: -612.092505
where:
bonds (distance) C4'-P energy: -124.416
bonds (distance) P-C4' energy: -147.729
flat angles C4'-P-C4' energy: -139.028
flat angles P-C4'-P energy: -82.111
tors. eta vs tors. theta energy: -118.808
Dist. restrs. and SS energy: 9.373 (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: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2739.365499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.365499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.719601 (E_RNA)
where:
Base-Base interactions energy: -1857.944
where: short stacking energy: -794.204
Base-Backbone interact. energy: -4.174
local terms energy: -879.601791
where:
bonds (distance) C4'-P energy: -171.131
bonds (distance) P-C4' energy: -165.009
flat angles C4'-P-C4' energy: -186.708
flat angles P-C4'-P energy: -121.873
tors. eta vs tors. theta energy: -234.881
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: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2645.252471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.252471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.983108 (E_RNA)
where:
Base-Base interactions energy: -1838.496
where: short stacking energy: -797.240
Base-Backbone interact. energy: -1.796
local terms energy: -806.690841
where:
bonds (distance) C4'-P energy: -134.913
bonds (distance) P-C4' energy: -157.225
flat angles C4'-P-C4' energy: -172.143
flat angles P-C4'-P energy: -113.328
tors. eta vs tors. theta energy: -229.082
Dist. restrs. and SS energy: 1.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2556.866198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.866198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.015506 (E_RNA)
where:
Base-Base interactions energy: -1725.285
where: short stacking energy: -757.197
Base-Backbone interact. energy: 4.162
local terms energy: -841.892599
where:
bonds (distance) C4'-P energy: -153.743
bonds (distance) P-C4' energy: -154.097
flat angles C4'-P-C4' energy: -180.451
flat angles P-C4'-P energy: -128.435
tors. eta vs tors. theta energy: -225.167
Dist. restrs. and SS energy: 6.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2424.041199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.041199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.735641 (E_RNA)
where:
Base-Base interactions energy: -1661.900
where: short stacking energy: -705.508
Base-Backbone interact. energy: -3.422
local terms energy: -760.413795
where:
bonds (distance) C4'-P energy: -141.029
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -153.746
flat angles P-C4'-P energy: -115.296
tors. eta vs tors. theta energy: -206.893
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: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2327.307205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.307205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.557335 (E_RNA)
where:
Base-Base interactions energy: -1569.688
where: short stacking energy: -653.822
Base-Backbone interact. energy: 4.832
local terms energy: -763.700953
where:
bonds (distance) C4'-P energy: -157.698
bonds (distance) P-C4' energy: -146.650
flat angles C4'-P-C4' energy: -167.277
flat angles P-C4'-P energy: -97.936
tors. eta vs tors. theta energy: -194.139
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2161.997950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.997950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.920437 (E_RNA)
where:
Base-Base interactions energy: -1437.873
where: short stacking energy: -618.658
Base-Backbone interact. energy: -1.131
local terms energy: -724.915776
where:
bonds (distance) C4'-P energy: -125.519
bonds (distance) P-C4' energy: -143.186
flat angles C4'-P-C4' energy: -160.084
flat angles P-C4'-P energy: -116.066
tors. eta vs tors. theta energy: -180.061
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: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2089.753339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.753339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.554578 (E_RNA)
where:
Base-Base interactions energy: -1409.317
where: short stacking energy: -601.740
Base-Backbone interact. energy: -2.430
local terms energy: -682.806954
where:
bonds (distance) C4'-P energy: -155.905
bonds (distance) P-C4' energy: -135.760
flat angles C4'-P-C4' energy: -128.732
flat angles P-C4'-P energy: -104.814
tors. eta vs tors. theta energy: -157.596
Dist. restrs. and SS energy: 4.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -2035.515376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.515376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.250428 (E_RNA)
where:
Base-Base interactions energy: -1383.313
where: short stacking energy: -576.410
Base-Backbone interact. energy: 0.849
local terms energy: -655.787245
where:
bonds (distance) C4'-P energy: -126.263
bonds (distance) P-C4' energy: -144.898
flat angles C4'-P-C4' energy: -151.533
flat angles P-C4'-P energy: -72.946
tors. eta vs tors. theta energy: -160.147
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: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1963.228460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.228460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.147771 (E_RNA)
where:
Base-Base interactions energy: -1320.882
where: short stacking energy: -545.977
Base-Backbone interact. energy: 1.588
local terms energy: -645.853751
where:
bonds (distance) C4'-P energy: -144.595
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -153.418
flat angles P-C4'-P energy: -77.858
tors. eta vs tors. theta energy: -141.414
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: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1785.383290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.383290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.908750 (E_RNA)
where:
Base-Base interactions energy: -1230.331
where: short stacking energy: -510.626
Base-Backbone interact. energy: 9.381
local terms energy: -567.959350
where:
bonds (distance) C4'-P energy: -126.833
bonds (distance) P-C4' energy: -107.252
flat angles C4'-P-C4' energy: -124.823
flat angles P-C4'-P energy: -87.939
tors. eta vs tors. theta energy: -121.112
Dist. restrs. and SS energy: 3.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2730.375596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.375596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.493899 (E_RNA)
where:
Base-Base interactions energy: -1867.279
where: short stacking energy: -818.961
Base-Backbone interact. energy: -3.246
local terms energy: -861.968882
where:
bonds (distance) C4'-P energy: -162.691
bonds (distance) P-C4' energy: -165.081
flat angles C4'-P-C4' energy: -184.101
flat angles P-C4'-P energy: -112.308
tors. eta vs tors. theta energy: -237.788
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: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2651.792638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.792638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.581168 (E_RNA)
where:
Base-Base interactions energy: -1822.113
where: short stacking energy: -797.454
Base-Backbone interact. energy: -2.292
local terms energy: -830.176430
where:
bonds (distance) C4'-P energy: -157.941
bonds (distance) P-C4' energy: -153.688
flat angles C4'-P-C4' energy: -178.970
flat angles P-C4'-P energy: -116.698
tors. eta vs tors. theta energy: -222.879
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: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2553.738903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.738903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.620722 (E_RNA)
where:
Base-Base interactions energy: -1736.615
where: short stacking energy: -731.118
Base-Backbone interact. energy: 0.683
local terms energy: -822.688870
where:
bonds (distance) C4'-P energy: -153.300
bonds (distance) P-C4' energy: -149.976
flat angles C4'-P-C4' energy: -184.835
flat angles P-C4'-P energy: -111.579
tors. eta vs tors. theta energy: -222.998
Dist. restrs. and SS energy: 4.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2417.767558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.767558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.842953 (E_RNA)
where:
Base-Base interactions energy: -1642.187
where: short stacking energy: -681.721
Base-Backbone interact. energy: -0.888
local terms energy: -777.768245
where:
bonds (distance) C4'-P energy: -152.558
bonds (distance) P-C4' energy: -158.117
flat angles C4'-P-C4' energy: -165.736
flat angles P-C4'-P energy: -111.502
tors. eta vs tors. theta energy: -189.855
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: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2283.394458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.394458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.840251 (E_RNA)
where:
Base-Base interactions energy: -1549.868
where: short stacking energy: -682.995
Base-Backbone interact. energy: -1.073
local terms energy: -733.899239
where:
bonds (distance) C4'-P energy: -136.590
bonds (distance) P-C4' energy: -156.902
flat angles C4'-P-C4' energy: -166.153
flat angles P-C4'-P energy: -79.273
tors. eta vs tors. theta energy: -194.981
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: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2183.070353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.070353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.588837 (E_RNA)
where:
Base-Base interactions energy: -1461.591
where: short stacking energy: -645.735
Base-Backbone interact. energy: -1.790
local terms energy: -721.207314
where:
bonds (distance) C4'-P energy: -138.100
bonds (distance) P-C4' energy: -148.863
flat angles C4'-P-C4' energy: -166.175
flat angles P-C4'-P energy: -104.034
tors. eta vs tors. theta energy: -164.035
Dist. restrs. and SS energy: 1.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2096.728885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.728885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.699210 (E_RNA)
where:
Base-Base interactions energy: -1414.367
where: short stacking energy: -606.960
Base-Backbone interact. energy: -4.191
local terms energy: -680.140658
where:
bonds (distance) C4'-P energy: -135.034
bonds (distance) P-C4' energy: -147.751
flat angles C4'-P-C4' energy: -146.256
flat angles P-C4'-P energy: -97.455
tors. eta vs tors. theta energy: -153.644
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: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2026.579475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.579475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.667325 (E_RNA)
where:
Base-Base interactions energy: -1378.328
where: short stacking energy: -576.124
Base-Backbone interact. energy: 10.093
local terms energy: -660.432283
where:
bonds (distance) C4'-P energy: -109.841
bonds (distance) P-C4' energy: -149.519
flat angles C4'-P-C4' energy: -165.818
flat angles P-C4'-P energy: -93.732
tors. eta vs tors. theta energy: -141.523
Dist. restrs. and SS energy: 2.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1940.505398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.505398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.795206 (E_RNA)
where:
Base-Base interactions energy: -1316.721
where: short stacking energy: -544.607
Base-Backbone interact. energy: 1.225
local terms energy: -628.299210
where:
bonds (distance) C4'-P energy: -125.201
bonds (distance) P-C4' energy: -156.740
flat angles C4'-P-C4' energy: -135.624
flat angles P-C4'-P energy: -81.778
tors. eta vs tors. theta energy: -128.957
Dist. restrs. and SS energy: 3.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1862.500061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.500061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.413904 (E_RNA)
where:
Base-Base interactions energy: -1259.853
where: short stacking energy: -529.722
Base-Backbone interact. energy: 0.487
local terms energy: -614.048161
where:
bonds (distance) C4'-P energy: -105.190
bonds (distance) P-C4' energy: -124.320
flat angles C4'-P-C4' energy: -142.082
flat angles P-C4'-P energy: -96.404
tors. eta vs tors. theta energy: -146.053
Dist. restrs. and SS energy: 10.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2769.355299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.355299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.562421 (E_RNA)
where:
Base-Base interactions energy: -1872.500
where: short stacking energy: -808.892
Base-Backbone interact. energy: -4.216
local terms energy: -893.846560
where:
bonds (distance) C4'-P energy: -162.571
bonds (distance) P-C4' energy: -167.631
flat angles C4'-P-C4' energy: -190.942
flat angles P-C4'-P energy: -146.638
tors. eta vs tors. theta energy: -226.065
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: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2643.833593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.833593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.870722 (E_RNA)
where:
Base-Base interactions energy: -1797.013
where: short stacking energy: -759.464
Base-Backbone interact. energy: -2.331
local terms energy: -846.527009
where:
bonds (distance) C4'-P energy: -170.427
bonds (distance) P-C4' energy: -160.935
flat angles C4'-P-C4' energy: -181.242
flat angles P-C4'-P energy: -120.427
tors. eta vs tors. theta energy: -213.496
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: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2561.148408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.148408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.212530 (E_RNA)
where:
Base-Base interactions energy: -1732.726
where: short stacking energy: -770.460
Base-Backbone interact. energy: -1.792
local terms energy: -830.694905
where:
bonds (distance) C4'-P energy: -150.966
bonds (distance) P-C4' energy: -164.203
flat angles C4'-P-C4' energy: -173.877
flat angles P-C4'-P energy: -117.271
tors. eta vs tors. theta energy: -224.378
Dist. restrs. and SS energy: 4.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2464.661202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.661202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.737704 (E_RNA)
where:
Base-Base interactions energy: -1679.970
where: short stacking energy: -730.863
Base-Backbone interact. energy: -3.134
local terms energy: -784.633445
where:
bonds (distance) C4'-P energy: -154.021
bonds (distance) P-C4' energy: -147.553
flat angles C4'-P-C4' energy: -163.145
flat angles P-C4'-P energy: -120.415
tors. eta vs tors. theta energy: -199.499
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: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2287.781566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.781566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.251914 (E_RNA)
where:
Base-Base interactions energy: -1572.776
where: short stacking energy: -629.985
Base-Backbone interact. energy: -2.973
local terms energy: -713.502689
where:
bonds (distance) C4'-P energy: -134.938
bonds (distance) P-C4' energy: -152.114
flat angles C4'-P-C4' energy: -157.815
flat angles P-C4'-P energy: -98.803
tors. eta vs tors. theta energy: -169.833
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2169.045630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.045630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.369039 (E_RNA)
where:
Base-Base interactions energy: -1442.641
where: short stacking energy: -660.750
Base-Backbone interact. energy: -0.950
local terms energy: -727.778160
where:
bonds (distance) C4'-P energy: -148.279
bonds (distance) P-C4' energy: -129.410
flat angles C4'-P-C4' energy: -149.289
flat angles P-C4'-P energy: -115.544
tors. eta vs tors. theta energy: -185.257
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: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2070.258903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.258903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.065651 (E_RNA)
where:
Base-Base interactions energy: -1389.722
where: short stacking energy: -600.067
Base-Backbone interact. energy: -2.741
local terms energy: -680.603203
where:
bonds (distance) C4'-P energy: -138.851
bonds (distance) P-C4' energy: -150.010
flat angles C4'-P-C4' energy: -146.431
flat angles P-C4'-P energy: -91.238
tors. eta vs tors. theta energy: -154.074
Dist. restrs. and SS energy: 2.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2026.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.302968 (E_RNA)
where:
Base-Base interactions energy: -1388.361
where: short stacking energy: -593.751
Base-Backbone interact. energy: -1.860
local terms energy: -641.081914
where:
bonds (distance) C4'-P energy: -131.977
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -159.697
flat angles P-C4'-P energy: -83.020
tors. eta vs tors. theta energy: -142.018
Dist. restrs. and SS energy: 4.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1908.005903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.005903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.476511 (E_RNA)
where:
Base-Base interactions energy: -1292.660
where: short stacking energy: -534.708
Base-Backbone interact. energy: 1.905
local terms energy: -619.722175
where:
bonds (distance) C4'-P energy: -139.267
bonds (distance) P-C4' energy: -131.472
flat angles C4'-P-C4' energy: -129.753
flat angles P-C4'-P energy: -75.479
tors. eta vs tors. theta energy: -143.751
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: 68
Temperature: 1.350000
Total energy: -1837.802875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.802875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.195009 (E_RNA)
where:
Base-Base interactions energy: -1230.622
where: short stacking energy: -510.749
Base-Backbone interact. energy: -1.777
local terms energy: -608.795933
where:
bonds (distance) C4'-P energy: -130.847
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -148.569
flat angles P-C4'-P energy: -80.265
tors. eta vs tors. theta energy: -126.389
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2743.541496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.541496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.703913 (E_RNA)
where:
Base-Base interactions energy: -1890.111
where: short stacking energy: -797.069
Base-Backbone interact. energy: -3.517
local terms energy: -852.075740
where:
bonds (distance) C4'-P energy: -148.198
bonds (distance) P-C4' energy: -173.687
flat angles C4'-P-C4' energy: -179.727
flat angles P-C4'-P energy: -120.588
tors. eta vs tors. theta energy: -229.876
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2647.080227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.080227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.170732 (E_RNA)
where:
Base-Base interactions energy: -1824.265
where: short stacking energy: -779.452
Base-Backbone interact. energy: -0.287
local terms energy: -825.617855
where:
bonds (distance) C4'-P energy: -157.236
bonds (distance) P-C4' energy: -143.302
flat angles C4'-P-C4' energy: -188.143
flat angles P-C4'-P energy: -114.624
tors. eta vs tors. theta energy: -222.312
Dist. restrs. and SS energy: 3.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2555.896195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.896195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.480647 (E_RNA)
where:
Base-Base interactions energy: -1734.065
where: short stacking energy: -755.656
Base-Backbone interact. energy: -2.034
local terms energy: -824.381145
where:
bonds (distance) C4'-P energy: -154.204
bonds (distance) P-C4' energy: -171.408
flat angles C4'-P-C4' energy: -168.206
flat angles P-C4'-P energy: -116.090
tors. eta vs tors. theta energy: -214.474
Dist. restrs. and SS energy: 4.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2454.572264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.572264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.548800 (E_RNA)
where:
Base-Base interactions energy: -1719.852
where: short stacking energy: -732.939
Base-Backbone interact. energy: 1.797
local terms energy: -739.493145
where:
bonds (distance) C4'-P energy: -139.086
bonds (distance) P-C4' energy: -139.952
flat angles C4'-P-C4' energy: -164.186
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -203.177
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: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2291.275888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.275888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.480856 (E_RNA)
where:
Base-Base interactions energy: -1593.497
where: short stacking energy: -674.416
Base-Backbone interact. energy: 3.362
local terms energy: -703.345740
where:
bonds (distance) C4'-P energy: -132.000
bonds (distance) P-C4' energy: -126.752
flat angles C4'-P-C4' energy: -144.947
flat angles P-C4'-P energy: -117.342
tors. eta vs tors. theta energy: -182.304
Dist. restrs. and SS energy: 2.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2165.765943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.765943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.136185 (E_RNA)
where:
Base-Base interactions energy: -1470.733
where: short stacking energy: -641.778
Base-Backbone interact. energy: 2.224
local terms energy: -699.626555
where:
bonds (distance) C4'-P energy: -124.256
bonds (distance) P-C4' energy: -147.389
flat angles C4'-P-C4' energy: -156.268
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -179.262
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: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -2074.264540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.264540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.733815 (E_RNA)
where:
Base-Base interactions energy: -1387.963
where: short stacking energy: -596.852
Base-Backbone interact. energy: -2.985
local terms energy: -685.786258
where:
bonds (distance) C4'-P energy: -142.059
bonds (distance) P-C4' energy: -136.311
flat angles C4'-P-C4' energy: -160.646
flat angles P-C4'-P energy: -100.622
tors. eta vs tors. theta energy: -146.149
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2029.677270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.677270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.365849 (E_RNA)
where:
Base-Base interactions energy: -1371.900
where: short stacking energy: -574.448
Base-Backbone interact. energy: -0.256
local terms energy: -661.209949
where:
bonds (distance) C4'-P energy: -137.000
bonds (distance) P-C4' energy: -131.647
flat angles C4'-P-C4' energy: -134.362
flat angles P-C4'-P energy: -102.235
tors. eta vs tors. theta energy: -155.966
Dist. restrs. and SS energy: 3.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1898.197273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.197273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.090363 (E_RNA)
where:
Base-Base interactions energy: -1302.272
where: short stacking energy: -541.393
Base-Backbone interact. energy: -1.612
local terms energy: -598.206206
where:
bonds (distance) C4'-P energy: -119.413
bonds (distance) P-C4' energy: -133.466
flat angles C4'-P-C4' energy: -129.349
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -137.012
Dist. restrs. and SS energy: 3.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1836.736996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.736996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.682592 (E_RNA)
where:
Base-Base interactions energy: -1274.394
where: short stacking energy: -528.654
Base-Backbone interact. energy: -0.253
local terms energy: -565.036012
where:
bonds (distance) C4'-P energy: -105.760
bonds (distance) P-C4' energy: -111.984
flat angles C4'-P-C4' energy: -141.880
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -126.139
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: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2729.243442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.243442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.230506 (E_RNA)
where:
Base-Base interactions energy: -1854.219
where: short stacking energy: -796.371
Base-Backbone interact. energy: -4.707
local terms energy: -871.305112
where:
bonds (distance) C4'-P energy: -162.805
bonds (distance) P-C4' energy: -173.986
flat angles C4'-P-C4' energy: -187.208
flat angles P-C4'-P energy: -115.482
tors. eta vs tors. theta energy: -231.824
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2658.003093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.003093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.123206 (E_RNA)
where:
Base-Base interactions energy: -1817.856
where: short stacking energy: -796.085
Base-Backbone interact. energy: -3.345
local terms energy: -840.921660
where:
bonds (distance) C4'-P energy: -150.862
bonds (distance) P-C4' energy: -171.479
flat angles C4'-P-C4' energy: -185.875
flat angles P-C4'-P energy: -116.560
tors. eta vs tors. theta energy: -216.146
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2566.451461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.451461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.014698 (E_RNA)
where:
Base-Base interactions energy: -1765.869
where: short stacking energy: -778.734
Base-Backbone interact. energy: -0.459
local terms energy: -803.686578
where:
bonds (distance) C4'-P energy: -165.802
bonds (distance) P-C4' energy: -152.144
flat angles C4'-P-C4' energy: -158.127
flat angles P-C4'-P energy: -124.639
tors. eta vs tors. theta energy: -202.975
Dist. restrs. and SS energy: 3.563 (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: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2504.350782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.350782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.672701 (E_RNA)
where:
Base-Base interactions energy: -1724.094
where: short stacking energy: -728.880
Base-Backbone interact. energy: 2.947
local terms energy: -785.525537
where:
bonds (distance) C4'-P energy: -122.905
bonds (distance) P-C4' energy: -162.305
flat angles C4'-P-C4' energy: -174.152
flat angles P-C4'-P energy: -107.521
tors. eta vs tors. theta energy: -218.643
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: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2272.182079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.182079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.258662 (E_RNA)
where:
Base-Base interactions energy: -1546.842
where: short stacking energy: -645.142
Base-Backbone interact. energy: -2.613
local terms energy: -724.803657
where:
bonds (distance) C4'-P energy: -129.953
bonds (distance) P-C4' energy: -136.076
flat angles C4'-P-C4' energy: -162.809
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -186.561
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: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2149.719522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.719522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.763195 (E_RNA)
where:
Base-Base interactions energy: -1443.171
where: short stacking energy: -640.684
Base-Backbone interact. energy: -0.342
local terms energy: -708.250164
where:
bonds (distance) C4'-P energy: -139.938
bonds (distance) P-C4' energy: -145.101
flat angles C4'-P-C4' energy: -144.919
flat angles P-C4'-P energy: -102.983
tors. eta vs tors. theta energy: -175.310
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: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2098.322419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.322419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.571206 (E_RNA)
where:
Base-Base interactions energy: -1386.241
where: short stacking energy: -615.206
Base-Backbone interact. energy: -0.660
local terms energy: -713.669779
where:
bonds (distance) C4'-P energy: -142.320
bonds (distance) P-C4' energy: -144.499
flat angles C4'-P-C4' energy: -149.036
flat angles P-C4'-P energy: -119.296
tors. eta vs tors. theta energy: -158.519
Dist. restrs. and SS energy: 2.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2024.979832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.979832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.273136 (E_RNA)
where:
Base-Base interactions energy: -1383.327
where: short stacking energy: -610.198
Base-Backbone interact. energy: 5.255
local terms energy: -650.202006
where:
bonds (distance) C4'-P energy: -111.870
bonds (distance) P-C4' energy: -136.485
flat angles C4'-P-C4' energy: -159.507
flat angles P-C4'-P energy: -78.329
tors. eta vs tors. theta energy: -164.011
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1975.285939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.285939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.239543 (E_RNA)
where:
Base-Base interactions energy: -1335.359
where: short stacking energy: -583.327
Base-Backbone interact. energy: -1.481
local terms energy: -642.399575
where:
bonds (distance) C4'-P energy: -130.368
bonds (distance) P-C4' energy: -126.416
flat angles C4'-P-C4' energy: -137.011
flat angles P-C4'-P energy: -99.206
tors. eta vs tors. theta energy: -149.398
Dist. restrs. and SS energy: 3.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1824.595412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.595412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.990278 (E_RNA)
where:
Base-Base interactions energy: -1242.428
where: short stacking energy: -513.469
Base-Backbone interact. energy: -2.493
local terms energy: -586.069292
where:
bonds (distance) C4'-P energy: -115.546
bonds (distance) P-C4' energy: -135.023
flat angles C4'-P-C4' energy: -130.207
flat angles P-C4'-P energy: -80.668
tors. eta vs tors. theta energy: -124.626
Dist. restrs. and SS energy: 6.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2720.078426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.206374 (E_RNA)
where:
Base-Base interactions energy: -1842.402
where: short stacking energy: -775.486
Base-Backbone interact. energy: -1.477
local terms energy: -877.327310
where:
bonds (distance) C4'-P energy: -159.153
bonds (distance) P-C4' energy: -176.776
flat angles C4'-P-C4' energy: -191.322
flat angles P-C4'-P energy: -123.573
tors. eta vs tors. theta energy: -226.504
Dist. restrs. and SS energy: 1.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2626.969410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.969410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.035786 (E_RNA)
where:
Base-Base interactions energy: -1755.828
where: short stacking energy: -769.167
Base-Backbone interact. energy: -3.352
local terms energy: -869.856238
where:
bonds (distance) C4'-P energy: -152.296
bonds (distance) P-C4' energy: -174.280
flat angles C4'-P-C4' energy: -178.284
flat angles P-C4'-P energy: -133.619
tors. eta vs tors. theta energy: -231.378
Dist. restrs. and SS energy: 2.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2558.864692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.864692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.263129 (E_RNA)
where:
Base-Base interactions energy: -1735.702
where: short stacking energy: -754.648
Base-Backbone interact. energy: 0.279
local terms energy: -828.840846
where:
bonds (distance) C4'-P energy: -146.276
bonds (distance) P-C4' energy: -162.959
flat angles C4'-P-C4' energy: -173.435
flat angles P-C4'-P energy: -122.240
tors. eta vs tors. theta energy: -223.930
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: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2488.013041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.013041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.017107 (E_RNA)
where:
Base-Base interactions energy: -1677.461
where: short stacking energy: -718.791
Base-Backbone interact. energy: 0.093
local terms energy: -813.649123
where:
bonds (distance) C4'-P energy: -137.277
bonds (distance) P-C4' energy: -154.056
flat angles C4'-P-C4' energy: -173.624
flat angles P-C4'-P energy: -133.768
tors. eta vs tors. theta energy: -214.923
Dist. restrs. and SS energy: 3.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2284.576304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.576304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.882361 (E_RNA)
where:
Base-Base interactions energy: -1525.092
where: short stacking energy: -671.650
Base-Backbone interact. energy: -0.773
local terms energy: -760.017727
where:
bonds (distance) C4'-P energy: -144.820
bonds (distance) P-C4' energy: -139.737
flat angles C4'-P-C4' energy: -174.060
flat angles P-C4'-P energy: -100.369
tors. eta vs tors. theta energy: -201.031
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2146.273499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.273499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.936847 (E_RNA)
where:
Base-Base interactions energy: -1422.005
where: short stacking energy: -594.782
Base-Backbone interact. energy: -2.075
local terms energy: -723.856910
where:
bonds (distance) C4'-P energy: -148.505
bonds (distance) P-C4' energy: -163.795
flat angles C4'-P-C4' energy: -159.998
flat angles P-C4'-P energy: -99.994
tors. eta vs tors. theta energy: -151.565
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -2094.836391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.836391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.018347 (E_RNA)
where:
Base-Base interactions energy: -1408.412
where: short stacking energy: -569.759
Base-Backbone interact. energy: -2.136
local terms energy: -687.470527
where:
bonds (distance) C4'-P energy: -147.255
bonds (distance) P-C4' energy: -136.224
flat angles C4'-P-C4' energy: -146.573
flat angles P-C4'-P energy: -103.077
tors. eta vs tors. theta energy: -154.342
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2025.827280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.827280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.043692 (E_RNA)
where:
Base-Base interactions energy: -1346.283
where: short stacking energy: -566.631
Base-Backbone interact. energy: -0.867
local terms energy: -680.893301
where:
bonds (distance) C4'-P energy: -130.684
bonds (distance) P-C4' energy: -157.157
flat angles C4'-P-C4' energy: -146.346
flat angles P-C4'-P energy: -110.943
tors. eta vs tors. theta energy: -135.763
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: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1933.626514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.626514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.499110 (E_RNA)
where:
Base-Base interactions energy: -1309.577
where: short stacking energy: -538.566
Base-Backbone interact. energy: -2.466
local terms energy: -623.455839
where:
bonds (distance) C4'-P energy: -133.739
bonds (distance) P-C4' energy: -138.855
flat angles C4'-P-C4' energy: -131.179
flat angles P-C4'-P energy: -87.879
tors. eta vs tors. theta energy: -131.804
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: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1826.769402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.769402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.618295 (E_RNA)
where:
Base-Base interactions energy: -1239.780
where: short stacking energy: -505.640
Base-Backbone interact. energy: 3.886
local terms energy: -592.723728
where:
bonds (distance) C4'-P energy: -123.928
bonds (distance) P-C4' energy: -136.125
flat angles C4'-P-C4' energy: -136.691
flat angles P-C4'-P energy: -72.924
tors. eta vs tors. theta energy: -123.056
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: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2768.806259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.806259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.848445 (E_RNA)
where:
Base-Base interactions energy: -1878.825
where: short stacking energy: -814.699
Base-Backbone interact. energy: -3.571
local terms energy: -888.452787
where:
bonds (distance) C4'-P energy: -165.149
bonds (distance) P-C4' energy: -155.811
flat angles C4'-P-C4' energy: -198.363
flat angles P-C4'-P energy: -133.786
tors. eta vs tors. theta energy: -235.344
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2610.558687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.558687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.594403 (E_RNA)
where:
Base-Base interactions energy: -1767.110
where: short stacking energy: -766.781
Base-Backbone interact. energy: -3.875
local terms energy: -840.609373
where:
bonds (distance) C4'-P energy: -155.290
bonds (distance) P-C4' energy: -156.135
flat angles C4'-P-C4' energy: -192.887
flat angles P-C4'-P energy: -113.900
tors. eta vs tors. theta energy: -222.398
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: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2532.592159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.592159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.830357 (E_RNA)
where:
Base-Base interactions energy: -1716.306
where: short stacking energy: -744.102
Base-Backbone interact. energy: -2.474
local terms energy: -825.051153
where:
bonds (distance) C4'-P energy: -157.333
bonds (distance) P-C4' energy: -149.817
flat angles C4'-P-C4' energy: -174.564
flat angles P-C4'-P energy: -127.683
tors. eta vs tors. theta energy: -215.655
Dist. restrs. and SS energy: 11.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2473.756470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.756470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.675067 (E_RNA)
where:
Base-Base interactions energy: -1708.052
where: short stacking energy: -728.303
Base-Backbone interact. energy: -2.726
local terms energy: -764.897377
where:
bonds (distance) C4'-P energy: -141.313
bonds (distance) P-C4' energy: -136.820
flat angles C4'-P-C4' energy: -169.256
flat angles P-C4'-P energy: -110.116
tors. eta vs tors. theta energy: -207.392
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2246.053858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.053858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.339740 (E_RNA)
where:
Base-Base interactions energy: -1494.474
where: short stacking energy: -667.483
Base-Backbone interact. energy: 2.805
local terms energy: -756.670936
where:
bonds (distance) C4'-P energy: -158.179
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -157.837
flat angles P-C4'-P energy: -99.128
tors. eta vs tors. theta energy: -194.233
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: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -2162.553557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.553557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.101679 (E_RNA)
where:
Base-Base interactions energy: -1452.060
where: short stacking energy: -621.779
Base-Backbone interact. energy: -0.542
local terms energy: -712.499605
where:
bonds (distance) C4'-P energy: -139.861
bonds (distance) P-C4' energy: -142.986
flat angles C4'-P-C4' energy: -151.198
flat angles P-C4'-P energy: -111.566
tors. eta vs tors. theta energy: -166.888
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2086.501122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.501122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.277157 (E_RNA)
where:
Base-Base interactions energy: -1403.894
where: short stacking energy: -604.657
Base-Backbone interact. energy: -4.072
local terms energy: -680.311634
where:
bonds (distance) C4'-P energy: -119.012
bonds (distance) P-C4' energy: -145.423
flat angles C4'-P-C4' energy: -157.691
flat angles P-C4'-P energy: -94.534
tors. eta vs tors. theta energy: -163.651
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -2029.503919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.503919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.140801 (E_RNA)
where:
Base-Base interactions energy: -1362.100
where: short stacking energy: -586.728
Base-Backbone interact. energy: -0.513
local terms energy: -670.527612
where:
bonds (distance) C4'-P energy: -103.495
bonds (distance) P-C4' energy: -141.752
flat angles C4'-P-C4' energy: -160.254
flat angles P-C4'-P energy: -93.225
tors. eta vs tors. theta energy: -171.801
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: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1994.641336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.641336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.874518 (E_RNA)
where:
Base-Base interactions energy: -1340.834
where: short stacking energy: -567.073
Base-Backbone interact. energy: 2.525
local terms energy: -658.564913
where:
bonds (distance) C4'-P energy: -118.856
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -154.467
flat angles P-C4'-P energy: -89.604
tors. eta vs tors. theta energy: -156.844
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: 10, replica: 3
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1871.823407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.823407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.625060 (E_RNA)
where:
Base-Base interactions energy: -1269.256
where: short stacking energy: -518.017
Base-Backbone interact. energy: -2.153
local terms energy: -603.215660
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -133.243
flat angles C4'-P-C4' energy: -145.094
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -129.752
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2714.210692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.210692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.667791 (E_RNA)
where:
Base-Base interactions energy: -1863.798
where: short stacking energy: -773.604
Base-Backbone interact. energy: -1.874
local terms energy: -849.996127
where:
bonds (distance) C4'-P energy: -159.915
bonds (distance) P-C4' energy: -163.243
flat angles C4'-P-C4' energy: -187.028
flat angles P-C4'-P energy: -113.026
tors. eta vs tors. theta energy: -226.785
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: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2653.988868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.988868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.795808 (E_RNA)
where:
Base-Base interactions energy: -1799.508
where: short stacking energy: -783.519
Base-Backbone interact. energy: -2.710
local terms energy: -853.577699
where:
bonds (distance) C4'-P energy: -162.143
bonds (distance) P-C4' energy: -154.388
flat angles C4'-P-C4' energy: -184.781
flat angles P-C4'-P energy: -113.059
tors. eta vs tors. theta energy: -239.206
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: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2507.746965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.746965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.275549 (E_RNA)
where:
Base-Base interactions energy: -1706.005
where: short stacking energy: -748.288
Base-Backbone interact. energy: -2.029
local terms energy: -806.242185
where:
bonds (distance) C4'-P energy: -157.118
bonds (distance) P-C4' energy: -161.301
flat angles C4'-P-C4' energy: -167.486
flat angles P-C4'-P energy: -97.450
tors. eta vs tors. theta energy: -222.888
Dist. restrs. and SS energy: 6.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2499.736504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.736504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.574366 (E_RNA)
where:
Base-Base interactions energy: -1714.559
where: short stacking energy: -745.981
Base-Backbone interact. energy: -1.701
local terms energy: -786.315008
where:
bonds (distance) C4'-P energy: -145.378
bonds (distance) P-C4' energy: -142.079
flat angles C4'-P-C4' energy: -179.888
flat angles P-C4'-P energy: -113.635
tors. eta vs tors. theta energy: -205.335
Dist. restrs. and SS energy: 2.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2255.485453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.485453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.099800 (E_RNA)
where:
Base-Base interactions energy: -1524.583
where: short stacking energy: -633.253
Base-Backbone interact. energy: -0.512
local terms energy: -732.005317
where:
bonds (distance) C4'-P energy: -147.133
bonds (distance) P-C4' energy: -150.127
flat angles C4'-P-C4' energy: -168.943
flat angles P-C4'-P energy: -99.541
tors. eta vs tors. theta energy: -166.263
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2129.075631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.075631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.519966 (E_RNA)
where:
Base-Base interactions energy: -1423.546
where: short stacking energy: -642.455
Base-Backbone interact. energy: -2.497
local terms energy: -706.477169
where:
bonds (distance) C4'-P energy: -132.178
bonds (distance) P-C4' energy: -144.399
flat angles C4'-P-C4' energy: -163.820
flat angles P-C4'-P energy: -94.843
tors. eta vs tors. theta energy: -171.237
Dist. restrs. and SS energy: 3.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2071.032645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.032645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.096767 (E_RNA)
where:
Base-Base interactions energy: -1398.458
where: short stacking energy: -586.334
Base-Backbone interact. energy: -2.231
local terms energy: -673.407561
where:
bonds (distance) C4'-P energy: -122.729
bonds (distance) P-C4' energy: -151.743
flat angles C4'-P-C4' energy: -150.575
flat angles P-C4'-P energy: -86.172
tors. eta vs tors. theta energy: -162.187
Dist. restrs. and SS energy: 3.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2032.137244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.137244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.094932 (E_RNA)
where:
Base-Base interactions energy: -1359.024
where: short stacking energy: -568.667
Base-Backbone interact. energy: 0.258
local terms energy: -675.328645
where:
bonds (distance) C4'-P energy: -127.740
bonds (distance) P-C4' energy: -127.075
flat angles C4'-P-C4' energy: -161.189
flat angles P-C4'-P energy: -107.031
tors. eta vs tors. theta energy: -152.293
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: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -2024.262997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.262997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.401719 (E_RNA)
where:
Base-Base interactions energy: -1359.569
where: short stacking energy: -588.956
Base-Backbone interact. energy: 2.705
local terms energy: -671.537893
where:
bonds (distance) C4'-P energy: -135.737
bonds (distance) P-C4' energy: -129.859
flat angles C4'-P-C4' energy: -148.912
flat angles P-C4'-P energy: -85.632
tors. eta vs tors. theta energy: -171.398
Dist. restrs. and SS energy: 4.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1873.790406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.790406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.564046 (E_RNA)
where:
Base-Base interactions energy: -1278.655
where: short stacking energy: -521.829
Base-Backbone interact. energy: -1.353
local terms energy: -595.556048
where:
bonds (distance) C4'-P energy: -101.569
bonds (distance) P-C4' energy: -124.678
flat angles C4'-P-C4' energy: -142.144
flat angles P-C4'-P energy: -93.649
tors. eta vs tors. theta energy: -133.516
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: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2690.824076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.824076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.948760 (E_RNA)
where:
Base-Base interactions energy: -1829.147
where: short stacking energy: -789.566
Base-Backbone interact. energy: -2.292
local terms energy: -860.509428
where:
bonds (distance) C4'-P energy: -162.477
bonds (distance) P-C4' energy: -157.822
flat angles C4'-P-C4' energy: -182.125
flat angles P-C4'-P energy: -122.844
tors. eta vs tors. theta energy: -235.242
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2691.842339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.842339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.812422 (E_RNA)
where:
Base-Base interactions energy: -1870.581
where: short stacking energy: -777.488
Base-Backbone interact. energy: -2.590
local terms energy: -819.641192
where:
bonds (distance) C4'-P energy: -140.235
bonds (distance) P-C4' energy: -167.615
flat angles C4'-P-C4' energy: -181.724
flat angles P-C4'-P energy: -111.431
tors. eta vs tors. theta energy: -218.636
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: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2547.794902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.794902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.087342 (E_RNA)
where:
Base-Base interactions energy: -1726.200
where: short stacking energy: -727.644
Base-Backbone interact. energy: -0.102
local terms energy: -822.785261
where:
bonds (distance) C4'-P energy: -160.093
bonds (distance) P-C4' energy: -164.319
flat angles C4'-P-C4' energy: -169.772
flat angles P-C4'-P energy: -129.873
tors. eta vs tors. theta energy: -198.729
Dist. restrs. and SS energy: 1.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2459.595925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.595925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.749438 (E_RNA)
where:
Base-Base interactions energy: -1696.590
where: short stacking energy: -681.666
Base-Backbone interact. energy: -1.651
local terms energy: -763.507934
where:
bonds (distance) C4'-P energy: -155.695
bonds (distance) P-C4' energy: -142.533
flat angles C4'-P-C4' energy: -166.091
flat angles P-C4'-P energy: -108.889
tors. eta vs tors. theta energy: -190.300
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: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2285.660683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.660683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.895682 (E_RNA)
where:
Base-Base interactions energy: -1548.502
where: short stacking energy: -675.756
Base-Backbone interact. energy: -1.778
local terms energy: -738.615215
where:
bonds (distance) C4'-P energy: -137.045
bonds (distance) P-C4' energy: -143.739
flat angles C4'-P-C4' energy: -157.112
flat angles P-C4'-P energy: -117.528
tors. eta vs tors. theta energy: -183.192
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2207.238495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.238495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.115825 (E_RNA)
where:
Base-Base interactions energy: -1491.604
where: short stacking energy: -654.300
Base-Backbone interact. energy: -4.460
local terms energy: -713.050999
where:
bonds (distance) C4'-P energy: -134.040
bonds (distance) P-C4' energy: -149.550
flat angles C4'-P-C4' energy: -144.766
flat angles P-C4'-P energy: -117.703
tors. eta vs tors. theta energy: -166.992
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: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2096.762684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.762684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.331988 (E_RNA)
where:
Base-Base interactions energy: -1411.834
where: short stacking energy: -606.969
Base-Backbone interact. energy: -2.412
local terms energy: -685.085958
where:
bonds (distance) C4'-P energy: -133.346
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -143.906
flat angles P-C4'-P energy: -101.683
tors. eta vs tors. theta energy: -170.647
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: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2019.796918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.796918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.921648 (E_RNA)
where:
Base-Base interactions energy: -1361.781
where: short stacking energy: -574.915
Base-Backbone interact. energy: 6.626
local terms energy: -666.766970
where:
bonds (distance) C4'-P energy: -137.561
bonds (distance) P-C4' energy: -146.827
flat angles C4'-P-C4' energy: -139.023
flat angles P-C4'-P energy: -79.288
tors. eta vs tors. theta energy: -164.068
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: 3
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1873.588108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.588108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.040483 (E_RNA)
where:
Base-Base interactions energy: -1267.631
where: short stacking energy: -543.905
Base-Backbone interact. energy: 0.612
local terms energy: -610.021761
where:
bonds (distance) C4'-P energy: -116.697
bonds (distance) P-C4' energy: -142.126
flat angles C4'-P-C4' energy: -131.054
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -142.880
Dist. restrs. and SS energy: 3.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1904.869088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.869088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.959327 (E_RNA)
where:
Base-Base interactions energy: -1316.713
where: short stacking energy: -563.870
Base-Backbone interact. energy: 1.158
local terms energy: -594.404719
where:
bonds (distance) C4'-P energy: -132.063
bonds (distance) P-C4' energy: -131.321
flat angles C4'-P-C4' energy: -118.460
flat angles P-C4'-P energy: -70.253
tors. eta vs tors. theta energy: -142.308
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: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2724.312259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.312259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.062884 (E_RNA)
where:
Base-Base interactions energy: -1859.161
where: short stacking energy: -809.220
Base-Backbone interact. energy: -4.446
local terms energy: -861.454905
where:
bonds (distance) C4'-P energy: -146.311
bonds (distance) P-C4' energy: -172.589
flat angles C4'-P-C4' energy: -182.442
flat angles P-C4'-P energy: -122.888
tors. eta vs tors. theta energy: -237.225
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2684.826271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.826271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.561111 (E_RNA)
where:
Base-Base interactions energy: -1852.790
where: short stacking energy: -778.873
Base-Backbone interact. energy: -1.108
local terms energy: -832.662324
where:
bonds (distance) C4'-P energy: -157.288
bonds (distance) P-C4' energy: -150.187
flat angles C4'-P-C4' energy: -167.589
flat angles P-C4'-P energy: -127.018
tors. eta vs tors. theta energy: -230.579
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2574.263865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.263865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.156190 (E_RNA)
where:
Base-Base interactions energy: -1767.457
where: short stacking energy: -740.746
Base-Backbone interact. energy: -1.723
local terms energy: -806.976523
where:
bonds (distance) C4'-P energy: -156.866
bonds (distance) P-C4' energy: -162.616
flat angles C4'-P-C4' energy: -165.155
flat angles P-C4'-P energy: -114.061
tors. eta vs tors. theta energy: -208.279
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2457.745977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.745977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.319424 (E_RNA)
where:
Base-Base interactions energy: -1698.721
where: short stacking energy: -699.816
Base-Backbone interact. energy: 2.926
local terms energy: -763.524706
where:
bonds (distance) C4'-P energy: -141.126
bonds (distance) P-C4' energy: -167.373
flat angles C4'-P-C4' energy: -155.395
flat angles P-C4'-P energy: -95.024
tors. eta vs tors. theta energy: -204.607
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2306.603541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.603541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.956639 (E_RNA)
where:
Base-Base interactions energy: -1549.116
where: short stacking energy: -676.039
Base-Backbone interact. energy: -1.071
local terms energy: -758.769522
where:
bonds (distance) C4'-P energy: -156.038
bonds (distance) P-C4' energy: -148.002
flat angles C4'-P-C4' energy: -162.679
flat angles P-C4'-P energy: -105.106
tors. eta vs tors. theta energy: -186.945
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: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2150.683157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.683157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.159130 (E_RNA)
where:
Base-Base interactions energy: -1477.230
where: short stacking energy: -627.770
Base-Backbone interact. energy: 1.171
local terms energy: -678.100108
where:
bonds (distance) C4'-P energy: -138.502
bonds (distance) P-C4' energy: -129.108
flat angles C4'-P-C4' energy: -139.320
flat angles P-C4'-P energy: -92.775
tors. eta vs tors. theta energy: -178.395
Dist. restrs. and SS energy: 3.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2150.590363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.590363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.478713 (E_RNA)
where:
Base-Base interactions energy: -1444.120
where: short stacking energy: -621.238
Base-Backbone interact. energy: -1.079
local terms energy: -709.279576
where:
bonds (distance) C4'-P energy: -138.061
bonds (distance) P-C4' energy: -151.670
flat angles C4'-P-C4' energy: -156.368
flat angles P-C4'-P energy: -94.284
tors. eta vs tors. theta energy: -168.897
Dist. restrs. and SS energy: 3.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2025.977668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.977668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.030602 (E_RNA)
where:
Base-Base interactions energy: -1387.112
where: short stacking energy: -596.228
Base-Backbone interact. energy: 0.842
local terms energy: -641.760501
where:
bonds (distance) C4'-P energy: -143.042
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -136.654
flat angles P-C4'-P energy: -90.073
tors. eta vs tors. theta energy: -154.027
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: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1937.660555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.660555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.205009 (E_RNA)
where:
Base-Base interactions energy: -1324.097
where: short stacking energy: -558.982
Base-Backbone interact. energy: -4.272
local terms energy: -611.835812
where:
bonds (distance) C4'-P energy: -112.422
bonds (distance) P-C4' energy: -137.049
flat angles C4'-P-C4' energy: -133.047
flat angles P-C4'-P energy: -86.302
tors. eta vs tors. theta energy: -143.015
Dist. restrs. and SS energy: 2.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1874.192841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.192841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.599342 (E_RNA)
where:
Base-Base interactions energy: -1269.090
where: short stacking energy: -538.854
Base-Backbone interact. energy: 2.665
local terms energy: -611.173970
where:
bonds (distance) C4'-P energy: -125.888
bonds (distance) P-C4' energy: -138.867
flat angles C4'-P-C4' energy: -125.181
flat angles P-C4'-P energy: -81.431
tors. eta vs tors. theta energy: -139.808
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2764.689691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.689691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.621380 (E_RNA)
where:
Base-Base interactions energy: -1914.312
where: short stacking energy: -798.458
Base-Backbone interact. energy: -0.387
local terms energy: -850.922274
where:
bonds (distance) C4'-P energy: -158.016
bonds (distance) P-C4' energy: -172.971
flat angles C4'-P-C4' energy: -179.413
flat angles P-C4'-P energy: -125.417
tors. eta vs tors. theta energy: -215.104
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2684.953850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.953850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.567869 (E_RNA)
where:
Base-Base interactions energy: -1819.255
where: short stacking energy: -789.668
Base-Backbone interact. energy: -1.772
local terms energy: -865.540939
where:
bonds (distance) C4'-P energy: -146.286
bonds (distance) P-C4' energy: -182.367
flat angles C4'-P-C4' energy: -171.103
flat angles P-C4'-P energy: -136.187
tors. eta vs tors. theta energy: -229.598
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: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2576.834256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.834256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.094512 (E_RNA)
where:
Base-Base interactions energy: -1768.278
where: short stacking energy: -765.231
Base-Backbone interact. energy: -0.791
local terms energy: -810.025593
where:
bonds (distance) C4'-P energy: -153.041
bonds (distance) P-C4' energy: -148.000
flat angles C4'-P-C4' energy: -177.346
flat angles P-C4'-P energy: -108.425
tors. eta vs tors. theta energy: -223.214
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2415.301243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.301243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.517486 (E_RNA)
where:
Base-Base interactions energy: -1635.764
where: short stacking energy: -713.011
Base-Backbone interact. energy: 0.068
local terms energy: -782.820943
where:
bonds (distance) C4'-P energy: -141.715
bonds (distance) P-C4' energy: -166.706
flat angles C4'-P-C4' energy: -164.746
flat angles P-C4'-P energy: -95.332
tors. eta vs tors. theta energy: -214.321
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2301.505687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.505687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.653994 (E_RNA)
where:
Base-Base interactions energy: -1560.835
where: short stacking energy: -678.023
Base-Backbone interact. energy: -2.701
local terms energy: -740.118730
where:
bonds (distance) C4'-P energy: -147.372
bonds (distance) P-C4' energy: -128.128
flat angles C4'-P-C4' energy: -170.275
flat angles P-C4'-P energy: -107.336
tors. eta vs tors. theta energy: -187.008
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: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2158.174308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.174308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.809353 (E_RNA)
where:
Base-Base interactions energy: -1432.434
where: short stacking energy: -637.663
Base-Backbone interact. energy: -2.822
local terms energy: -725.553255
where:
bonds (distance) C4'-P energy: -134.687
bonds (distance) P-C4' energy: -139.539
flat angles C4'-P-C4' energy: -160.192
flat angles P-C4'-P energy: -115.549
tors. eta vs tors. theta energy: -175.586
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2098.525664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.525664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.671463 (E_RNA)
where:
Base-Base interactions energy: -1383.967
where: short stacking energy: -590.739
Base-Backbone interact. energy: -3.649
local terms energy: -713.055326
where:
bonds (distance) C4'-P energy: -145.782
bonds (distance) P-C4' energy: -140.644
flat angles C4'-P-C4' energy: -165.459
flat angles P-C4'-P energy: -98.656
tors. eta vs tors. theta energy: -162.513
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2007.861458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.861458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.640598 (E_RNA)
where:
Base-Base interactions energy: -1357.906
where: short stacking energy: -569.081
Base-Backbone interact. energy: -2.005
local terms energy: -649.730374
where:
bonds (distance) C4'-P energy: -109.135
bonds (distance) P-C4' energy: -146.801
flat angles C4'-P-C4' energy: -147.125
flat angles P-C4'-P energy: -98.106
tors. eta vs tors. theta energy: -148.564
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: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1914.333820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.333820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.726032 (E_RNA)
where:
Base-Base interactions energy: -1300.267
where: short stacking energy: -548.812
Base-Backbone interact. energy: -0.514
local terms energy: -616.945449
where:
bonds (distance) C4'-P energy: -120.959
bonds (distance) P-C4' energy: -126.672
flat angles C4'-P-C4' energy: -136.876
flat angles P-C4'-P energy: -89.007
tors. eta vs tors. theta energy: -143.432
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: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1850.574836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.574836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.802756 (E_RNA)
where:
Base-Base interactions energy: -1271.071
where: short stacking energy: -513.536
Base-Backbone interact. energy: 2.332
local terms energy: -590.063731
where:
bonds (distance) C4'-P energy: -119.954
bonds (distance) P-C4' energy: -136.936
flat angles C4'-P-C4' energy: -130.659
flat angles P-C4'-P energy: -80.668
tors. eta vs tors. theta energy: -121.847
Dist. restrs. and SS energy: 8.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2778.009736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.009736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.469283 (E_RNA)
where:
Base-Base interactions energy: -1918.327
where: short stacking energy: -822.353
Base-Backbone interact. energy: -4.796
local terms energy: -856.346219
where:
bonds (distance) C4'-P energy: -159.551
bonds (distance) P-C4' energy: -157.767
flat angles C4'-P-C4' energy: -191.701
flat angles P-C4'-P energy: -113.787
tors. eta vs tors. theta energy: -233.539
Dist. restrs. and SS energy: 1.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2650.416524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.416524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.353131 (E_RNA)
where:
Base-Base interactions energy: -1774.426
where: short stacking energy: -775.920
Base-Backbone interact. energy: 3.793
local terms energy: -881.720147
where:
bonds (distance) C4'-P energy: -167.131
bonds (distance) P-C4' energy: -168.522
flat angles C4'-P-C4' energy: -175.846
flat angles P-C4'-P energy: -137.289
tors. eta vs tors. theta energy: -232.932
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: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2520.624187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.624187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.090387 (E_RNA)
where:
Base-Base interactions energy: -1744.864
where: short stacking energy: -741.043
Base-Backbone interact. energy: -5.646
local terms energy: -772.580160
where:
bonds (distance) C4'-P energy: -134.046
bonds (distance) P-C4' energy: -157.007
flat angles C4'-P-C4' energy: -164.142
flat angles P-C4'-P energy: -111.587
tors. eta vs tors. theta energy: -205.799
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2469.238128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.238128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.746324 (E_RNA)
where:
Base-Base interactions energy: -1675.606
where: short stacking energy: -731.748
Base-Backbone interact. energy: -2.110
local terms energy: -793.029754
where:
bonds (distance) C4'-P energy: -139.687
bonds (distance) P-C4' energy: -144.038
flat angles C4'-P-C4' energy: -181.248
flat angles P-C4'-P energy: -124.294
tors. eta vs tors. theta energy: -203.762
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2325.307756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.307756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.928728 (E_RNA)
where:
Base-Base interactions energy: -1564.641
where: short stacking energy: -689.049
Base-Backbone interact. energy: -2.725
local terms energy: -760.562938
where:
bonds (distance) C4'-P energy: -142.020
bonds (distance) P-C4' energy: -136.098
flat angles C4'-P-C4' energy: -164.566
flat angles P-C4'-P energy: -118.005
tors. eta vs tors. theta energy: -199.873
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: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2170.656214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.656214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.285521 (E_RNA)
where:
Base-Base interactions energy: -1465.040
where: short stacking energy: -627.244
Base-Backbone interact. energy: -1.758
local terms energy: -706.487554
where:
bonds (distance) C4'-P energy: -130.142
bonds (distance) P-C4' energy: -133.729
flat angles C4'-P-C4' energy: -176.981
flat angles P-C4'-P energy: -91.678
tors. eta vs tors. theta energy: -173.958
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2126.240586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.240586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.700643 (E_RNA)
where:
Base-Base interactions energy: -1409.864
where: short stacking energy: -598.933
Base-Backbone interact. energy: 0.931
local terms energy: -719.767303
where:
bonds (distance) C4'-P energy: -136.724
bonds (distance) P-C4' energy: -152.261
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -104.091
tors. eta vs tors. theta energy: -171.198
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: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2037.181259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.181259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.596258 (E_RNA)
where:
Base-Base interactions energy: -1392.279
where: short stacking energy: -597.778
Base-Backbone interact. energy: -0.760
local terms energy: -645.557229
where:
bonds (distance) C4'-P energy: -117.238
bonds (distance) P-C4' energy: -131.255
flat angles C4'-P-C4' energy: -138.696
flat angles P-C4'-P energy: -94.084
tors. eta vs tors. theta energy: -164.284
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: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1934.463276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.463276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.367333 (E_RNA)
where:
Base-Base interactions energy: -1331.421
where: short stacking energy: -539.556
Base-Backbone interact. energy: -3.297
local terms energy: -601.649056
where:
bonds (distance) C4'-P energy: -130.835
bonds (distance) P-C4' energy: -137.346
flat angles C4'-P-C4' energy: -120.220
flat angles P-C4'-P energy: -75.001
tors. eta vs tors. theta energy: -138.247
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: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1898.259747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.259747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.786020 (E_RNA)
where:
Base-Base interactions energy: -1271.239
where: short stacking energy: -542.481
Base-Backbone interact. energy: -4.428
local terms energy: -626.119374
where:
bonds (distance) C4'-P energy: -127.320
bonds (distance) P-C4' energy: -125.674
flat angles C4'-P-C4' energy: -141.673
flat angles P-C4'-P energy: -87.819
tors. eta vs tors. theta energy: -143.634
Dist. restrs. and SS energy: 3.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2758.223040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.223040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.418554 (E_RNA)
where:
Base-Base interactions energy: -1891.472
where: short stacking energy: -804.252
Base-Backbone interact. energy: -1.412
local terms energy: -866.534288
where:
bonds (distance) C4'-P energy: -177.103
bonds (distance) P-C4' energy: -172.181
flat angles C4'-P-C4' energy: -182.374
flat angles P-C4'-P energy: -107.546
tors. eta vs tors. theta energy: -227.330
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2725.679279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.122901 (E_RNA)
where:
Base-Base interactions energy: -1861.139
where: short stacking energy: -800.067
Base-Backbone interact. energy: 1.829
local terms energy: -867.813324
where:
bonds (distance) C4'-P energy: -159.834
bonds (distance) P-C4' energy: -153.111
flat angles C4'-P-C4' energy: -192.294
flat angles P-C4'-P energy: -126.478
tors. eta vs tors. theta energy: -236.096
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2554.546641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.546641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.830687 (E_RNA)
where:
Base-Base interactions energy: -1732.296
where: short stacking energy: -768.940
Base-Backbone interact. energy: 3.973
local terms energy: -827.507644
where:
bonds (distance) C4'-P energy: -144.684
bonds (distance) P-C4' energy: -154.003
flat angles C4'-P-C4' energy: -188.772
flat angles P-C4'-P energy: -123.063
tors. eta vs tors. theta energy: -216.985
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2503.850973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.850973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.805327 (E_RNA)
where:
Base-Base interactions energy: -1740.030
where: short stacking energy: -750.781
Base-Backbone interact. energy: 4.272
local terms energy: -769.047585
where:
bonds (distance) C4'-P energy: -138.091
bonds (distance) P-C4' energy: -144.378
flat angles C4'-P-C4' energy: -170.766
flat angles P-C4'-P energy: -108.127
tors. eta vs tors. theta energy: -207.686
Dist. restrs. and SS energy: 0.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2285.233198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.233198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.079025 (E_RNA)
where:
Base-Base interactions energy: -1525.788
where: short stacking energy: -671.616
Base-Backbone interact. energy: -0.898
local terms energy: -760.393469
where:
bonds (distance) C4'-P energy: -134.542
bonds (distance) P-C4' energy: -166.889
flat angles C4'-P-C4' energy: -168.238
flat angles P-C4'-P energy: -91.287
tors. eta vs tors. theta energy: -199.438
Dist. restrs. and SS energy: 1.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2183.531967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.531967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.768578 (E_RNA)
where:
Base-Base interactions energy: -1443.832
where: short stacking energy: -640.639
Base-Backbone interact. energy: -2.718
local terms energy: -739.218882
where:
bonds (distance) C4'-P energy: -152.153
bonds (distance) P-C4' energy: -144.714
flat angles C4'-P-C4' energy: -169.663
flat angles P-C4'-P energy: -95.397
tors. eta vs tors. theta energy: -177.291
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2082.603119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.603119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.005896 (E_RNA)
where:
Base-Base interactions energy: -1403.373
where: short stacking energy: -616.568
Base-Backbone interact. energy: -2.241
local terms energy: -680.392393
where:
bonds (distance) C4'-P energy: -119.650
bonds (distance) P-C4' energy: -127.026
flat angles C4'-P-C4' energy: -149.324
flat angles P-C4'-P energy: -117.842
tors. eta vs tors. theta energy: -166.550
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2000.158970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.158970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.592561 (E_RNA)
where:
Base-Base interactions energy: -1354.053
where: short stacking energy: -575.839
Base-Backbone interact. energy: -3.129
local terms energy: -645.410795
where:
bonds (distance) C4'-P energy: -134.163
bonds (distance) P-C4' energy: -127.538
flat angles C4'-P-C4' energy: -139.569
flat angles P-C4'-P energy: -98.765
tors. eta vs tors. theta energy: -145.375
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: 9, replica: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1910.948706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.948706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.591974 (E_RNA)
where:
Base-Base interactions energy: -1274.198
where: short stacking energy: -535.154
Base-Backbone interact. energy: 0.972
local terms energy: -643.365993
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -135.766
flat angles C4'-P-C4' energy: -149.522
flat angles P-C4'-P energy: -80.789
tors. eta vs tors. theta energy: -143.468
Dist. restrs. and SS energy: 5.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1862.702390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.702390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.252991 (E_RNA)
where:
Base-Base interactions energy: -1245.723
where: short stacking energy: -510.928
Base-Backbone interact. energy: 7.642
local terms energy: -629.172193
where:
bonds (distance) C4'-P energy: -101.244
bonds (distance) P-C4' energy: -143.270
flat angles C4'-P-C4' energy: -143.575
flat angles P-C4'-P energy: -93.106
tors. eta vs tors. theta energy: -147.977
Dist. restrs. and SS energy: 4.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2778.594550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.594550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.247567 (E_RNA)
where:
Base-Base interactions energy: -1910.992
where: short stacking energy: -822.275
Base-Backbone interact. energy: -0.205
local terms energy: -869.050273
where:
bonds (distance) C4'-P energy: -166.006
bonds (distance) P-C4' energy: -157.410
flat angles C4'-P-C4' energy: -190.791
flat angles P-C4'-P energy: -131.990
tors. eta vs tors. theta energy: -222.854
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2689.734148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.734148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.889328 (E_RNA)
where:
Base-Base interactions energy: -1825.639
where: short stacking energy: -775.833
Base-Backbone interact. energy: -1.100
local terms energy: -864.151117
where:
bonds (distance) C4'-P energy: -167.406
bonds (distance) P-C4' energy: -168.200
flat angles C4'-P-C4' energy: -180.216
flat angles P-C4'-P energy: -113.304
tors. eta vs tors. theta energy: -235.026
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2572.732632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.732632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.454869 (E_RNA)
where:
Base-Base interactions energy: -1780.480
where: short stacking energy: -784.088
Base-Backbone interact. energy: -1.250
local terms energy: -792.724115
where:
bonds (distance) C4'-P energy: -153.682
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -174.461
flat angles P-C4'-P energy: -100.538
tors. eta vs tors. theta energy: -213.578
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: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2465.052338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.052338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.411823 (E_RNA)
where:
Base-Base interactions energy: -1697.123
where: short stacking energy: -725.170
Base-Backbone interact. energy: -3.157
local terms energy: -767.132350
where:
bonds (distance) C4'-P energy: -120.941
bonds (distance) P-C4' energy: -165.464
flat angles C4'-P-C4' energy: -163.055
flat angles P-C4'-P energy: -113.283
tors. eta vs tors. theta energy: -204.390
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: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2281.978854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.978854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.941216 (E_RNA)
where:
Base-Base interactions energy: -1529.077
where: short stacking energy: -667.710
Base-Backbone interact. energy: -0.491
local terms energy: -755.373598
where:
bonds (distance) C4'-P energy: -131.036
bonds (distance) P-C4' energy: -154.731
flat angles C4'-P-C4' energy: -172.946
flat angles P-C4'-P energy: -114.274
tors. eta vs tors. theta energy: -182.386
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2188.580456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.580456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.506552 (E_RNA)
where:
Base-Base interactions energy: -1472.165
where: short stacking energy: -641.999
Base-Backbone interact. energy: 1.143
local terms energy: -719.485223
where:
bonds (distance) C4'-P energy: -147.340
bonds (distance) P-C4' energy: -148.895
flat angles C4'-P-C4' energy: -150.443
flat angles P-C4'-P energy: -94.825
tors. eta vs tors. theta energy: -177.982
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -2119.955682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.955682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.509947 (E_RNA)
where:
Base-Base interactions energy: -1419.963
where: short stacking energy: -600.266
Base-Backbone interact. energy: 2.176
local terms energy: -703.723244
where:
bonds (distance) C4'-P energy: -137.525
bonds (distance) P-C4' energy: -140.628
flat angles C4'-P-C4' energy: -155.708
flat angles P-C4'-P energy: -102.062
tors. eta vs tors. theta energy: -167.800
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: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -2003.842920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.842920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.523557 (E_RNA)
where:
Base-Base interactions energy: -1356.867
where: short stacking energy: -565.563
Base-Backbone interact. energy: -2.542
local terms energy: -646.115009
where:
bonds (distance) C4'-P energy: -118.576
bonds (distance) P-C4' energy: -143.859
flat angles C4'-P-C4' energy: -154.203
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -157.418
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: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1894.702452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.702452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.771124 (E_RNA)
where:
Base-Base interactions energy: -1298.305
where: short stacking energy: -546.678
Base-Backbone interact. energy: 4.813
local terms energy: -603.278513
where:
bonds (distance) C4'-P energy: -114.303
bonds (distance) P-C4' energy: -125.517
flat angles C4'-P-C4' energy: -144.057
flat angles P-C4'-P energy: -91.879
tors. eta vs tors. theta energy: -127.521
Dist. restrs. and SS energy: 2.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1863.433496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.433496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.929249 (E_RNA)
where:
Base-Base interactions energy: -1254.566
where: short stacking energy: -523.596
Base-Backbone interact. energy: -2.112
local terms energy: -614.250465
where:
bonds (distance) C4'-P energy: -108.413
bonds (distance) P-C4' energy: -138.748
flat angles C4'-P-C4' energy: -140.640
flat angles P-C4'-P energy: -94.279
tors. eta vs tors. theta energy: -132.171
Dist. restrs. and SS energy: 7.496 (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: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2787.650123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.650123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.802936 (E_RNA)
where:
Base-Base interactions energy: -1920.685
where: short stacking energy: -807.093
Base-Backbone interact. energy: 1.820
local terms energy: -870.938310
where:
bonds (distance) C4'-P energy: -168.005
bonds (distance) P-C4' energy: -157.938
flat angles C4'-P-C4' energy: -187.601
flat angles P-C4'-P energy: -125.764
tors. eta vs tors. theta energy: -231.630
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: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2679.500318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.500318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.252733 (E_RNA)
where:
Base-Base interactions energy: -1823.465
where: short stacking energy: -783.464
Base-Backbone interact. energy: -1.111
local terms energy: -856.676417
where:
bonds (distance) C4'-P energy: -158.913
bonds (distance) P-C4' energy: -165.561
flat angles C4'-P-C4' energy: -175.702
flat angles P-C4'-P energy: -130.284
tors. eta vs tors. theta energy: -226.216
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2555.031698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.031698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.378366 (E_RNA)
where:
Base-Base interactions energy: -1772.933
where: short stacking energy: -765.356
Base-Backbone interact. energy: -0.781
local terms energy: -784.664053
where:
bonds (distance) C4'-P energy: -147.754
bonds (distance) P-C4' energy: -143.503
flat angles C4'-P-C4' energy: -174.459
flat angles P-C4'-P energy: -109.911
tors. eta vs tors. theta energy: -209.038
Dist. restrs. and SS energy: 3.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2481.853412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.853412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.283775 (E_RNA)
where:
Base-Base interactions energy: -1681.192
where: short stacking energy: -739.233
Base-Backbone interact. energy: 5.219
local terms energy: -808.309897
where:
bonds (distance) C4'-P energy: -142.287
bonds (distance) P-C4' energy: -157.643
flat angles C4'-P-C4' energy: -184.137
flat angles P-C4'-P energy: -102.158
tors. eta vs tors. theta energy: -222.085
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2253.212142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.212142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.776834 (E_RNA)
where:
Base-Base interactions energy: -1527.615
where: short stacking energy: -638.258
Base-Backbone interact. energy: 3.516
local terms energy: -730.677905
where:
bonds (distance) C4'-P energy: -142.842
bonds (distance) P-C4' energy: -139.619
flat angles C4'-P-C4' energy: -173.574
flat angles P-C4'-P energy: -96.255
tors. eta vs tors. theta energy: -178.389
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -2254.285128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.285128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.435677 (E_RNA)
where:
Base-Base interactions energy: -1506.898
where: short stacking energy: -686.605
Base-Backbone interact. energy: -1.032
local terms energy: -748.506274
where:
bonds (distance) C4'-P energy: -143.841
bonds (distance) P-C4' energy: -148.285
flat angles C4'-P-C4' energy: -170.201
flat angles P-C4'-P energy: -95.719
tors. eta vs tors. theta energy: -190.461
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -2135.402550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.402550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.135615 (E_RNA)
where:
Base-Base interactions energy: -1464.989
where: short stacking energy: -605.922
Base-Backbone interact. energy: -3.624
local terms energy: -669.522171
where:
bonds (distance) C4'-P energy: -123.793
bonds (distance) P-C4' energy: -145.325
flat angles C4'-P-C4' energy: -135.774
flat angles P-C4'-P energy: -99.437
tors. eta vs tors. theta energy: -165.193
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2033.227829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.227829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.732314 (E_RNA)
where:
Base-Base interactions energy: -1346.106
where: short stacking energy: -572.868
Base-Backbone interact. energy: -1.920
local terms energy: -688.706026
where:
bonds (distance) C4'-P energy: -132.847
bonds (distance) P-C4' energy: -149.854
flat angles C4'-P-C4' energy: -170.759
flat angles P-C4'-P energy: -83.127
tors. eta vs tors. theta energy: -152.120
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: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1932.611906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.611906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.587292 (E_RNA)
where:
Base-Base interactions energy: -1315.606
where: short stacking energy: -529.217
Base-Backbone interact. energy: -0.578
local terms energy: -617.403350
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -135.268
flat angles C4'-P-C4' energy: -130.543
flat angles P-C4'-P energy: -92.267
tors. eta vs tors. theta energy: -132.960
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1875.179439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.179439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.683075 (E_RNA)
where:
Base-Base interactions energy: -1303.572
where: short stacking energy: -538.573
Base-Backbone interact. energy: 5.001
local terms energy: -579.112140
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -134.108
flat angles C4'-P-C4' energy: -123.502
flat angles P-C4'-P energy: -78.542
tors. eta vs tors. theta energy: -127.458
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: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2770.090459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.090459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.189807 (E_RNA)
where:
Base-Base interactions energy: -1901.199
where: short stacking energy: -788.362
Base-Backbone interact. energy: -4.308
local terms energy: -865.683439
where:
bonds (distance) C4'-P energy: -163.227
bonds (distance) P-C4' energy: -163.464
flat angles C4'-P-C4' energy: -187.844
flat angles P-C4'-P energy: -126.635
tors. eta vs tors. theta energy: -224.515
Dist. restrs. and SS energy: 1.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2672.103878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.103878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.514039 (E_RNA)
where:
Base-Base interactions energy: -1789.601
where: short stacking energy: -782.801
Base-Backbone interact. energy: 2.188
local terms energy: -886.100924
where:
bonds (distance) C4'-P energy: -149.696
bonds (distance) P-C4' energy: -175.836
flat angles C4'-P-C4' energy: -193.662
flat angles P-C4'-P energy: -128.477
tors. eta vs tors. theta energy: -238.429
Dist. restrs. and SS energy: 1.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2536.778337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.778337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.592504 (E_RNA)
where:
Base-Base interactions energy: -1756.169
where: short stacking energy: -762.368
Base-Backbone interact. energy: -1.711
local terms energy: -780.712312
where:
bonds (distance) C4'-P energy: -141.985
bonds (distance) P-C4' energy: -133.239
flat angles C4'-P-C4' energy: -173.374
flat angles P-C4'-P energy: -114.239
tors. eta vs tors. theta energy: -217.874
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: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2449.092624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.092624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.529555 (E_RNA)
where:
Base-Base interactions energy: -1668.593
where: short stacking energy: -702.229
Base-Backbone interact. energy: -1.224
local terms energy: -782.713085
where:
bonds (distance) C4'-P energy: -169.697
bonds (distance) P-C4' energy: -164.638
flat angles C4'-P-C4' energy: -154.512
flat angles P-C4'-P energy: -98.651
tors. eta vs tors. theta energy: -195.214
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2240.523696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.523696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.540275 (E_RNA)
where:
Base-Base interactions energy: -1509.276
where: short stacking energy: -657.319
Base-Backbone interact. energy: 3.080
local terms energy: -737.344427
where:
bonds (distance) C4'-P energy: -141.558
bonds (distance) P-C4' energy: -157.463
flat angles C4'-P-C4' energy: -149.402
flat angles P-C4'-P energy: -115.537
tors. eta vs tors. theta energy: -173.384
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2229.845133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.845133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.989266 (E_RNA)
where:
Base-Base interactions energy: -1540.016
where: short stacking energy: -653.738
Base-Backbone interact. energy: -1.385
local terms energy: -691.588092
where:
bonds (distance) C4'-P energy: -112.471
bonds (distance) P-C4' energy: -148.988
flat angles C4'-P-C4' energy: -154.485
flat angles P-C4'-P energy: -104.108
tors. eta vs tors. theta energy: -171.537
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: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2117.127109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.127109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.216617 (E_RNA)
where:
Base-Base interactions energy: -1439.257
where: short stacking energy: -628.292
Base-Backbone interact. energy: 5.220
local terms energy: -684.179497
where:
bonds (distance) C4'-P energy: -132.016
bonds (distance) P-C4' energy: -121.328
flat angles C4'-P-C4' energy: -154.695
flat angles P-C4'-P energy: -102.368
tors. eta vs tors. theta energy: -173.773
Dist. restrs. and SS energy: 1.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2029.889173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.702567 (E_RNA)
where:
Base-Base interactions energy: -1389.287
where: short stacking energy: -606.166
Base-Backbone interact. energy: -0.416
local terms energy: -641.999575
where:
bonds (distance) C4'-P energy: -133.126
bonds (distance) P-C4' energy: -135.783
flat angles C4'-P-C4' energy: -137.812
flat angles P-C4'-P energy: -76.927
tors. eta vs tors. theta energy: -158.352
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: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1904.561941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.561941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.930905 (E_RNA)
where:
Base-Base interactions energy: -1290.124
where: short stacking energy: -541.129
Base-Backbone interact. energy: -5.101
local terms energy: -611.706119
where:
bonds (distance) C4'-P energy: -115.240
bonds (distance) P-C4' energy: -134.890
flat angles C4'-P-C4' energy: -140.048
flat angles P-C4'-P energy: -84.146
tors. eta vs tors. theta energy: -137.382
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: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1863.012354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.012354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.751848 (E_RNA)
where:
Base-Base interactions energy: -1257.400
where: short stacking energy: -512.731
Base-Backbone interact. energy: 0.672
local terms energy: -610.024365
where:
bonds (distance) C4'-P energy: -141.504
bonds (distance) P-C4' energy: -139.683
flat angles C4'-P-C4' energy: -134.550
flat angles P-C4'-P energy: -72.814
tors. eta vs tors. theta energy: -121.473
Dist. restrs. and SS energy: 3.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2792.440239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.440239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.154304 (E_RNA)
where:
Base-Base interactions energy: -1923.574
where: short stacking energy: -829.954
Base-Backbone interact. energy: -2.756
local terms energy: -866.824195
where:
bonds (distance) C4'-P energy: -157.518
bonds (distance) P-C4' energy: -158.518
flat angles C4'-P-C4' energy: -184.625
flat angles P-C4'-P energy: -133.651
tors. eta vs tors. theta energy: -232.513
Dist. restrs. and SS energy: 0.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2691.940803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.940803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.920881 (E_RNA)
where:
Base-Base interactions energy: -1845.780
where: short stacking energy: -810.300
Base-Backbone interact. energy: 0.768
local terms energy: -847.909636
where:
bonds (distance) C4'-P energy: -168.576
bonds (distance) P-C4' energy: -152.365
flat angles C4'-P-C4' energy: -182.478
flat angles P-C4'-P energy: -122.508
tors. eta vs tors. theta energy: -221.982
Dist. restrs. and SS energy: 0.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2547.007620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.007620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.881873 (E_RNA)
where:
Base-Base interactions energy: -1735.028
where: short stacking energy: -740.558
Base-Backbone interact. energy: 4.656
local terms energy: -818.509299
where:
bonds (distance) C4'-P energy: -163.079
bonds (distance) P-C4' energy: -156.865
flat angles C4'-P-C4' energy: -171.994
flat angles P-C4'-P energy: -117.368
tors. eta vs tors. theta energy: -209.203
Dist. restrs. and SS energy: 1.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2428.679100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.679100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.854164 (E_RNA)
where:
Base-Base interactions energy: -1670.704
where: short stacking energy: -722.244
Base-Backbone interact. energy: -0.248
local terms energy: -760.902228
where:
bonds (distance) C4'-P energy: -138.730
bonds (distance) P-C4' energy: -134.423
flat angles C4'-P-C4' energy: -169.649
flat angles P-C4'-P energy: -118.193
tors. eta vs tors. theta energy: -199.907
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: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2268.826566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.826566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.138584 (E_RNA)
where:
Base-Base interactions energy: -1516.382
where: short stacking energy: -650.350
Base-Backbone interact. energy: -0.934
local terms energy: -753.823224
where:
bonds (distance) C4'-P energy: -142.088
bonds (distance) P-C4' energy: -156.784
flat angles C4'-P-C4' energy: -176.166
flat angles P-C4'-P energy: -106.928
tors. eta vs tors. theta energy: -171.858
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: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -2220.731544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.731544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.504282 (E_RNA)
where:
Base-Base interactions energy: -1526.816
where: short stacking energy: -654.194
Base-Backbone interact. energy: -1.294
local terms energy: -694.394037
where:
bonds (distance) C4'-P energy: -117.103
bonds (distance) P-C4' energy: -161.968
flat angles C4'-P-C4' energy: -147.091
flat angles P-C4'-P energy: -98.693
tors. eta vs tors. theta energy: -169.539
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: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2103.307415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.307415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.469868 (E_RNA)
where:
Base-Base interactions energy: -1420.669
where: short stacking energy: -620.879
Base-Backbone interact. energy: 0.413
local terms energy: -685.213532
where:
bonds (distance) C4'-P energy: -136.947
bonds (distance) P-C4' energy: -126.446
flat angles C4'-P-C4' energy: -155.944
flat angles P-C4'-P energy: -86.744
tors. eta vs tors. theta energy: -179.132
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2077.377612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.377612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.717696 (E_RNA)
where:
Base-Base interactions energy: -1388.000
where: short stacking energy: -606.914
Base-Backbone interact. energy: -1.746
local terms energy: -688.971320
where:
bonds (distance) C4'-P energy: -127.435
bonds (distance) P-C4' energy: -143.809
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -97.373
tors. eta vs tors. theta energy: -161.327
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: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1952.282381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.282381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.535876 (E_RNA)
where:
Base-Base interactions energy: -1310.306
where: short stacking energy: -556.882
Base-Backbone interact. energy: 1.564
local terms energy: -646.793579
where:
bonds (distance) C4'-P energy: -134.841
bonds (distance) P-C4' energy: -117.344
flat angles C4'-P-C4' energy: -140.316
flat angles P-C4'-P energy: -118.037
tors. eta vs tors. theta energy: -136.256
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: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1785.350007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.350007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.265064 (E_RNA)
where:
Base-Base interactions energy: -1232.618
where: short stacking energy: -496.703
Base-Backbone interact. energy: -1.877
local terms energy: -557.770721
where:
bonds (distance) C4'-P energy: -113.100
bonds (distance) P-C4' energy: -126.670
flat angles C4'-P-C4' energy: -124.526
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: -115.454
Dist. restrs. and SS energy: 6.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2727.922261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.922261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.910005 (E_RNA)
where:
Base-Base interactions energy: -1863.882
where: short stacking energy: -814.937
Base-Backbone interact. energy: -2.219
local terms energy: -863.808277
where:
bonds (distance) C4'-P energy: -163.806
bonds (distance) P-C4' energy: -165.801
flat angles C4'-P-C4' energy: -183.146
flat angles P-C4'-P energy: -123.851
tors. eta vs tors. theta energy: -227.204
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: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2669.436592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.436592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.411280 (E_RNA)
where:
Base-Base interactions energy: -1836.725
where: short stacking energy: -825.009
Base-Backbone interact. energy: -4.489
local terms energy: -829.196758
where:
bonds (distance) C4'-P energy: -144.495
bonds (distance) P-C4' energy: -156.035
flat angles C4'-P-C4' energy: -179.695
flat angles P-C4'-P energy: -113.880
tors. eta vs tors. theta energy: -235.092
Dist. restrs. and SS energy: 0.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2572.720997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.720997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.840980 (E_RNA)
where:
Base-Base interactions energy: -1782.201
where: short stacking energy: -732.292
Base-Backbone interact. energy: 0.604
local terms energy: -793.244271
where:
bonds (distance) C4'-P energy: -144.487
bonds (distance) P-C4' energy: -137.981
flat angles C4'-P-C4' energy: -178.634
flat angles P-C4'-P energy: -117.651
tors. eta vs tors. theta energy: -214.491
Dist. restrs. and SS energy: 2.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2500.839703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.839703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.572203 (E_RNA)
where:
Base-Base interactions energy: -1689.354
where: short stacking energy: -722.841
Base-Backbone interact. energy: -2.272
local terms energy: -811.946687
where:
bonds (distance) C4'-P energy: -151.928
bonds (distance) P-C4' energy: -159.438
flat angles C4'-P-C4' energy: -177.906
flat angles P-C4'-P energy: -112.025
tors. eta vs tors. theta energy: -210.650
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2262.929442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.929442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.324386 (E_RNA)
where:
Base-Base interactions energy: -1555.464
where: short stacking energy: -664.231
Base-Backbone interact. energy: 0.880
local terms energy: -710.740419
where:
bonds (distance) C4'-P energy: -148.381
bonds (distance) P-C4' energy: -140.424
flat angles C4'-P-C4' energy: -163.089
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -178.679
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2264.896949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.896949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.474112 (E_RNA)
where:
Base-Base interactions energy: -1529.948
where: short stacking energy: -656.402
Base-Backbone interact. energy: 2.698
local terms energy: -739.224249
where:
bonds (distance) C4'-P energy: -139.046
bonds (distance) P-C4' energy: -163.537
flat angles C4'-P-C4' energy: -153.992
flat angles P-C4'-P energy: -106.303
tors. eta vs tors. theta energy: -176.346
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: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2070.154844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.154844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.749915 (E_RNA)
where:
Base-Base interactions energy: -1447.810
where: short stacking energy: -613.514
Base-Backbone interact. energy: 3.607
local terms energy: -628.547034
where:
bonds (distance) C4'-P energy: -116.142
bonds (distance) P-C4' energy: -120.231
flat angles C4'-P-C4' energy: -146.955
flat angles P-C4'-P energy: -86.202
tors. eta vs tors. theta energy: -159.017
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: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2032.191760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.191760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.950997 (E_RNA)
where:
Base-Base interactions energy: -1375.617
where: short stacking energy: -607.849
Base-Backbone interact. energy: 1.624
local terms energy: -665.958251
where:
bonds (distance) C4'-P energy: -137.858
bonds (distance) P-C4' energy: -132.731
flat angles C4'-P-C4' energy: -140.077
flat angles P-C4'-P energy: -91.674
tors. eta vs tors. theta energy: -163.619
Dist. restrs. and SS energy: 7.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1915.780203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.780203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.272972 (E_RNA)
where:
Base-Base interactions energy: -1281.768
where: short stacking energy: -543.355
Base-Backbone interact. energy: -0.926
local terms energy: -639.578464
where:
bonds (distance) C4'-P energy: -133.673
bonds (distance) P-C4' energy: -131.836
flat angles C4'-P-C4' energy: -156.949
flat angles P-C4'-P energy: -82.097
tors. eta vs tors. theta energy: -135.024
Dist. restrs. and SS energy: 6.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1849.955240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.955240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.193216 (E_RNA)
where:
Base-Base interactions energy: -1280.201
where: short stacking energy: -515.543
Base-Backbone interact. energy: 5.710
local terms energy: -578.702931
where:
bonds (distance) C4'-P energy: -115.698
bonds (distance) P-C4' energy: -135.047
flat angles C4'-P-C4' energy: -128.266
flat angles P-C4'-P energy: -79.753
tors. eta vs tors. theta energy: -119.939
Dist. restrs. and SS energy: 3.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2731.452058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.452058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.564669 (E_RNA)
where:
Base-Base interactions energy: -1854.656
where: short stacking energy: -798.991
Base-Backbone interact. energy: -6.237
local terms energy: -871.671508
where:
bonds (distance) C4'-P energy: -171.762
bonds (distance) P-C4' energy: -159.225
flat angles C4'-P-C4' energy: -189.202
flat angles P-C4'-P energy: -123.080
tors. eta vs tors. theta energy: -228.403
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2703.626208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.626208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.099137 (E_RNA)
where:
Base-Base interactions energy: -1830.998
where: short stacking energy: -820.795
Base-Backbone interact. energy: -0.167
local terms energy: -874.934096
where:
bonds (distance) C4'-P energy: -159.060
bonds (distance) P-C4' energy: -165.079
flat angles C4'-P-C4' energy: -188.595
flat angles P-C4'-P energy: -123.781
tors. eta vs tors. theta energy: -238.419
Dist. restrs. and SS energy: 2.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2578.246006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.246006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.947115 (E_RNA)
where:
Base-Base interactions energy: -1760.138
where: short stacking energy: -749.601
Base-Backbone interact. energy: -1.505
local terms energy: -818.304010
where:
bonds (distance) C4'-P energy: -163.226
bonds (distance) P-C4' energy: -170.801
flat angles C4'-P-C4' energy: -159.045
flat angles P-C4'-P energy: -109.545
tors. eta vs tors. theta energy: -215.687
Dist. restrs. and SS energy: 1.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2501.435389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.435389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.833234 (E_RNA)
where:
Base-Base interactions energy: -1700.701
where: short stacking energy: -731.669
Base-Backbone interact. energy: 1.476
local terms energy: -805.607970
where:
bonds (distance) C4'-P energy: -153.504
bonds (distance) P-C4' energy: -144.851
flat angles C4'-P-C4' energy: -179.038
flat angles P-C4'-P energy: -102.748
tors. eta vs tors. theta energy: -225.468
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: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2279.264627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.264627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.060749 (E_RNA)
where:
Base-Base interactions energy: -1551.584
where: short stacking energy: -642.372
Base-Backbone interact. energy: -5.362
local terms energy: -724.114722
where:
bonds (distance) C4'-P energy: -147.353
bonds (distance) P-C4' energy: -144.664
flat angles C4'-P-C4' energy: -159.198
flat angles P-C4'-P energy: -93.689
tors. eta vs tors. theta energy: -179.211
Dist. restrs. and SS energy: 1.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2196.054377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.054377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.484990 (E_RNA)
where:
Base-Base interactions energy: -1462.774
where: short stacking energy: -631.023
Base-Backbone interact. energy: -1.858
local terms energy: -733.852753
where:
bonds (distance) C4'-P energy: -119.755
bonds (distance) P-C4' energy: -163.439
flat angles C4'-P-C4' energy: -173.593
flat angles P-C4'-P energy: -95.802
tors. eta vs tors. theta energy: -181.263
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: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2122.085654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.085654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.121648 (E_RNA)
where:
Base-Base interactions energy: -1461.662
where: short stacking energy: -626.795
Base-Backbone interact. energy: 2.946
local terms energy: -666.405229
where:
bonds (distance) C4'-P energy: -125.699
bonds (distance) P-C4' energy: -131.559
flat angles C4'-P-C4' energy: -145.909
flat angles P-C4'-P energy: -94.359
tors. eta vs tors. theta energy: -168.879
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2005.176992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.176992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.681959 (E_RNA)
where:
Base-Base interactions energy: -1346.854
where: short stacking energy: -575.330
Base-Backbone interact. energy: -2.060
local terms energy: -657.768770
where:
bonds (distance) C4'-P energy: -125.377
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -143.407
flat angles P-C4'-P energy: -97.265
tors. eta vs tors. theta energy: -153.222
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: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1973.158840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.158840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.266862 (E_RNA)
where:
Base-Base interactions energy: -1316.114
where: short stacking energy: -539.413
Base-Backbone interact. energy: -0.665
local terms energy: -658.487846
where:
bonds (distance) C4'-P energy: -149.232
bonds (distance) P-C4' energy: -142.321
flat angles C4'-P-C4' energy: -132.351
flat angles P-C4'-P energy: -97.000
tors. eta vs tors. theta energy: -137.584
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: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1824.505742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.505742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.071411 (E_RNA)
where:
Base-Base interactions energy: -1255.424
where: short stacking energy: -518.097
Base-Backbone interact. energy: -1.345
local terms energy: -570.302031
where:
bonds (distance) C4'-P energy: -136.238
bonds (distance) P-C4' energy: -121.530
flat angles C4'-P-C4' energy: -125.512
flat angles P-C4'-P energy: -65.712
tors. eta vs tors. theta energy: -121.311
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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2741.874469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.874469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.115168 (E_RNA)
where:
Base-Base interactions energy: -1878.488
where: short stacking energy: -808.943
Base-Backbone interact. energy: -3.505
local terms energy: -861.122446
where:
bonds (distance) C4'-P energy: -148.866
bonds (distance) P-C4' energy: -176.397
flat angles C4'-P-C4' energy: -182.507
flat angles P-C4'-P energy: -121.865
tors. eta vs tors. theta energy: -231.488
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2684.461277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.461277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.499819 (E_RNA)
where:
Base-Base interactions energy: -1818.625
where: short stacking energy: -765.521
Base-Backbone interact. energy: -4.016
local terms energy: -864.858199
where:
bonds (distance) C4'-P energy: -168.531
bonds (distance) P-C4' energy: -165.780
flat angles C4'-P-C4' energy: -180.502
flat angles P-C4'-P energy: -127.229
tors. eta vs tors. theta energy: -222.816
Dist. restrs. and SS energy: 3.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2555.417820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.417820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.453504 (E_RNA)
where:
Base-Base interactions energy: -1740.472
where: short stacking energy: -768.112
Base-Backbone interact. energy: 1.699
local terms energy: -818.680225
where:
bonds (distance) C4'-P energy: -156.294
bonds (distance) P-C4' energy: -143.617
flat angles C4'-P-C4' energy: -185.790
flat angles P-C4'-P energy: -117.332
tors. eta vs tors. theta energy: -215.647
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2458.963197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.963197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.100568 (E_RNA)
where:
Base-Base interactions energy: -1681.604
where: short stacking energy: -719.643
Base-Backbone interact. energy: 4.765
local terms energy: -783.261202
where:
bonds (distance) C4'-P energy: -151.158
bonds (distance) P-C4' energy: -139.363
flat angles C4'-P-C4' energy: -168.354
flat angles P-C4'-P energy: -115.988
tors. eta vs tors. theta energy: -208.399
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: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2276.166578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.166578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.599244 (E_RNA)
where:
Base-Base interactions energy: -1541.733
where: short stacking energy: -641.310
Base-Backbone interact. energy: 7.014
local terms energy: -742.880142
where:
bonds (distance) C4'-P energy: -135.653
bonds (distance) P-C4' energy: -146.718
flat angles C4'-P-C4' energy: -161.221
flat angles P-C4'-P energy: -115.951
tors. eta vs tors. theta energy: -183.337
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: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2213.507921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.507921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.862706 (E_RNA)
where:
Base-Base interactions energy: -1483.533
where: short stacking energy: -638.502
Base-Backbone interact. energy: 5.727
local terms energy: -737.056278
where:
bonds (distance) C4'-P energy: -140.196
bonds (distance) P-C4' energy: -152.357
flat angles C4'-P-C4' energy: -166.902
flat angles P-C4'-P energy: -100.817
tors. eta vs tors. theta energy: -176.785
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2127.467212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.467212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.228181 (E_RNA)
where:
Base-Base interactions energy: -1436.999
where: short stacking energy: -635.505
Base-Backbone interact. energy: -0.816
local terms energy: -692.413235
where:
bonds (distance) C4'-P energy: -115.241
bonds (distance) P-C4' energy: -141.983
flat angles C4'-P-C4' energy: -152.973
flat angles P-C4'-P energy: -94.955
tors. eta vs tors. theta energy: -187.261
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2004.350082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.350082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.983123 (E_RNA)
where:
Base-Base interactions energy: -1373.201
where: short stacking energy: -589.816
Base-Backbone interact. energy: 2.942
local terms energy: -635.724270
where:
bonds (distance) C4'-P energy: -130.478
bonds (distance) P-C4' energy: -116.815
flat angles C4'-P-C4' energy: -145.477
flat angles P-C4'-P energy: -90.810
tors. eta vs tors. theta energy: -152.143
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1896.896677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.896677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.911059 (E_RNA)
where:
Base-Base interactions energy: -1262.752
where: short stacking energy: -519.216
Base-Backbone interact. energy: -1.380
local terms energy: -638.778712
where:
bonds (distance) C4'-P energy: -133.404
bonds (distance) P-C4' energy: -137.688
flat angles C4'-P-C4' energy: -146.006
flat angles P-C4'-P energy: -88.651
tors. eta vs tors. theta energy: -133.030
Dist. restrs. and SS energy: 6.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1868.943167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.943167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.209408 (E_RNA)
where:
Base-Base interactions energy: -1247.835
where: short stacking energy: -514.001
Base-Backbone interact. energy: -1.366
local terms energy: -624.008241
where:
bonds (distance) C4'-P energy: -110.511
bonds (distance) P-C4' energy: -144.981
flat angles C4'-P-C4' energy: -152.404
flat angles P-C4'-P energy: -87.272
tors. eta vs tors. theta energy: -128.840
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: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2771.746067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.746067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.244981 (E_RNA)
where:
Base-Base interactions energy: -1917.007
where: short stacking energy: -822.389
Base-Backbone interact. energy: -5.186
local terms energy: -851.051616
where:
bonds (distance) C4'-P energy: -165.382
bonds (distance) P-C4' energy: -166.580
flat angles C4'-P-C4' energy: -176.392
flat angles P-C4'-P energy: -114.360
tors. eta vs tors. theta energy: -228.337
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: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2653.472301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.472301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.561790 (E_RNA)
where:
Base-Base interactions energy: -1835.927
where: short stacking energy: -769.057
Base-Backbone interact. energy: -2.424
local terms energy: -816.210365
where:
bonds (distance) C4'-P energy: -154.520
bonds (distance) P-C4' energy: -142.909
flat angles C4'-P-C4' energy: -188.390
flat angles P-C4'-P energy: -112.688
tors. eta vs tors. theta energy: -217.704
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: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2584.467666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.467666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.566516 (E_RNA)
where:
Base-Base interactions energy: -1772.080
where: short stacking energy: -759.231
Base-Backbone interact. energy: -3.043
local terms energy: -810.444005
where:
bonds (distance) C4'-P energy: -165.149
bonds (distance) P-C4' energy: -160.768
flat angles C4'-P-C4' energy: -173.055
flat angles P-C4'-P energy: -98.900
tors. eta vs tors. theta energy: -212.572
Dist. restrs. and SS energy: 1.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2471.327671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.327671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.362544 (E_RNA)
where:
Base-Base interactions energy: -1668.697
where: short stacking energy: -726.635
Base-Backbone interact. energy: -2.148
local terms energy: -804.517296
where:
bonds (distance) C4'-P energy: -142.705
bonds (distance) P-C4' energy: -160.388
flat angles C4'-P-C4' energy: -167.923
flat angles P-C4'-P energy: -103.117
tors. eta vs tors. theta energy: -230.384
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: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2299.893178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.893178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.888648 (E_RNA)
where:
Base-Base interactions energy: -1566.304
where: short stacking energy: -669.860
Base-Backbone interact. energy: -1.143
local terms energy: -734.441485
where:
bonds (distance) C4'-P energy: -143.020
bonds (distance) P-C4' energy: -120.387
flat angles C4'-P-C4' energy: -165.510
flat angles P-C4'-P energy: -113.944
tors. eta vs tors. theta energy: -191.580
Dist. restrs. and SS energy: 1.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2188.537652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.246776 (E_RNA)
where:
Base-Base interactions energy: -1471.784
where: short stacking energy: -668.981
Base-Backbone interact. energy: -1.301
local terms energy: -718.161806
where:
bonds (distance) C4'-P energy: -134.733
bonds (distance) P-C4' energy: -142.612
flat angles C4'-P-C4' energy: -164.161
flat angles P-C4'-P energy: -91.327
tors. eta vs tors. theta energy: -185.329
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2126.914425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.914425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.359763 (E_RNA)
where:
Base-Base interactions energy: -1438.599
where: short stacking energy: -617.079
Base-Backbone interact. energy: 0.546
local terms energy: -692.306417
where:
bonds (distance) C4'-P energy: -135.876
bonds (distance) P-C4' energy: -128.420
flat angles C4'-P-C4' energy: -150.420
flat angles P-C4'-P energy: -90.896
tors. eta vs tors. theta energy: -186.694
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: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2024.537945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.537945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.963898 (E_RNA)
where:
Base-Base interactions energy: -1365.327
where: short stacking energy: -583.469
Base-Backbone interact. energy: 3.704
local terms energy: -666.340768
where:
bonds (distance) C4'-P energy: -129.171
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -148.441
flat angles P-C4'-P energy: -97.204
tors. eta vs tors. theta energy: -153.311
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: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1924.274644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.274644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.054210 (E_RNA)
where:
Base-Base interactions energy: -1296.120
where: short stacking energy: -530.626
Base-Backbone interact. energy: -2.089
local terms energy: -628.845931
where:
bonds (distance) C4'-P energy: -138.023
bonds (distance) P-C4' energy: -140.404
flat angles C4'-P-C4' energy: -135.548
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -138.793
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: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1837.445515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.445515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.296069 (E_RNA)
where:
Base-Base interactions energy: -1280.967
where: short stacking energy: -516.636
Base-Backbone interact. energy: -0.826
local terms energy: -561.502738
where:
bonds (distance) C4'-P energy: -111.390
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -122.020
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -133.277
Dist. restrs. and SS energy: 5.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2782.007492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.007492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.885491 (E_RNA)
where:
Base-Base interactions energy: -1902.307
where: short stacking energy: -824.216
Base-Backbone interact. energy: -1.430
local terms energy: -879.147709
where:
bonds (distance) C4'-P energy: -149.645
bonds (distance) P-C4' energy: -167.936
flat angles C4'-P-C4' energy: -187.423
flat angles P-C4'-P energy: -130.532
tors. eta vs tors. theta energy: -243.612
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2660.851233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.851233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.869967 (E_RNA)
where:
Base-Base interactions energy: -1804.074
where: short stacking energy: -801.472
Base-Backbone interact. energy: -1.743
local terms energy: -856.052173
where:
bonds (distance) C4'-P energy: -160.395
bonds (distance) P-C4' energy: -172.905
flat angles C4'-P-C4' energy: -174.289
flat angles P-C4'-P energy: -126.749
tors. eta vs tors. theta energy: -221.714
Dist. restrs. and SS energy: 1.019 (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: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2536.136040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.136040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.578316 (E_RNA)
where:
Base-Base interactions energy: -1724.678
where: short stacking energy: -739.998
Base-Backbone interact. energy: -2.609
local terms energy: -810.291902
where:
bonds (distance) C4'-P energy: -151.640
bonds (distance) P-C4' energy: -150.233
flat angles C4'-P-C4' energy: -179.372
flat angles P-C4'-P energy: -117.329
tors. eta vs tors. theta energy: -211.719
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: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2537.026490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.026490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.316072 (E_RNA)
where:
Base-Base interactions energy: -1730.100
where: short stacking energy: -738.382
Base-Backbone interact. energy: -5.653
local terms energy: -803.562375
where:
bonds (distance) C4'-P energy: -133.327
bonds (distance) P-C4' energy: -148.765
flat angles C4'-P-C4' energy: -178.878
flat angles P-C4'-P energy: -123.189
tors. eta vs tors. theta energy: -219.403
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2299.082969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.082969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.953793 (E_RNA)
where:
Base-Base interactions energy: -1550.396
where: short stacking energy: -656.763
Base-Backbone interact. energy: -1.721
local terms energy: -749.836935
where:
bonds (distance) C4'-P energy: -144.980
bonds (distance) P-C4' energy: -152.225
flat angles C4'-P-C4' energy: -156.544
flat angles P-C4'-P energy: -112.442
tors. eta vs tors. theta energy: -183.646
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2215.665040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.665040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.255830 (E_RNA)
where:
Base-Base interactions energy: -1528.199
where: short stacking energy: -645.446
Base-Backbone interact. energy: 0.412
local terms energy: -689.468739
where:
bonds (distance) C4'-P energy: -147.831
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -113.051
tors. eta vs tors. theta energy: -161.689
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: 87
Temperature: 1.200000
Total energy: -2150.196118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.196118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.968998 (E_RNA)
where:
Base-Base interactions energy: -1448.976
where: short stacking energy: -634.823
Base-Backbone interact. energy: -2.416
local terms energy: -700.576908
where:
bonds (distance) C4'-P energy: -137.552
bonds (distance) P-C4' energy: -136.364
flat angles C4'-P-C4' energy: -150.319
flat angles P-C4'-P energy: -95.251
tors. eta vs tors. theta energy: -181.091
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2024.233229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.233229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.933981 (E_RNA)
where:
Base-Base interactions energy: -1388.060
where: short stacking energy: -597.713
Base-Backbone interact. energy: 0.581
local terms energy: -639.455143
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -114.676
flat angles C4'-P-C4' energy: -149.125
flat angles P-C4'-P energy: -96.983
tors. eta vs tors. theta energy: -181.218
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: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1957.911961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.911961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.280608 (E_RNA)
where:
Base-Base interactions energy: -1310.229
where: short stacking energy: -549.652
Base-Backbone interact. energy: -0.907
local terms energy: -650.144701
where:
bonds (distance) C4'-P energy: -107.743
bonds (distance) P-C4' energy: -117.023
flat angles C4'-P-C4' energy: -160.899
flat angles P-C4'-P energy: -106.638
tors. eta vs tors. theta energy: -157.842
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1811.915307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.915307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.230161 (E_RNA)
where:
Base-Base interactions energy: -1243.473
where: short stacking energy: -511.978
Base-Backbone interact. energy: 0.458
local terms energy: -573.215286
where:
bonds (distance) C4'-P energy: -119.352
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -127.164
flat angles P-C4'-P energy: -77.046
tors. eta vs tors. theta energy: -119.411
Dist. restrs. and SS energy: 4.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2777.154631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.154631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.657729 (E_RNA)
where:
Base-Base interactions energy: -1907.720
where: short stacking energy: -799.255
Base-Backbone interact. energy: -5.200
local terms energy: -865.738090
where:
bonds (distance) C4'-P energy: -149.034
bonds (distance) P-C4' energy: -164.955
flat angles C4'-P-C4' energy: -178.280
flat angles P-C4'-P energy: -129.355
tors. eta vs tors. theta energy: -244.114
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2671.539003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.539003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.597401 (E_RNA)
where:
Base-Base interactions energy: -1839.352
where: short stacking energy: -799.899
Base-Backbone interact. energy: 1.169
local terms energy: -834.414527
where:
bonds (distance) C4'-P energy: -177.796
bonds (distance) P-C4' energy: -145.809
flat angles C4'-P-C4' energy: -179.061
flat angles P-C4'-P energy: -109.669
tors. eta vs tors. theta energy: -222.078
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: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2569.848864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.848864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.395543 (E_RNA)
where:
Base-Base interactions energy: -1758.483
where: short stacking energy: -750.873
Base-Backbone interact. energy: -5.235
local terms energy: -807.677643
where:
bonds (distance) C4'-P energy: -142.083
bonds (distance) P-C4' energy: -165.680
flat angles C4'-P-C4' energy: -172.899
flat angles P-C4'-P energy: -116.317
tors. eta vs tors. theta energy: -210.698
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: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2552.082827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.082827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.868206 (E_RNA)
where:
Base-Base interactions energy: -1730.443
where: short stacking energy: -739.425
Base-Backbone interact. energy: -3.630
local terms energy: -819.795854
where:
bonds (distance) C4'-P energy: -149.324
bonds (distance) P-C4' energy: -159.859
flat angles C4'-P-C4' energy: -174.076
flat angles P-C4'-P energy: -123.313
tors. eta vs tors. theta energy: -213.224
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2269.168090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.168090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.208457 (E_RNA)
where:
Base-Base interactions energy: -1513.931
where: short stacking energy: -649.613
Base-Backbone interact. energy: 3.691
local terms energy: -762.968898
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -152.014
flat angles C4'-P-C4' energy: -178.041
flat angles P-C4'-P energy: -112.533
tors. eta vs tors. theta energy: -189.856
Dist. restrs. and SS energy: 4.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2230.801920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.801920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.886262 (E_RNA)
where:
Base-Base interactions energy: -1534.068
where: short stacking energy: -679.124
Base-Backbone interact. energy: -2.522
local terms energy: -696.296003
where:
bonds (distance) C4'-P energy: -113.503
bonds (distance) P-C4' energy: -134.793
flat angles C4'-P-C4' energy: -148.756
flat angles P-C4'-P energy: -105.196
tors. eta vs tors. theta energy: -194.049
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2145.167049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.167049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.542263 (E_RNA)
where:
Base-Base interactions energy: -1479.681
where: short stacking energy: -646.904
Base-Backbone interact. energy: -2.781
local terms energy: -666.079595
where:
bonds (distance) C4'-P energy: -132.235
bonds (distance) P-C4' energy: -107.437
flat angles C4'-P-C4' energy: -156.628
flat angles P-C4'-P energy: -97.591
tors. eta vs tors. theta energy: -172.189
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2042.372848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.372848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.005645 (E_RNA)
where:
Base-Base interactions energy: -1363.255
where: short stacking energy: -599.681
Base-Backbone interact. energy: -3.216
local terms energy: -678.534925
where:
bonds (distance) C4'-P energy: -133.644
bonds (distance) P-C4' energy: -118.236
flat angles C4'-P-C4' energy: -166.074
flat angles P-C4'-P energy: -102.806
tors. eta vs tors. theta energy: -157.775
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1967.968980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.968980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.386569 (E_RNA)
where:
Base-Base interactions energy: -1353.778
where: short stacking energy: -585.086
Base-Backbone interact. energy: 1.052
local terms energy: -617.661081
where:
bonds (distance) C4'-P energy: -107.607
bonds (distance) P-C4' energy: -123.384
flat angles C4'-P-C4' energy: -135.541
flat angles P-C4'-P energy: -98.538
tors. eta vs tors. theta energy: -152.591
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1821.964379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.964379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.287107 (E_RNA)
where:
Base-Base interactions energy: -1251.851
where: short stacking energy: -515.158
Base-Backbone interact. energy: -0.680
local terms energy: -571.756102
where:
bonds (distance) C4'-P energy: -111.462
bonds (distance) P-C4' energy: -110.993
flat angles C4'-P-C4' energy: -145.220
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -126.380
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2728.021893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.381774 (E_RNA)
where:
Base-Base interactions energy: -1888.556
where: short stacking energy: -805.624
Base-Backbone interact. energy: -2.600
local terms energy: -838.225260
where:
bonds (distance) C4'-P energy: -149.401
bonds (distance) P-C4' energy: -149.632
flat angles C4'-P-C4' energy: -192.275
flat angles P-C4'-P energy: -126.101
tors. eta vs tors. theta energy: -220.815
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: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2662.225250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.225250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.266986 (E_RNA)
where:
Base-Base interactions energy: -1819.128
where: short stacking energy: -776.983
Base-Backbone interact. energy: -1.682
local terms energy: -842.456618
where:
bonds (distance) C4'-P energy: -164.591
bonds (distance) P-C4' energy: -160.271
flat angles C4'-P-C4' energy: -183.396
flat angles P-C4'-P energy: -124.527
tors. eta vs tors. theta energy: -209.672
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2617.882183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.882183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.117227 (E_RNA)
where:
Base-Base interactions energy: -1792.703
where: short stacking energy: -767.561
Base-Backbone interact. energy: -2.496
local terms energy: -824.917634
where:
bonds (distance) C4'-P energy: -157.914
bonds (distance) P-C4' energy: -153.456
flat angles C4'-P-C4' energy: -181.763
flat angles P-C4'-P energy: -114.176
tors. eta vs tors. theta energy: -217.609
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2568.828773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.828773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.124596 (E_RNA)
where:
Base-Base interactions energy: -1744.361
where: short stacking energy: -765.656
Base-Backbone interact. energy: -1.200
local terms energy: -824.563019
where:
bonds (distance) C4'-P energy: -150.581
bonds (distance) P-C4' energy: -151.246
flat angles C4'-P-C4' energy: -164.801
flat angles P-C4'-P energy: -124.508
tors. eta vs tors. theta energy: -233.426
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2267.202336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.202336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.478688 (E_RNA)
where:
Base-Base interactions energy: -1526.874
where: short stacking energy: -669.209
Base-Backbone interact. energy: 1.386
local terms energy: -743.990183
where:
bonds (distance) C4'-P energy: -136.217
bonds (distance) P-C4' energy: -152.571
flat angles C4'-P-C4' energy: -164.911
flat angles P-C4'-P energy: -118.592
tors. eta vs tors. theta energy: -171.700
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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2177.270763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.270763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.892162 (E_RNA)
where:
Base-Base interactions energy: -1468.193
where: short stacking energy: -639.204
Base-Backbone interact. energy: -0.662
local terms energy: -710.036691
where:
bonds (distance) C4'-P energy: -139.252
bonds (distance) P-C4' energy: -149.725
flat angles C4'-P-C4' energy: -162.146
flat angles P-C4'-P energy: -78.519
tors. eta vs tors. theta energy: -180.395
Dist. restrs. and SS energy: 1.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2139.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.180865 (E_RNA)
where:
Base-Base interactions energy: -1459.731
where: short stacking energy: -642.679
Base-Backbone interact. energy: 6.551
local terms energy: -689.001804
where:
bonds (distance) C4'-P energy: -122.689
bonds (distance) P-C4' energy: -141.743
flat angles C4'-P-C4' energy: -157.516
flat angles P-C4'-P energy: -87.757
tors. eta vs tors. theta energy: -179.298
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: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1995.528552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.528552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.783387 (E_RNA)
where:
Base-Base interactions energy: -1341.047
where: short stacking energy: -577.635
Base-Backbone interact. energy: 0.050
local terms energy: -656.786491
where:
bonds (distance) C4'-P energy: -116.121
bonds (distance) P-C4' energy: -134.881
flat angles C4'-P-C4' energy: -128.264
flat angles P-C4'-P energy: -120.624
tors. eta vs tors. theta energy: -156.897
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: 3
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1959.622836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.622836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.150699 (E_RNA)
where:
Base-Base interactions energy: -1304.950
where: short stacking energy: -558.917
Base-Backbone interact. energy: 5.199
local terms energy: -662.399566
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -145.747
flat angles C4'-P-C4' energy: -150.324
flat angles P-C4'-P energy: -84.667
tors. eta vs tors. theta energy: -145.562
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: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1821.667795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.667795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.251258 (E_RNA)
where:
Base-Base interactions energy: -1259.110
where: short stacking energy: -525.952
Base-Backbone interact. energy: 3.826
local terms energy: -572.966621
where:
bonds (distance) C4'-P energy: -107.151
bonds (distance) P-C4' energy: -122.434
flat angles C4'-P-C4' energy: -146.154
flat angles P-C4'-P energy: -91.366
tors. eta vs tors. theta energy: -105.861
Dist. restrs. and SS energy: 6.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2748.487666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.487666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.149305 (E_RNA)
where:
Base-Base interactions energy: -1910.413
where: short stacking energy: -790.934
Base-Backbone interact. energy: -2.412
local terms energy: -837.324853
where:
bonds (distance) C4'-P energy: -159.639
bonds (distance) P-C4' energy: -170.550
flat angles C4'-P-C4' energy: -175.816
flat angles P-C4'-P energy: -112.848
tors. eta vs tors. theta energy: -218.471
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: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2647.005944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.005944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.668691 (E_RNA)
where:
Base-Base interactions energy: -1817.291
where: short stacking energy: -768.898
Base-Backbone interact. energy: 1.991
local terms energy: -833.368619
where:
bonds (distance) C4'-P energy: -149.015
bonds (distance) P-C4' energy: -160.168
flat angles C4'-P-C4' energy: -185.788
flat angles P-C4'-P energy: -117.592
tors. eta vs tors. theta energy: -220.805
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2592.771744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.771744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.014630 (E_RNA)
where:
Base-Base interactions energy: -1785.052
where: short stacking energy: -754.648
Base-Backbone interact. energy: -1.947
local terms energy: -808.014914
where:
bonds (distance) C4'-P energy: -138.663
bonds (distance) P-C4' energy: -160.911
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -121.467
tors. eta vs tors. theta energy: -226.639
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2543.430949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.430949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.322939 (E_RNA)
where:
Base-Base interactions energy: -1747.788
where: short stacking energy: -724.406
Base-Backbone interact. energy: 5.589
local terms energy: -803.123886
where:
bonds (distance) C4'-P energy: -152.766
bonds (distance) P-C4' energy: -164.994
flat angles C4'-P-C4' energy: -156.550
flat angles P-C4'-P energy: -105.723
tors. eta vs tors. theta energy: -223.092
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2285.142565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.142565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.740803 (E_RNA)
where:
Base-Base interactions energy: -1556.538
where: short stacking energy: -667.676
Base-Backbone interact. energy: -4.616
local terms energy: -725.587112
where:
bonds (distance) C4'-P energy: -132.004
bonds (distance) P-C4' energy: -141.294
flat angles C4'-P-C4' energy: -172.483
flat angles P-C4'-P energy: -97.288
tors. eta vs tors. theta energy: -182.519
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2257.743358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.743358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.225628 (E_RNA)
where:
Base-Base interactions energy: -1528.717
where: short stacking energy: -680.747
Base-Backbone interact. energy: -2.215
local terms energy: -728.293668
where:
bonds (distance) C4'-P energy: -143.892
bonds (distance) P-C4' energy: -152.510
flat angles C4'-P-C4' energy: -151.788
flat angles P-C4'-P energy: -101.198
tors. eta vs tors. theta energy: -178.906
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: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2194.794346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.794346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.163267 (E_RNA)
where:
Base-Base interactions energy: -1472.326
where: short stacking energy: -628.458
Base-Backbone interact. energy: -1.582
local terms energy: -723.254546
where:
bonds (distance) C4'-P energy: -158.651
bonds (distance) P-C4' energy: -129.608
flat angles C4'-P-C4' energy: -148.936
flat angles P-C4'-P energy: -101.304
tors. eta vs tors. theta energy: -184.756
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2020.995568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.995568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.512148 (E_RNA)
where:
Base-Base interactions energy: -1372.278
where: short stacking energy: -559.915
Base-Backbone interact. energy: 0.223
local terms energy: -651.456944
where:
bonds (distance) C4'-P energy: -142.404
bonds (distance) P-C4' energy: -129.300
flat angles C4'-P-C4' energy: -149.957
flat angles P-C4'-P energy: -88.587
tors. eta vs tors. theta energy: -141.210
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1945.103758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.103758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.288283 (E_RNA)
where:
Base-Base interactions energy: -1334.628
where: short stacking energy: -590.989
Base-Backbone interact. energy: -2.322
local terms energy: -610.338832
where:
bonds (distance) C4'-P energy: -144.263
bonds (distance) P-C4' energy: -120.102
flat angles C4'-P-C4' energy: -139.473
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -139.403
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: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1848.790174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.790174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.136751 (E_RNA)
where:
Base-Base interactions energy: -1280.463
where: short stacking energy: -519.753
Base-Backbone interact. energy: 3.425
local terms energy: -577.098734
where:
bonds (distance) C4'-P energy: -124.099
bonds (distance) P-C4' energy: -124.492
flat angles C4'-P-C4' energy: -127.797
flat angles P-C4'-P energy: -80.513
tors. eta vs tors. theta energy: -120.198
Dist. restrs. and SS energy: 5.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2778.522847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.522847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.948247 (E_RNA)
where:
Base-Base interactions energy: -1934.584
where: short stacking energy: -836.171
Base-Backbone interact. energy: 1.586
local terms energy: -846.949893
where:
bonds (distance) C4'-P energy: -153.751
bonds (distance) P-C4' energy: -153.978
flat angles C4'-P-C4' energy: -183.670
flat angles P-C4'-P energy: -127.786
tors. eta vs tors. theta energy: -227.764
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2636.972748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.972748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.652696 (E_RNA)
where:
Base-Base interactions energy: -1802.139
where: short stacking energy: -763.127
Base-Backbone interact. energy: -1.009
local terms energy: -835.505306
where:
bonds (distance) C4'-P energy: -162.123
bonds (distance) P-C4' energy: -155.979
flat angles C4'-P-C4' energy: -181.125
flat angles P-C4'-P energy: -115.839
tors. eta vs tors. theta energy: -220.438
Dist. restrs. and SS energy: 1.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2616.780172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.780172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.392634 (E_RNA)
where:
Base-Base interactions energy: -1797.603
where: short stacking energy: -772.510
Base-Backbone interact. energy: -1.822
local terms energy: -819.967846
where:
bonds (distance) C4'-P energy: -155.573
bonds (distance) P-C4' energy: -148.786
flat angles C4'-P-C4' energy: -175.566
flat angles P-C4'-P energy: -123.150
tors. eta vs tors. theta energy: -216.892
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2546.249560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.249560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.907592 (E_RNA)
where:
Base-Base interactions energy: -1761.429
where: short stacking energy: -779.135
Base-Backbone interact. energy: -3.607
local terms energy: -783.870855
where:
bonds (distance) C4'-P energy: -120.747
bonds (distance) P-C4' energy: -154.418
flat angles C4'-P-C4' energy: -178.880
flat angles P-C4'-P energy: -100.578
tors. eta vs tors. theta energy: -229.249
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2277.304489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.304489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.138008 (E_RNA)
where:
Base-Base interactions energy: -1546.601
where: short stacking energy: -660.505
Base-Backbone interact. energy: -3.053
local terms energy: -728.484577
where:
bonds (distance) C4'-P energy: -139.426
bonds (distance) P-C4' energy: -146.993
flat angles C4'-P-C4' energy: -148.772
flat angles P-C4'-P energy: -112.725
tors. eta vs tors. theta energy: -180.569
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2231.869934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.869934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.229928 (E_RNA)
where:
Base-Base interactions energy: -1502.477
where: short stacking energy: -661.439
Base-Backbone interact. energy: -1.465
local terms energy: -729.287182
where:
bonds (distance) C4'-P energy: -136.226
bonds (distance) P-C4' energy: -137.088
flat angles C4'-P-C4' energy: -158.816
flat angles P-C4'-P energy: -112.000
tors. eta vs tors. theta energy: -185.157
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2168.901600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.901600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.419993 (E_RNA)
where:
Base-Base interactions energy: -1467.705
where: short stacking energy: -619.813
Base-Backbone interact. energy: -1.991
local terms energy: -700.723489
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -151.010
flat angles C4'-P-C4' energy: -162.462
flat angles P-C4'-P energy: -98.506
tors. eta vs tors. theta energy: -175.018
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: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1997.371745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.371745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.482409 (E_RNA)
where:
Base-Base interactions energy: -1317.458
where: short stacking energy: -567.078
Base-Backbone interact. energy: -1.088
local terms energy: -682.936111
where:
bonds (distance) C4'-P energy: -131.173
bonds (distance) P-C4' energy: -135.638
flat angles C4'-P-C4' energy: -156.588
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -169.064
Dist. restrs. and SS energy: 4.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1956.836394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.836394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.358694 (E_RNA)
where:
Base-Base interactions energy: -1311.129
where: short stacking energy: -538.623
Base-Backbone interact. energy: 7.421
local terms energy: -655.650442
where:
bonds (distance) C4'-P energy: -131.578
bonds (distance) P-C4' energy: -129.032
flat angles C4'-P-C4' energy: -151.456
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -150.359
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1818.801729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.801729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.093695 (E_RNA)
where:
Base-Base interactions energy: -1286.105
where: short stacking energy: -532.635
Base-Backbone interact. energy: -2.058
local terms energy: -535.930116
where:
bonds (distance) C4'-P energy: -107.305
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -111.841
flat angles P-C4'-P energy: -83.320
tors. eta vs tors. theta energy: -107.449
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: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2786.315577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.315577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.806763 (E_RNA)
where:
Base-Base interactions energy: -1927.166
where: short stacking energy: -806.791
Base-Backbone interact. energy: -1.409
local terms energy: -859.231428
where:
bonds (distance) C4'-P energy: -170.707
bonds (distance) P-C4' energy: -161.286
flat angles C4'-P-C4' energy: -181.390
flat angles P-C4'-P energy: -118.189
tors. eta vs tors. theta energy: -227.660
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: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2637.595057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.595057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.900187 (E_RNA)
where:
Base-Base interactions energy: -1801.875
where: short stacking energy: -787.975
Base-Backbone interact. energy: -2.038
local terms energy: -834.987287
where:
bonds (distance) C4'-P energy: -141.409
bonds (distance) P-C4' energy: -162.790
flat angles C4'-P-C4' energy: -192.364
flat angles P-C4'-P energy: -122.478
tors. eta vs tors. theta energy: -215.946
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: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2631.936635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.936635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.130444 (E_RNA)
where:
Base-Base interactions energy: -1802.145
where: short stacking energy: -769.989
Base-Backbone interact. energy: 1.604
local terms energy: -833.589284
where:
bonds (distance) C4'-P energy: -138.668
bonds (distance) P-C4' energy: -173.510
flat angles C4'-P-C4' energy: -178.022
flat angles P-C4'-P energy: -112.326
tors. eta vs tors. theta energy: -231.064
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2564.523624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.523624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.210850 (E_RNA)
where:
Base-Base interactions energy: -1761.952
where: short stacking energy: -768.357
Base-Backbone interact. energy: 0.686
local terms energy: -806.944791
where:
bonds (distance) C4'-P energy: -144.691
bonds (distance) P-C4' energy: -141.197
flat angles C4'-P-C4' energy: -171.779
flat angles P-C4'-P energy: -128.810
tors. eta vs tors. theta energy: -220.468
Dist. restrs. and SS energy: 3.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2285.390902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.390902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.764325 (E_RNA)
where:
Base-Base interactions energy: -1522.528
where: short stacking energy: -656.384
Base-Backbone interact. energy: 0.246
local terms energy: -765.482219
where:
bonds (distance) C4'-P energy: -136.002
bonds (distance) P-C4' energy: -161.116
flat angles C4'-P-C4' energy: -154.737
flat angles P-C4'-P energy: -110.537
tors. eta vs tors. theta energy: -203.090
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2214.762587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.762587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.634281 (E_RNA)
where:
Base-Base interactions energy: -1486.858
where: short stacking energy: -639.391
Base-Backbone interact. energy: 2.693
local terms energy: -733.468976
where:
bonds (distance) C4'-P energy: -136.656
bonds (distance) P-C4' energy: -144.065
flat angles C4'-P-C4' energy: -162.626
flat angles P-C4'-P energy: -112.418
tors. eta vs tors. theta energy: -177.705
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: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -2089.464358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.464358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.898021 (E_RNA)
where:
Base-Base interactions energy: -1407.282
where: short stacking energy: -600.201
Base-Backbone interact. energy: -0.343
local terms energy: -683.273105
where:
bonds (distance) C4'-P energy: -127.230
bonds (distance) P-C4' energy: -143.567
flat angles C4'-P-C4' energy: -148.419
flat angles P-C4'-P energy: -102.891
tors. eta vs tors. theta energy: -161.166
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: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1997.971607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.971607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.712271 (E_RNA)
where:
Base-Base interactions energy: -1373.031
where: short stacking energy: -587.224
Base-Backbone interact. energy: -1.520
local terms energy: -627.160715
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -130.651
flat angles C4'-P-C4' energy: -125.652
flat angles P-C4'-P energy: -103.141
tors. eta vs tors. theta energy: -151.725
Dist. restrs. and SS energy: 3.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1962.529989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.529989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.636699 (E_RNA)
where:
Base-Base interactions energy: -1330.326
where: short stacking energy: -574.844
Base-Backbone interact. energy: -2.033
local terms energy: -633.277833
where:
bonds (distance) C4'-P energy: -106.610
bonds (distance) P-C4' energy: -147.206
flat angles C4'-P-C4' energy: -151.305
flat angles P-C4'-P energy: -95.351
tors. eta vs tors. theta energy: -132.806
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1866.246499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.246499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.309286 (E_RNA)
where:
Base-Base interactions energy: -1263.332
where: short stacking energy: -544.691
Base-Backbone interact. energy: 2.398
local terms energy: -611.375327
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -150.899
flat angles P-C4'-P energy: -78.461
tors. eta vs tors. theta energy: -135.113
Dist. restrs. and SS energy: 6.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2783.971647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.971647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.207163 (E_RNA)
where:
Base-Base interactions energy: -1922.812
where: short stacking energy: -804.819
Base-Backbone interact. energy: 1.181
local terms energy: -863.576102
where:
bonds (distance) C4'-P energy: -158.836
bonds (distance) P-C4' energy: -165.387
flat angles C4'-P-C4' energy: -183.555
flat angles P-C4'-P energy: -132.764
tors. eta vs tors. theta energy: -223.035
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: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2656.200860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.200860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.977807 (E_RNA)
where:
Base-Base interactions energy: -1798.825
where: short stacking energy: -788.925
Base-Backbone interact. energy: -1.106
local terms energy: -858.047308
where:
bonds (distance) C4'-P energy: -159.083
bonds (distance) P-C4' energy: -164.861
flat angles C4'-P-C4' energy: -190.246
flat angles P-C4'-P energy: -115.241
tors. eta vs tors. theta energy: -228.616
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2587.937139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.937139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.283999 (E_RNA)
where:
Base-Base interactions energy: -1770.400
where: short stacking energy: -775.544
Base-Backbone interact. energy: -2.117
local terms energy: -816.766511
where:
bonds (distance) C4'-P energy: -162.608
bonds (distance) P-C4' energy: -146.988
flat angles C4'-P-C4' energy: -177.946
flat angles P-C4'-P energy: -105.192
tors. eta vs tors. theta energy: -224.032
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: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2522.173454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.173454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.246974 (E_RNA)
where:
Base-Base interactions energy: -1753.182
where: short stacking energy: -749.870
Base-Backbone interact. energy: -0.589
local terms energy: -770.475517
where:
bonds (distance) C4'-P energy: -141.525
bonds (distance) P-C4' energy: -142.194
flat angles C4'-P-C4' energy: -158.737
flat angles P-C4'-P energy: -115.627
tors. eta vs tors. theta energy: -212.392
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: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2268.196977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.193875 (E_RNA)
where:
Base-Base interactions energy: -1548.016
where: short stacking energy: -672.266
Base-Backbone interact. energy: -1.205
local terms energy: -720.972355
where:
bonds (distance) C4'-P energy: -137.813
bonds (distance) P-C4' energy: -130.149
flat angles C4'-P-C4' energy: -165.616
flat angles P-C4'-P energy: -101.246
tors. eta vs tors. theta energy: -186.149
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: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2211.211647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.211647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.966209 (E_RNA)
where:
Base-Base interactions energy: -1484.028
where: short stacking energy: -629.521
Base-Backbone interact. energy: -3.896
local terms energy: -726.042673
where:
bonds (distance) C4'-P energy: -150.999
bonds (distance) P-C4' energy: -159.300
flat angles C4'-P-C4' energy: -164.062
flat angles P-C4'-P energy: -90.772
tors. eta vs tors. theta energy: -160.909
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2146.153717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.153717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.132424 (E_RNA)
where:
Base-Base interactions energy: -1428.937
where: short stacking energy: -609.097
Base-Backbone interact. energy: 3.223
local terms energy: -723.417793
where:
bonds (distance) C4'-P energy: -155.182
bonds (distance) P-C4' energy: -141.418
flat angles C4'-P-C4' energy: -157.503
flat angles P-C4'-P energy: -108.845
tors. eta vs tors. theta energy: -160.469
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: 8, replica: 3
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2020.762224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.762224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.129630 (E_RNA)
where:
Base-Base interactions energy: -1343.266
where: short stacking energy: -587.867
Base-Backbone interact. energy: -0.464
local terms energy: -679.399806
where:
bonds (distance) C4'-P energy: -139.788
bonds (distance) P-C4' energy: -141.235
flat angles C4'-P-C4' energy: -141.663
flat angles P-C4'-P energy: -98.051
tors. eta vs tors. theta energy: -158.662
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: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1993.922760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.922760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.943706 (E_RNA)
where:
Base-Base interactions energy: -1362.019
where: short stacking energy: -588.613
Base-Backbone interact. energy: -1.481
local terms energy: -633.443203
where:
bonds (distance) C4'-P energy: -118.218
bonds (distance) P-C4' energy: -139.306
flat angles C4'-P-C4' energy: -130.907
flat angles P-C4'-P energy: -78.328
tors. eta vs tors. theta energy: -166.685
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: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1813.402830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.402830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.735106 (E_RNA)
where:
Base-Base interactions energy: -1249.137
where: short stacking energy: -504.904
Base-Backbone interact. energy: 3.263
local terms energy: -571.861139
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -119.378
flat angles C4'-P-C4' energy: -131.233
flat angles P-C4'-P energy: -70.591
tors. eta vs tors. theta energy: -128.897
Dist. restrs. and SS energy: 4.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2795.914817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.914817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.895867 (E_RNA)
where:
Base-Base interactions energy: -1946.544
where: short stacking energy: -811.949
Base-Backbone interact. energy: -5.411
local terms energy: -844.940978
where:
bonds (distance) C4'-P energy: -158.211
bonds (distance) P-C4' energy: -152.631
flat angles C4'-P-C4' energy: -186.510
flat angles P-C4'-P energy: -120.475
tors. eta vs tors. theta energy: -227.115
Dist. restrs. and SS energy: 0.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2596.560132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.560132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.367875 (E_RNA)
where:
Base-Base interactions energy: -1778.540
where: short stacking energy: -777.703
Base-Backbone interact. energy: 2.544
local terms energy: -822.371509
where:
bonds (distance) C4'-P energy: -148.560
bonds (distance) P-C4' energy: -155.514
flat angles C4'-P-C4' energy: -186.640
flat angles P-C4'-P energy: -121.363
tors. eta vs tors. theta energy: -210.294
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: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2538.803473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.803473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.419372 (E_RNA)
where:
Base-Base interactions energy: -1724.640
where: short stacking energy: -740.027
Base-Backbone interact. energy: 3.701
local terms energy: -819.480291
where:
bonds (distance) C4'-P energy: -146.613
bonds (distance) P-C4' energy: -140.863
flat angles C4'-P-C4' energy: -184.995
flat angles P-C4'-P energy: -133.674
tors. eta vs tors. theta energy: -213.335
Dist. restrs. and SS energy: 1.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2550.150556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.150556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.321030 (E_RNA)
where:
Base-Base interactions energy: -1736.402
where: short stacking energy: -744.062
Base-Backbone interact. energy: -1.437
local terms energy: -814.482254
where:
bonds (distance) C4'-P energy: -161.602
bonds (distance) P-C4' energy: -143.831
flat angles C4'-P-C4' energy: -179.192
flat angles P-C4'-P energy: -113.028
tors. eta vs tors. theta energy: -216.830
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: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2304.374927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.374927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.414009 (E_RNA)
where:
Base-Base interactions energy: -1564.400
where: short stacking energy: -680.009
Base-Backbone interact. energy: -3.076
local terms energy: -738.938582
where:
bonds (distance) C4'-P energy: -138.975
bonds (distance) P-C4' energy: -151.580
flat angles C4'-P-C4' energy: -172.066
flat angles P-C4'-P energy: -89.699
tors. eta vs tors. theta energy: -186.618
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2305.050117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.050117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.962643 (E_RNA)
where:
Base-Base interactions energy: -1557.727
where: short stacking energy: -673.233
Base-Backbone interact. energy: -1.388
local terms energy: -747.847663
where:
bonds (distance) C4'-P energy: -142.379
bonds (distance) P-C4' energy: -145.822
flat angles C4'-P-C4' energy: -162.094
flat angles P-C4'-P energy: -116.462
tors. eta vs tors. theta energy: -181.091
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2132.506919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.506919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.632809 (E_RNA)
where:
Base-Base interactions energy: -1462.417
where: short stacking energy: -598.349
Base-Backbone interact. energy: -0.497
local terms energy: -671.718715
where:
bonds (distance) C4'-P energy: -117.372
bonds (distance) P-C4' energy: -144.178
flat angles C4'-P-C4' energy: -149.310
flat angles P-C4'-P energy: -94.090
tors. eta vs tors. theta energy: -166.768
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: 8, replica: 3
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1976.222555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.222555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.719345 (E_RNA)
where:
Base-Base interactions energy: -1334.199
where: short stacking energy: -567.064
Base-Backbone interact. energy: 5.138
local terms energy: -648.658666
where:
bonds (distance) C4'-P energy: -133.357
bonds (distance) P-C4' energy: -141.866
flat angles C4'-P-C4' energy: -138.159
flat angles P-C4'-P energy: -92.126
tors. eta vs tors. theta energy: -143.152
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1894.803647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.803647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.332765 (E_RNA)
where:
Base-Base interactions energy: -1286.608
where: short stacking energy: -524.288
Base-Backbone interact. energy: -3.815
local terms energy: -606.909654
where:
bonds (distance) C4'-P energy: -123.993
bonds (distance) P-C4' energy: -144.477
flat angles C4'-P-C4' energy: -120.083
flat angles P-C4'-P energy: -84.560
tors. eta vs tors. theta energy: -133.796
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: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1852.541956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.541956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.518413 (E_RNA)
where:
Base-Base interactions energy: -1231.507
where: short stacking energy: -535.844
Base-Backbone interact. energy: 1.261
local terms energy: -630.272475
where:
bonds (distance) C4'-P energy: -110.560
bonds (distance) P-C4' energy: -147.296
flat angles C4'-P-C4' energy: -145.366
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -141.180
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2781.647186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.647186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.428184 (E_RNA)
where:
Base-Base interactions energy: -1935.936
where: short stacking energy: -819.209
Base-Backbone interact. energy: -3.621
local terms energy: -842.870998
where:
bonds (distance) C4'-P energy: -157.704
bonds (distance) P-C4' energy: -147.769
flat angles C4'-P-C4' energy: -186.832
flat angles P-C4'-P energy: -129.911
tors. eta vs tors. theta energy: -220.656
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2565.097958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.097958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.685477 (E_RNA)
where:
Base-Base interactions energy: -1752.154
where: short stacking energy: -756.388
Base-Backbone interact. energy: -0.639
local terms energy: -813.892148
where:
bonds (distance) C4'-P energy: -134.527
bonds (distance) P-C4' energy: -173.164
flat angles C4'-P-C4' energy: -184.509
flat angles P-C4'-P energy: -106.448
tors. eta vs tors. theta energy: -215.244
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: 95
Temperature: 1.000000
Total energy: -2532.513424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.513424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.263166 (E_RNA)
where:
Base-Base interactions energy: -1750.465
where: short stacking energy: -755.873
Base-Backbone interact. energy: 0.162
local terms energy: -784.960057
where:
bonds (distance) C4'-P energy: -148.955
bonds (distance) P-C4' energy: -139.711
flat angles C4'-P-C4' energy: -160.822
flat angles P-C4'-P energy: -112.808
tors. eta vs tors. theta energy: -222.664
Dist. restrs. and SS energy: 2.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2504.974726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.974726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.802603 (E_RNA)
where:
Base-Base interactions energy: -1732.971
where: short stacking energy: -727.730
Base-Backbone interact. energy: -0.024
local terms energy: -773.808109
where:
bonds (distance) C4'-P energy: -139.272
bonds (distance) P-C4' energy: -163.108
flat angles C4'-P-C4' energy: -164.509
flat angles P-C4'-P energy: -97.993
tors. eta vs tors. theta energy: -208.925
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2260.103586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.103586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.481014 (E_RNA)
where:
Base-Base interactions energy: -1485.325
where: short stacking energy: -657.968
Base-Backbone interact. energy: -2.480
local terms energy: -774.675789
where:
bonds (distance) C4'-P energy: -140.156
bonds (distance) P-C4' energy: -170.023
flat angles C4'-P-C4' energy: -158.081
flat angles P-C4'-P energy: -109.007
tors. eta vs tors. theta energy: -197.409
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: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2252.391500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.391500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.777460 (E_RNA)
where:
Base-Base interactions energy: -1540.036
where: short stacking energy: -654.643
Base-Backbone interact. energy: 0.460
local terms energy: -714.201945
where:
bonds (distance) C4'-P energy: -143.300
bonds (distance) P-C4' energy: -123.663
flat angles C4'-P-C4' energy: -167.516
flat angles P-C4'-P energy: -107.595
tors. eta vs tors. theta energy: -172.129
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: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2118.819901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.819901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.094912 (E_RNA)
where:
Base-Base interactions energy: -1438.278
where: short stacking energy: -635.916
Base-Backbone interact. energy: -1.471
local terms energy: -681.345642
where:
bonds (distance) C4'-P energy: -131.967
bonds (distance) P-C4' energy: -130.639
flat angles C4'-P-C4' energy: -154.577
flat angles P-C4'-P energy: -95.956
tors. eta vs tors. theta energy: -168.208
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: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2005.226159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.226159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.291996 (E_RNA)
where:
Base-Base interactions energy: -1325.873
where: short stacking energy: -571.102
Base-Backbone interact. energy: -2.586
local terms energy: -679.832365
where:
bonds (distance) C4'-P energy: -135.649
bonds (distance) P-C4' energy: -129.030
flat angles C4'-P-C4' energy: -153.973
flat angles P-C4'-P energy: -100.508
tors. eta vs tors. theta energy: -160.673
Dist. restrs. and SS energy: 3.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1924.550449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.550449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.943809 (E_RNA)
where:
Base-Base interactions energy: -1281.513
where: short stacking energy: -538.062
Base-Backbone interact. energy: 1.535
local terms energy: -646.966517
where:
bonds (distance) C4'-P energy: -142.617
bonds (distance) P-C4' energy: -124.605
flat angles C4'-P-C4' energy: -157.068
flat angles P-C4'-P energy: -79.791
tors. eta vs tors. theta energy: -142.885
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: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1842.509185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.509185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.088844 (E_RNA)
where:
Base-Base interactions energy: -1267.483
where: short stacking energy: -504.429
Base-Backbone interact. energy: 0.049
local terms energy: -580.654591
where:
bonds (distance) C4'-P energy: -107.321
bonds (distance) P-C4' energy: -133.896
flat angles C4'-P-C4' energy: -125.550
flat angles P-C4'-P energy: -79.380
tors. eta vs tors. theta energy: -134.508
Dist. restrs. and SS energy: 5.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2821.568857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.568857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.071596 (E_RNA)
where:
Base-Base interactions energy: -1930.352
where: short stacking energy: -812.200
Base-Backbone interact. energy: -5.595
local terms energy: -888.123658
where:
bonds (distance) C4'-P energy: -166.703
bonds (distance) P-C4' energy: -175.028
flat angles C4'-P-C4' energy: -184.582
flat angles P-C4'-P energy: -126.338
tors. eta vs tors. theta energy: -235.473
Dist. restrs. and SS energy: 2.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2637.274511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.274511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.451047 (E_RNA)
where:
Base-Base interactions energy: -1803.470
where: short stacking energy: -756.126
Base-Backbone interact. energy: -0.224
local terms energy: -834.756635
where:
bonds (distance) C4'-P energy: -137.532
bonds (distance) P-C4' energy: -164.157
flat angles C4'-P-C4' energy: -187.921
flat angles P-C4'-P energy: -126.632
tors. eta vs tors. theta energy: -218.515
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: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2517.313784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.313784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.504402 (E_RNA)
where:
Base-Base interactions energy: -1699.377
where: short stacking energy: -725.786
Base-Backbone interact. energy: 2.150
local terms energy: -822.276988
where:
bonds (distance) C4'-P energy: -152.519
bonds (distance) P-C4' energy: -161.679
flat angles C4'-P-C4' energy: -183.351
flat angles P-C4'-P energy: -114.742
tors. eta vs tors. theta energy: -209.985
Dist. restrs. and SS energy: 2.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2474.953903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.953903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.701556 (E_RNA)
where:
Base-Base interactions energy: -1686.082
where: short stacking energy: -731.884
Base-Backbone interact. energy: -0.410
local terms energy: -790.208903
where:
bonds (distance) C4'-P energy: -150.514
bonds (distance) P-C4' energy: -158.699
flat angles C4'-P-C4' energy: -161.791
flat angles P-C4'-P energy: -111.602
tors. eta vs tors. theta energy: -207.603
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2328.888486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.888486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.874665 (E_RNA)
where:
Base-Base interactions energy: -1575.931
where: short stacking energy: -690.665
Base-Backbone interact. energy: -1.810
local terms energy: -754.134365
where:
bonds (distance) C4'-P energy: -146.819
bonds (distance) P-C4' energy: -147.112
flat angles C4'-P-C4' energy: -166.246
flat angles P-C4'-P energy: -106.094
tors. eta vs tors. theta energy: -187.863
Dist. restrs. and SS energy: 2.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2257.383717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.383717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.139445 (E_RNA)
where:
Base-Base interactions energy: -1524.717
where: short stacking energy: -685.639
Base-Backbone interact. energy: 2.923
local terms energy: -738.345421
where:
bonds (distance) C4'-P energy: -124.691
bonds (distance) P-C4' energy: -147.610
flat angles C4'-P-C4' energy: -172.225
flat angles P-C4'-P energy: -104.384
tors. eta vs tors. theta energy: -189.434
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: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2045.739834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.739834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.614943 (E_RNA)
where:
Base-Base interactions energy: -1365.069
where: short stacking energy: -594.358
Base-Backbone interact. energy: 2.096
local terms energy: -684.642033
where:
bonds (distance) C4'-P energy: -143.232
bonds (distance) P-C4' energy: -162.513
flat angles C4'-P-C4' energy: -130.673
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -149.027
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: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -2055.059644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.059644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.574884 (E_RNA)
where:
Base-Base interactions energy: -1397.941
where: short stacking energy: -600.110
Base-Backbone interact. energy: -0.837
local terms energy: -664.797139
where:
bonds (distance) C4'-P energy: -115.439
bonds (distance) P-C4' energy: -136.513
flat angles C4'-P-C4' energy: -143.140
flat angles P-C4'-P energy: -102.999
tors. eta vs tors. theta energy: -166.706
Dist. restrs. and SS energy: 8.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1897.738626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.738626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.644464 (E_RNA)
where:
Base-Base interactions energy: -1292.048
where: short stacking energy: -538.369
Base-Backbone interact. energy: -2.558
local terms energy: -606.038564
where:
bonds (distance) C4'-P energy: -125.048
bonds (distance) P-C4' energy: -122.026
flat angles C4'-P-C4' energy: -139.083
flat angles P-C4'-P energy: -74.395
tors. eta vs tors. theta energy: -145.488
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: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1890.123216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.123216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.549434 (E_RNA)
where:
Base-Base interactions energy: -1295.139
where: short stacking energy: -547.528
Base-Backbone interact. energy: 1.284
local terms energy: -600.694878
where:
bonds (distance) C4'-P energy: -91.983
bonds (distance) P-C4' energy: -144.843
flat angles C4'-P-C4' energy: -141.237
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -133.196
Dist. restrs. and SS energy: 4.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2794.095467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.095467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.138396 (E_RNA)
where:
Base-Base interactions energy: -1917.555
where: short stacking energy: -809.614
Base-Backbone interact. energy: -3.127
local terms energy: -875.456441
where:
bonds (distance) C4'-P energy: -161.934
bonds (distance) P-C4' energy: -144.904
flat angles C4'-P-C4' energy: -201.906
flat angles P-C4'-P energy: -137.960
tors. eta vs tors. theta energy: -228.752
Dist. restrs. and SS energy: 2.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2622.875918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.875918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.318890 (E_RNA)
where:
Base-Base interactions energy: -1805.687
where: short stacking energy: -761.821
Base-Backbone interact. energy: -3.463
local terms energy: -817.168584
where:
bonds (distance) C4'-P energy: -139.981
bonds (distance) P-C4' energy: -166.087
flat angles C4'-P-C4' energy: -174.221
flat angles P-C4'-P energy: -119.171
tors. eta vs tors. theta energy: -217.709
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: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2506.670325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.670325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.528570 (E_RNA)
where:
Base-Base interactions energy: -1697.720
where: short stacking energy: -741.674
Base-Backbone interact. energy: -0.114
local terms energy: -811.695005
where:
bonds (distance) C4'-P energy: -146.913
bonds (distance) P-C4' energy: -157.964
flat angles C4'-P-C4' energy: -169.618
flat angles P-C4'-P energy: -125.559
tors. eta vs tors. theta energy: -211.641
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: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2504.145753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.145753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.389821 (E_RNA)
where:
Base-Base interactions energy: -1728.146
where: short stacking energy: -744.985
Base-Backbone interact. energy: 1.922
local terms energy: -781.165957
where:
bonds (distance) C4'-P energy: -135.032
bonds (distance) P-C4' energy: -142.239
flat angles C4'-P-C4' energy: -178.793
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -220.630
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2327.613517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.613517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.757734 (E_RNA)
where:
Base-Base interactions energy: -1571.520
where: short stacking energy: -672.349
Base-Backbone interact. energy: 1.883
local terms energy: -760.120550
where:
bonds (distance) C4'-P energy: -146.180
bonds (distance) P-C4' energy: -160.921
flat angles C4'-P-C4' energy: -165.548
flat angles P-C4'-P energy: -107.815
tors. eta vs tors. theta energy: -179.657
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: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2225.558225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.558225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.295744 (E_RNA)
where:
Base-Base interactions energy: -1519.772
where: short stacking energy: -648.818
Base-Backbone interact. energy: 4.253
local terms energy: -711.777503
where:
bonds (distance) C4'-P energy: -129.848
bonds (distance) P-C4' energy: -128.884
flat angles C4'-P-C4' energy: -155.870
flat angles P-C4'-P energy: -113.500
tors. eta vs tors. theta energy: -183.675
Dist. restrs. and SS energy: 1.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2084.409308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.409308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.836975 (E_RNA)
where:
Base-Base interactions energy: -1395.728
where: short stacking energy: -589.871
Base-Backbone interact. energy: 1.523
local terms energy: -692.632646
where:
bonds (distance) C4'-P energy: -132.625
bonds (distance) P-C4' energy: -133.663
flat angles C4'-P-C4' energy: -156.860
flat angles P-C4'-P energy: -101.538
tors. eta vs tors. theta energy: -167.947
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2025.749327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.749327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.245331 (E_RNA)
where:
Base-Base interactions energy: -1369.008
where: short stacking energy: -577.210
Base-Backbone interact. energy: 0.974
local terms energy: -661.211249
where:
bonds (distance) C4'-P energy: -133.782
bonds (distance) P-C4' energy: -133.991
flat angles C4'-P-C4' energy: -160.247
flat angles P-C4'-P energy: -67.614
tors. eta vs tors. theta energy: -165.577
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: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1933.628699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.628699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.681007 (E_RNA)
where:
Base-Base interactions energy: -1309.194
where: short stacking energy: -536.318
Base-Backbone interact. energy: 1.174
local terms energy: -627.661124
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -129.992
flat angles C4'-P-C4' energy: -158.554
flat angles P-C4'-P energy: -86.224
tors. eta vs tors. theta energy: -129.513
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: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1854.860962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.860962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.264411 (E_RNA)
where:
Base-Base interactions energy: -1273.538
where: short stacking energy: -537.464
Base-Backbone interact. energy: 4.777
local terms energy: -590.503828
where:
bonds (distance) C4'-P energy: -106.883
bonds (distance) P-C4' energy: -132.444
flat angles C4'-P-C4' energy: -145.876
flat angles P-C4'-P energy: -85.372
tors. eta vs tors. theta energy: -119.930
Dist. restrs. and SS energy: 4.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2782.987051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.987051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.021148 (E_RNA)
where:
Base-Base interactions energy: -1919.571
where: short stacking energy: -795.935
Base-Backbone interact. energy: -4.950
local terms energy: -860.499737
where:
bonds (distance) C4'-P energy: -158.145
bonds (distance) P-C4' energy: -159.333
flat angles C4'-P-C4' energy: -188.404
flat angles P-C4'-P energy: -126.933
tors. eta vs tors. theta energy: -227.685
Dist. restrs. and SS energy: 2.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2627.501511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.501511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.962733 (E_RNA)
where:
Base-Base interactions energy: -1805.356
where: short stacking energy: -777.984
Base-Backbone interact. energy: -3.883
local terms energy: -820.723679
where:
bonds (distance) C4'-P energy: -143.648
bonds (distance) P-C4' energy: -150.474
flat angles C4'-P-C4' energy: -174.935
flat angles P-C4'-P energy: -128.084
tors. eta vs tors. theta energy: -223.582
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2505.674483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.674483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.169702 (E_RNA)
where:
Base-Base interactions energy: -1719.444
where: short stacking energy: -729.818
Base-Backbone interact. energy: 2.031
local terms energy: -791.756793
where:
bonds (distance) C4'-P energy: -155.976
bonds (distance) P-C4' energy: -148.280
flat angles C4'-P-C4' energy: -176.253
flat angles P-C4'-P energy: -110.257
tors. eta vs tors. theta energy: -200.991
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2511.587022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.587022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.574909 (E_RNA)
where:
Base-Base interactions energy: -1721.439
where: short stacking energy: -779.004
Base-Backbone interact. energy: -1.217
local terms energy: -789.918668
where:
bonds (distance) C4'-P energy: -134.219
bonds (distance) P-C4' energy: -153.580
flat angles C4'-P-C4' energy: -176.154
flat angles P-C4'-P energy: -107.630
tors. eta vs tors. theta energy: -218.336
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: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2308.406778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.406778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.060159 (E_RNA)
where:
Base-Base interactions energy: -1565.028
where: short stacking energy: -702.489
Base-Backbone interact. energy: 0.620
local terms energy: -745.652164
where:
bonds (distance) C4'-P energy: -145.214
bonds (distance) P-C4' energy: -149.709
flat angles C4'-P-C4' energy: -166.976
flat angles P-C4'-P energy: -84.936
tors. eta vs tors. theta energy: -198.817
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: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2214.736152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.736152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.999101 (E_RNA)
where:
Base-Base interactions energy: -1480.942
where: short stacking energy: -640.434
Base-Backbone interact. energy: 1.436
local terms energy: -737.492695
where:
bonds (distance) C4'-P energy: -127.919
bonds (distance) P-C4' energy: -142.900
flat angles C4'-P-C4' energy: -167.876
flat angles P-C4'-P energy: -115.353
tors. eta vs tors. theta energy: -183.444
Dist. restrs. and SS energy: 2.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2135.562096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.562096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.802051 (E_RNA)
where:
Base-Base interactions energy: -1427.034
where: short stacking energy: -635.690
Base-Backbone interact. energy: 5.523
local terms energy: -716.290274
where:
bonds (distance) C4'-P energy: -137.294
bonds (distance) P-C4' energy: -141.610
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -188.678
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: 98
Temperature: 1.250000
Total energy: -2065.952886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.952886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.385213 (E_RNA)
where:
Base-Base interactions energy: -1382.464
where: short stacking energy: -621.053
Base-Backbone interact. energy: -0.478
local terms energy: -685.443502
where:
bonds (distance) C4'-P energy: -135.309
bonds (distance) P-C4' energy: -151.044
flat angles C4'-P-C4' energy: -139.275
flat angles P-C4'-P energy: -102.892
tors. eta vs tors. theta energy: -156.924
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: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1919.116590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.116590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.499585 (E_RNA)
where:
Base-Base interactions energy: -1302.265
where: short stacking energy: -565.844
Base-Backbone interact. energy: -3.105
local terms energy: -617.129455
where:
bonds (distance) C4'-P energy: -124.366
bonds (distance) P-C4' energy: -109.215
flat angles C4'-P-C4' energy: -148.527
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -147.411
Dist. restrs. and SS energy: 3.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1870.595914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.595914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.221284 (E_RNA)
where:
Base-Base interactions energy: -1295.668
where: short stacking energy: -538.673
Base-Backbone interact. energy: -1.619
local terms energy: -576.934318
where:
bonds (distance) C4'-P energy: -122.440
bonds (distance) P-C4' energy: -117.100
flat angles C4'-P-C4' energy: -128.948
flat angles P-C4'-P energy: -78.923
tors. eta vs tors. theta energy: -129.523
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: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2725.517492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.517492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.211958 (E_RNA)
where:
Base-Base interactions energy: -1872.262
where: short stacking energy: -784.662
Base-Backbone interact. energy: -4.098
local terms energy: -851.852608
where:
bonds (distance) C4'-P energy: -157.448
bonds (distance) P-C4' energy: -168.705
flat angles C4'-P-C4' energy: -180.361
flat angles P-C4'-P energy: -135.020
tors. eta vs tors. theta energy: -210.319
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2626.219218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.219218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.155839 (E_RNA)
where:
Base-Base interactions energy: -1803.451
where: short stacking energy: -792.455
Base-Backbone interact. energy: 5.810
local terms energy: -831.515419
where:
bonds (distance) C4'-P energy: -160.504
bonds (distance) P-C4' energy: -144.074
flat angles C4'-P-C4' energy: -172.063
flat angles P-C4'-P energy: -133.983
tors. eta vs tors. theta energy: -220.891
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: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2489.419298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.419298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.890961 (E_RNA)
where:
Base-Base interactions energy: -1683.367
where: short stacking energy: -716.353
Base-Backbone interact. energy: 0.339
local terms energy: -808.863308
where:
bonds (distance) C4'-P energy: -167.724
bonds (distance) P-C4' energy: -157.220
flat angles C4'-P-C4' energy: -166.344
flat angles P-C4'-P energy: -112.186
tors. eta vs tors. theta energy: -205.389
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2502.751170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.751170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.073834 (E_RNA)
where:
Base-Base interactions energy: -1682.886
where: short stacking energy: -738.442
Base-Backbone interact. energy: -2.589
local terms energy: -819.599232
where:
bonds (distance) C4'-P energy: -155.169
bonds (distance) P-C4' energy: -158.685
flat angles C4'-P-C4' energy: -176.630
flat angles P-C4'-P energy: -112.930
tors. eta vs tors. theta energy: -216.185
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: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2269.655695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.655695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.570631 (E_RNA)
where:
Base-Base interactions energy: -1520.597
where: short stacking energy: -671.582
Base-Backbone interact. energy: 3.792
local terms energy: -754.766238
where:
bonds (distance) C4'-P energy: -145.674
bonds (distance) P-C4' energy: -167.308
flat angles C4'-P-C4' energy: -147.505
flat angles P-C4'-P energy: -103.804
tors. eta vs tors. theta energy: -190.476
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: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2174.316269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.316269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.282919 (E_RNA)
where:
Base-Base interactions energy: -1472.588
where: short stacking energy: -629.287
Base-Backbone interact. energy: -5.904
local terms energy: -697.790929
where:
bonds (distance) C4'-P energy: -136.899
bonds (distance) P-C4' energy: -136.233
flat angles C4'-P-C4' energy: -162.842
flat angles P-C4'-P energy: -90.783
tors. eta vs tors. theta energy: -171.034
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: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2096.859572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.859572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.965072 (E_RNA)
where:
Base-Base interactions energy: -1402.497
where: short stacking energy: -583.175
Base-Backbone interact. energy: -2.949
local terms energy: -693.519684
where:
bonds (distance) C4'-P energy: -144.364
bonds (distance) P-C4' energy: -143.219
flat angles C4'-P-C4' energy: -152.034
flat angles P-C4'-P energy: -96.060
tors. eta vs tors. theta energy: -157.843
Dist. restrs. and SS energy: 2.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2087.020984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.020984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.847216 (E_RNA)
where:
Base-Base interactions energy: -1434.917
where: short stacking energy: -609.535
Base-Backbone interact. energy: -0.697
local terms energy: -654.233803
where:
bonds (distance) C4'-P energy: -116.562
bonds (distance) P-C4' energy: -123.223
flat angles C4'-P-C4' energy: -144.029
flat angles P-C4'-P energy: -103.703
tors. eta vs tors. theta energy: -166.717
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: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1966.674349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.674349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.160367 (E_RNA)
where:
Base-Base interactions energy: -1326.425
where: short stacking energy: -565.736
Base-Backbone interact. energy: -0.669
local terms energy: -643.065646
where:
bonds (distance) C4'-P energy: -107.948
bonds (distance) P-C4' energy: -153.364
flat angles C4'-P-C4' energy: -145.319
flat angles P-C4'-P energy: -99.507
tors. eta vs tors. theta energy: -136.928
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: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1873.859673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.859673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.815008 (E_RNA)
where:
Base-Base interactions energy: -1272.610
where: short stacking energy: -534.068
Base-Backbone interact. energy: 1.396
local terms energy: -606.600674
where:
bonds (distance) C4'-P energy: -146.974
bonds (distance) P-C4' energy: -125.600
flat angles C4'-P-C4' energy: -135.034
flat angles P-C4'-P energy: -77.255
tors. eta vs tors. theta energy: -121.739
Dist. restrs. and SS energy: 3.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2753.693221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.693221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.464595 (E_RNA)
where:
Base-Base interactions energy: -1907.559
where: short stacking energy: -794.899
Base-Backbone interact. energy: -3.373
local terms energy: -845.532938
where:
bonds (distance) C4'-P energy: -152.855
bonds (distance) P-C4' energy: -163.128
flat angles C4'-P-C4' energy: -181.675
flat angles P-C4'-P energy: -127.909
tors. eta vs tors. theta energy: -219.967
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: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2635.577788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.577788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.974582 (E_RNA)
where:
Base-Base interactions energy: -1801.001
where: short stacking energy: -792.044
Base-Backbone interact. energy: 2.610
local terms energy: -839.583526
where:
bonds (distance) C4'-P energy: -151.467
bonds (distance) P-C4' energy: -158.817
flat angles C4'-P-C4' energy: -182.909
flat angles P-C4'-P energy: -126.512
tors. eta vs tors. theta energy: -219.878
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2564.377020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.377020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.588851 (E_RNA)
where:
Base-Base interactions energy: -1726.370
where: short stacking energy: -776.785
Base-Backbone interact. energy: 3.423
local terms energy: -843.641828
where:
bonds (distance) C4'-P energy: -155.340
bonds (distance) P-C4' energy: -159.453
flat angles C4'-P-C4' energy: -192.743
flat angles P-C4'-P energy: -118.599
tors. eta vs tors. theta energy: -217.506
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2550.821788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.821788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.817102 (E_RNA)
where:
Base-Base interactions energy: -1756.397
where: short stacking energy: -772.106
Base-Backbone interact. energy: -2.593
local terms energy: -794.826441
where:
bonds (distance) C4'-P energy: -134.280
bonds (distance) P-C4' energy: -141.856
flat angles C4'-P-C4' energy: -168.539
flat angles P-C4'-P energy: -121.974
tors. eta vs tors. theta energy: -228.177
Dist. restrs. and SS energy: 2.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2300.710346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.710346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.562306 (E_RNA)
where:
Base-Base interactions energy: -1530.997
where: short stacking energy: -659.397
Base-Backbone interact. energy: -2.236
local terms energy: -769.329255
where:
bonds (distance) C4'-P energy: -154.813
bonds (distance) P-C4' energy: -159.533
flat angles C4'-P-C4' energy: -150.065
flat angles P-C4'-P energy: -117.520
tors. eta vs tors. theta energy: -187.397
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2198.290357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.290357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.593063 (E_RNA)
where:
Base-Base interactions energy: -1468.604
where: short stacking energy: -631.652
Base-Backbone interact. energy: -0.881
local terms energy: -733.108352
where:
bonds (distance) C4'-P energy: -142.413
bonds (distance) P-C4' energy: -141.152
flat angles C4'-P-C4' energy: -169.293
flat angles P-C4'-P energy: -105.944
tors. eta vs tors. theta energy: -174.306
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2073.028084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.028084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.384917 (E_RNA)
where:
Base-Base interactions energy: -1395.633
where: short stacking energy: -621.046
Base-Backbone interact. energy: 1.628
local terms energy: -681.379927
where:
bonds (distance) C4'-P energy: -133.896
bonds (distance) P-C4' energy: -135.385
flat angles C4'-P-C4' energy: -157.102
flat angles P-C4'-P energy: -92.967
tors. eta vs tors. theta energy: -162.031
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2072.754716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.754716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.026819 (E_RNA)
where:
Base-Base interactions energy: -1386.967
where: short stacking energy: -575.488
Base-Backbone interact. energy: -1.105
local terms energy: -687.954645
where:
bonds (distance) C4'-P energy: -127.687
bonds (distance) P-C4' energy: -144.134
flat angles C4'-P-C4' energy: -147.601
flat angles P-C4'-P energy: -104.169
tors. eta vs tors. theta energy: -164.363
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: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1926.660789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.660789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.566575 (E_RNA)
where:
Base-Base interactions energy: -1305.034
where: short stacking energy: -544.272
Base-Backbone interact. energy: -2.396
local terms energy: -621.137009
where:
bonds (distance) C4'-P energy: -122.555
bonds (distance) P-C4' energy: -137.779
flat angles C4'-P-C4' energy: -121.644
flat angles P-C4'-P energy: -94.296
tors. eta vs tors. theta energy: -144.863
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1906.366953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.366953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.450552 (E_RNA)
where:
Base-Base interactions energy: -1289.497
where: short stacking energy: -549.082
Base-Backbone interact. energy: -0.727
local terms energy: -622.226782
where:
bonds (distance) C4'-P energy: -115.272
bonds (distance) P-C4' energy: -120.031
flat angles C4'-P-C4' energy: -136.858
flat angles P-C4'-P energy: -98.083
tors. eta vs tors. theta energy: -151.983
Dist. restrs. and SS energy: 6.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2771.988973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.988973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.472283 (E_RNA)
where:
Base-Base interactions energy: -1934.567
where: short stacking energy: -841.690
Base-Backbone interact. energy: -0.145
local terms energy: -839.759995
where:
bonds (distance) C4'-P energy: -159.508
bonds (distance) P-C4' energy: -167.918
flat angles C4'-P-C4' energy: -183.324
flat angles P-C4'-P energy: -110.805
tors. eta vs tors. theta energy: -218.206
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: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2681.609531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.609531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.047379 (E_RNA)
where:
Base-Base interactions energy: -1844.351
where: short stacking energy: -783.443
Base-Backbone interact. energy: 6.451
local terms energy: -846.147765
where:
bonds (distance) C4'-P energy: -159.588
bonds (distance) P-C4' energy: -144.866
flat angles C4'-P-C4' energy: -186.672
flat angles P-C4'-P energy: -131.533
tors. eta vs tors. theta energy: -223.488
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: 101
Temperature: 1.000000
Total energy: -2552.136449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.136449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.728874 (E_RNA)
where:
Base-Base interactions energy: -1717.812
where: short stacking energy: -784.807
Base-Backbone interact. energy: -1.695
local terms energy: -835.221552
where:
bonds (distance) C4'-P energy: -147.735
bonds (distance) P-C4' energy: -162.305
flat angles C4'-P-C4' energy: -176.860
flat angles P-C4'-P energy: -123.124
tors. eta vs tors. theta energy: -225.197
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: 101
Temperature: 1.050000
Total energy: -2519.769679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.769679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.431173 (E_RNA)
where:
Base-Base interactions energy: -1721.153
where: short stacking energy: -768.906
Base-Backbone interact. energy: 2.919
local terms energy: -804.196937
where:
bonds (distance) C4'-P energy: -138.056
bonds (distance) P-C4' energy: -157.667
flat angles C4'-P-C4' energy: -182.129
flat angles P-C4'-P energy: -100.183
tors. eta vs tors. theta energy: -226.162
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: 5, replica: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2300.716702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.716702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.548783 (E_RNA)
where:
Base-Base interactions energy: -1582.207
where: short stacking energy: -677.807
Base-Backbone interact. energy: 6.546
local terms energy: -726.887796
where:
bonds (distance) C4'-P energy: -136.432
bonds (distance) P-C4' energy: -133.077
flat angles C4'-P-C4' energy: -159.677
flat angles P-C4'-P energy: -101.778
tors. eta vs tors. theta energy: -195.924
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: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2211.861277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.861277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.393068 (E_RNA)
where:
Base-Base interactions energy: -1490.152
where: short stacking energy: -643.445
Base-Backbone interact. energy: -3.900
local terms energy: -721.341182
where:
bonds (distance) C4'-P energy: -135.862
bonds (distance) P-C4' energy: -149.801
flat angles C4'-P-C4' energy: -160.998
flat angles P-C4'-P energy: -105.363
tors. eta vs tors. theta energy: -169.317
Dist. restrs. and SS energy: 3.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2073.302429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.302429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.203030 (E_RNA)
where:
Base-Base interactions energy: -1413.494
where: short stacking energy: -590.067
Base-Backbone interact. energy: 0.836
local terms energy: -663.544522
where:
bonds (distance) C4'-P energy: -135.559
bonds (distance) P-C4' energy: -142.497
flat angles C4'-P-C4' energy: -151.275
flat angles P-C4'-P energy: -82.641
tors. eta vs tors. theta energy: -151.572
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -2046.669636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.669636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.436304 (E_RNA)
where:
Base-Base interactions energy: -1378.684
where: short stacking energy: -582.659
Base-Backbone interact. energy: 0.073
local terms energy: -671.825189
where:
bonds (distance) C4'-P energy: -133.044
bonds (distance) P-C4' energy: -140.536
flat angles C4'-P-C4' energy: -154.382
flat angles P-C4'-P energy: -87.008
tors. eta vs tors. theta energy: -156.855
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1928.602975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.602975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.808979 (E_RNA)
where:
Base-Base interactions energy: -1281.282
where: short stacking energy: -556.037
Base-Backbone interact. energy: 0.428
local terms energy: -651.954609
where:
bonds (distance) C4'-P energy: -136.541
bonds (distance) P-C4' energy: -131.610
flat angles C4'-P-C4' energy: -139.585
flat angles P-C4'-P energy: -93.728
tors. eta vs tors. theta energy: -150.490
Dist. restrs. and SS energy: 4.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1870.424399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.424399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.051202 (E_RNA)
where:
Base-Base interactions energy: -1279.014
where: short stacking energy: -530.884
Base-Backbone interact. energy: 1.294
local terms energy: -595.331289
where:
bonds (distance) C4'-P energy: -113.339
bonds (distance) P-C4' energy: -108.848
flat angles C4'-P-C4' energy: -137.749
flat angles P-C4'-P energy: -114.934
tors. eta vs tors. theta energy: -120.461
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: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2780.437567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.437567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.715793 (E_RNA)
where:
Base-Base interactions energy: -1934.080
where: short stacking energy: -823.701
Base-Backbone interact. energy: -2.871
local terms energy: -845.764794
where:
bonds (distance) C4'-P energy: -162.117
bonds (distance) P-C4' energy: -159.395
flat angles C4'-P-C4' energy: -178.802
flat angles P-C4'-P energy: -125.941
tors. eta vs tors. theta energy: -219.510
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: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2671.743121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.743121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.667218 (E_RNA)
where:
Base-Base interactions energy: -1814.503
where: short stacking energy: -794.516
Base-Backbone interact. energy: -0.517
local terms energy: -859.647514
where:
bonds (distance) C4'-P energy: -154.199
bonds (distance) P-C4' energy: -163.106
flat angles C4'-P-C4' energy: -190.396
flat angles P-C4'-P energy: -114.828
tors. eta vs tors. theta energy: -237.119
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: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2595.203512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.203512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.078448 (E_RNA)
where:
Base-Base interactions energy: -1790.039
where: short stacking energy: -746.588
Base-Backbone interact. energy: -3.890
local terms energy: -803.149803
where:
bonds (distance) C4'-P energy: -135.498
bonds (distance) P-C4' energy: -155.725
flat angles C4'-P-C4' energy: -181.264
flat angles P-C4'-P energy: -106.804
tors. eta vs tors. theta energy: -223.859
Dist. restrs. and SS energy: 1.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2508.056119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.056119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.357342 (E_RNA)
where:
Base-Base interactions energy: -1711.074
where: short stacking energy: -762.549
Base-Backbone interact. energy: 2.521
local terms energy: -801.804145
where:
bonds (distance) C4'-P energy: -147.218
bonds (distance) P-C4' energy: -142.511
flat angles C4'-P-C4' energy: -181.560
flat angles P-C4'-P energy: -106.600
tors. eta vs tors. theta energy: -223.915
Dist. restrs. and SS energy: 2.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2332.538678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.538678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.542783 (E_RNA)
where:
Base-Base interactions energy: -1552.870
where: short stacking energy: -659.994
Base-Backbone interact. energy: -1.940
local terms energy: -779.733269
where:
bonds (distance) C4'-P energy: -160.091
bonds (distance) P-C4' energy: -156.368
flat angles C4'-P-C4' energy: -182.407
flat angles P-C4'-P energy: -98.296
tors. eta vs tors. theta energy: -182.571
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: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2196.544268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.544268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.568644 (E_RNA)
where:
Base-Base interactions energy: -1479.537
where: short stacking energy: -633.235
Base-Backbone interact. energy: -2.368
local terms energy: -716.663482
where:
bonds (distance) C4'-P energy: -130.821
bonds (distance) P-C4' energy: -147.014
flat angles C4'-P-C4' energy: -157.559
flat angles P-C4'-P energy: -110.447
tors. eta vs tors. theta energy: -170.822
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: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2104.799600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.799600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.817380 (E_RNA)
where:
Base-Base interactions energy: -1428.035
where: short stacking energy: -632.765
Base-Backbone interact. energy: -3.042
local terms energy: -675.740883
where:
bonds (distance) C4'-P energy: -117.283
bonds (distance) P-C4' energy: -138.168
flat angles C4'-P-C4' energy: -150.973
flat angles P-C4'-P energy: -104.795
tors. eta vs tors. theta energy: -164.522
Dist. restrs. and SS energy: 2.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2046.005899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.005899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.802275 (E_RNA)
where:
Base-Base interactions energy: -1393.824
where: short stacking energy: -587.541
Base-Backbone interact. energy: 0.541
local terms energy: -656.519284
where:
bonds (distance) C4'-P energy: -118.509
bonds (distance) P-C4' energy: -136.243
flat angles C4'-P-C4' energy: -134.752
flat angles P-C4'-P energy: -103.938
tors. eta vs tors. theta energy: -163.077
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1932.853824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.853824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.118418 (E_RNA)
where:
Base-Base interactions energy: -1312.959
where: short stacking energy: -574.650
Base-Backbone interact. energy: -2.945
local terms energy: -620.214330
where:
bonds (distance) C4'-P energy: -117.952
bonds (distance) P-C4' energy: -125.453
flat angles C4'-P-C4' energy: -136.630
flat angles P-C4'-P energy: -91.992
tors. eta vs tors. theta energy: -148.188
Dist. restrs. and SS energy: 3.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1881.092431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.092431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.288251 (E_RNA)
where:
Base-Base interactions energy: -1272.206
where: short stacking energy: -538.670
Base-Backbone interact. energy: -0.630
local terms energy: -611.452532
where:
bonds (distance) C4'-P energy: -146.796
bonds (distance) P-C4' energy: -129.590
flat angles C4'-P-C4' energy: -131.617
flat angles P-C4'-P energy: -66.168
tors. eta vs tors. theta energy: -137.283
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: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2782.549100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.549100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.141858 (E_RNA)
where:
Base-Base interactions energy: -1957.781
where: short stacking energy: -799.823
Base-Backbone interact. energy: -5.421
local terms energy: -820.940377
where:
bonds (distance) C4'-P energy: -137.994
bonds (distance) P-C4' energy: -163.552
flat angles C4'-P-C4' energy: -167.558
flat angles P-C4'-P energy: -125.619
tors. eta vs tors. theta energy: -226.217
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: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2658.581822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.581822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.459403 (E_RNA)
where:
Base-Base interactions energy: -1818.858
where: short stacking energy: -764.592
Base-Backbone interact. energy: -4.095
local terms energy: -838.506602
where:
bonds (distance) C4'-P energy: -142.363
bonds (distance) P-C4' energy: -182.985
flat angles C4'-P-C4' energy: -175.651
flat angles P-C4'-P energy: -114.926
tors. eta vs tors. theta energy: -222.581
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2661.393411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.393411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.071216 (E_RNA)
where:
Base-Base interactions energy: -1816.406
where: short stacking energy: -795.443
Base-Backbone interact. energy: -5.260
local terms energy: -841.405067
where:
bonds (distance) C4'-P energy: -152.810
bonds (distance) P-C4' energy: -167.956
flat angles C4'-P-C4' energy: -178.392
flat angles P-C4'-P energy: -107.030
tors. eta vs tors. theta energy: -235.217
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2479.287368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.287368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.618740 (E_RNA)
where:
Base-Base interactions energy: -1655.432
where: short stacking energy: -746.220
Base-Backbone interact. energy: -3.697
local terms energy: -821.489560
where:
bonds (distance) C4'-P energy: -161.066
bonds (distance) P-C4' energy: -140.015
flat angles C4'-P-C4' energy: -178.677
flat angles P-C4'-P energy: -121.813
tors. eta vs tors. theta energy: -219.918
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: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2275.246025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.246025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.303499 (E_RNA)
where:
Base-Base interactions energy: -1566.923
where: short stacking energy: -665.702
Base-Backbone interact. energy: 1.542
local terms energy: -711.921610
where:
bonds (distance) C4'-P energy: -110.819
bonds (distance) P-C4' energy: -150.025
flat angles C4'-P-C4' energy: -162.266
flat angles P-C4'-P energy: -103.351
tors. eta vs tors. theta energy: -185.461
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: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2217.344966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.344966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.044265 (E_RNA)
where:
Base-Base interactions energy: -1490.521
where: short stacking energy: -636.121
Base-Backbone interact. energy: -1.062
local terms energy: -727.461575
where:
bonds (distance) C4'-P energy: -154.085
bonds (distance) P-C4' energy: -131.971
flat angles C4'-P-C4' energy: -153.566
flat angles P-C4'-P energy: -101.772
tors. eta vs tors. theta energy: -186.067
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2093.002182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.002182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.372459 (E_RNA)
where:
Base-Base interactions energy: -1406.534
where: short stacking energy: -599.770
Base-Backbone interact. energy: 0.470
local terms energy: -689.308332
where:
bonds (distance) C4'-P energy: -134.269
bonds (distance) P-C4' energy: -144.798
flat angles C4'-P-C4' energy: -161.877
flat angles P-C4'-P energy: -91.255
tors. eta vs tors. theta energy: -157.109
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: 103
Temperature: 1.250000
Total energy: -2055.845663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.845663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.169471 (E_RNA)
where:
Base-Base interactions energy: -1400.397
where: short stacking energy: -606.598
Base-Backbone interact. energy: 0.388
local terms energy: -658.160146
where:
bonds (distance) C4'-P energy: -124.831
bonds (distance) P-C4' energy: -135.539
flat angles C4'-P-C4' energy: -139.218
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: -174.743
Dist. restrs. and SS energy: 2.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1898.095449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.095449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.469465 (E_RNA)
where:
Base-Base interactions energy: -1295.136
where: short stacking energy: -548.974
Base-Backbone interact. energy: -0.260
local terms energy: -609.073403
where:
bonds (distance) C4'-P energy: -121.255
bonds (distance) P-C4' energy: -104.539
flat angles C4'-P-C4' energy: -138.809
flat angles P-C4'-P energy: -101.082
tors. eta vs tors. theta energy: -143.388
Dist. restrs. and SS energy: 6.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1905.301066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.301066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.639141 (E_RNA)
where:
Base-Base interactions energy: -1316.550
where: short stacking energy: -542.177
Base-Backbone interact. energy: 13.482
local terms energy: -604.571530
where:
bonds (distance) C4'-P energy: -116.936
bonds (distance) P-C4' energy: -123.367
flat angles C4'-P-C4' energy: -137.681
flat angles P-C4'-P energy: -86.438
tors. eta vs tors. theta energy: -140.150
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: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2792.165647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.165647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.070325 (E_RNA)
where:
Base-Base interactions energy: -1945.842
where: short stacking energy: -804.406
Base-Backbone interact. energy: 2.492
local terms energy: -851.720843
where:
bonds (distance) C4'-P energy: -158.563
bonds (distance) P-C4' energy: -145.254
flat angles C4'-P-C4' energy: -191.180
flat angles P-C4'-P energy: -131.983
tors. eta vs tors. theta energy: -224.741
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2668.593225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.593225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.440667 (E_RNA)
where:
Base-Base interactions energy: -1833.142
where: short stacking energy: -780.749
Base-Backbone interact. energy: 1.125
local terms energy: -839.423859
where:
bonds (distance) C4'-P energy: -167.114
bonds (distance) P-C4' energy: -141.894
flat angles C4'-P-C4' energy: -173.861
flat angles P-C4'-P energy: -132.965
tors. eta vs tors. theta energy: -223.591
Dist. restrs. and SS energy: 2.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2666.658700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.658700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.665778 (E_RNA)
where:
Base-Base interactions energy: -1839.591
where: short stacking energy: -805.931
Base-Backbone interact. energy: -4.320
local terms energy: -824.754253
where:
bonds (distance) C4'-P energy: -158.138
bonds (distance) P-C4' energy: -149.577
flat angles C4'-P-C4' energy: -172.207
flat angles P-C4'-P energy: -103.608
tors. eta vs tors. theta energy: -241.225
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2444.771868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.771868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.102362 (E_RNA)
where:
Base-Base interactions energy: -1658.383
where: short stacking energy: -705.115
Base-Backbone interact. energy: 4.589
local terms energy: -793.309226
where:
bonds (distance) C4'-P energy: -137.873
bonds (distance) P-C4' energy: -151.999
flat angles C4'-P-C4' energy: -186.135
flat angles P-C4'-P energy: -115.592
tors. eta vs tors. theta energy: -201.710
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: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2307.831993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.831993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.315148 (E_RNA)
where:
Base-Base interactions energy: -1583.713
where: short stacking energy: -695.131
Base-Backbone interact. energy: -1.055
local terms energy: -725.546792
where:
bonds (distance) C4'-P energy: -138.593
bonds (distance) P-C4' energy: -136.189
flat angles C4'-P-C4' energy: -162.171
flat angles P-C4'-P energy: -99.992
tors. eta vs tors. theta energy: -188.602
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2177.731377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.731377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.848480 (E_RNA)
where:
Base-Base interactions energy: -1491.150
where: short stacking energy: -645.245
Base-Backbone interact. energy: -3.893
local terms energy: -684.806373
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -146.486
flat angles C4'-P-C4' energy: -138.727
flat angles P-C4'-P energy: -107.142
tors. eta vs tors. theta energy: -169.466
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: 104
Temperature: 1.200000
Total energy: -2101.275388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.275388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.534835 (E_RNA)
where:
Base-Base interactions energy: -1420.493
where: short stacking energy: -623.997
Base-Backbone interact. energy: 1.100
local terms energy: -684.142597
where:
bonds (distance) C4'-P energy: -132.057
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -151.515
flat angles P-C4'-P energy: -89.359
tors. eta vs tors. theta energy: -181.025
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: 104
Temperature: 1.250000
Total energy: -2034.550780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.550780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.789245 (E_RNA)
where:
Base-Base interactions energy: -1388.801
where: short stacking energy: -598.071
Base-Backbone interact. energy: -0.778
local terms energy: -647.210416
where:
bonds (distance) C4'-P energy: -132.158
bonds (distance) P-C4' energy: -140.932
flat angles C4'-P-C4' energy: -147.107
flat angles P-C4'-P energy: -77.693
tors. eta vs tors. theta energy: -149.320
Dist. restrs. and SS energy: 2.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1953.229279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.229279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.217883 (E_RNA)
where:
Base-Base interactions energy: -1307.533
where: short stacking energy: -536.916
Base-Backbone interact. energy: 2.158
local terms energy: -650.843352
where:
bonds (distance) C4'-P energy: -134.041
bonds (distance) P-C4' energy: -149.885
flat angles C4'-P-C4' energy: -132.080
flat angles P-C4'-P energy: -87.507
tors. eta vs tors. theta energy: -147.331
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: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1872.315918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.315918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.688402 (E_RNA)
where:
Base-Base interactions energy: -1276.579
where: short stacking energy: -531.547
Base-Backbone interact. energy: -2.226
local terms energy: -595.883597
where:
bonds (distance) C4'-P energy: -102.964
bonds (distance) P-C4' energy: -104.211
flat angles C4'-P-C4' energy: -151.866
flat angles P-C4'-P energy: -95.743
tors. eta vs tors. theta energy: -141.100
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: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2805.265661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.265661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.713576 (E_RNA)
where:
Base-Base interactions energy: -1944.900
where: short stacking energy: -795.640
Base-Backbone interact. energy: -2.714
local terms energy: -860.099636
where:
bonds (distance) C4'-P energy: -157.249
bonds (distance) P-C4' energy: -177.030
flat angles C4'-P-C4' energy: -176.156
flat angles P-C4'-P energy: -131.917
tors. eta vs tors. theta energy: -217.748
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2724.789660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.789660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.197545 (E_RNA)
where:
Base-Base interactions energy: -1906.787
where: short stacking energy: -828.428
Base-Backbone interact. energy: -1.858
local terms energy: -818.553065
where:
bonds (distance) C4'-P energy: -151.326
bonds (distance) P-C4' energy: -151.482
flat angles C4'-P-C4' energy: -169.762
flat angles P-C4'-P energy: -112.314
tors. eta vs tors. theta energy: -233.670
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2602.985008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.985008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.309996 (E_RNA)
where:
Base-Base interactions energy: -1773.476
where: short stacking energy: -781.387
Base-Backbone interact. energy: 3.534
local terms energy: -834.368113
where:
bonds (distance) C4'-P energy: -157.312
bonds (distance) P-C4' energy: -145.364
flat angles C4'-P-C4' energy: -192.061
flat angles P-C4'-P energy: -107.752
tors. eta vs tors. theta energy: -231.879
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2363.947448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.947448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.919626 (E_RNA)
where:
Base-Base interactions energy: -1610.747
where: short stacking energy: -705.663
Base-Backbone interact. energy: -0.787
local terms energy: -754.386087
where:
bonds (distance) C4'-P energy: -140.703
bonds (distance) P-C4' energy: -156.685
flat angles C4'-P-C4' energy: -170.217
flat angles P-C4'-P energy: -103.605
tors. eta vs tors. theta energy: -183.176
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: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2362.497556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.497556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.025087 (E_RNA)
where:
Base-Base interactions energy: -1627.676
where: short stacking energy: -699.290
Base-Backbone interact. energy: 2.468
local terms energy: -738.816831
where:
bonds (distance) C4'-P energy: -134.319
bonds (distance) P-C4' energy: -141.143
flat angles C4'-P-C4' energy: -159.396
flat angles P-C4'-P energy: -111.910
tors. eta vs tors. theta energy: -192.049
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: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2231.573093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.573093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.307185 (E_RNA)
where:
Base-Base interactions energy: -1491.888
where: short stacking energy: -646.654
Base-Backbone interact. energy: -4.715
local terms energy: -737.704266
where:
bonds (distance) C4'-P energy: -131.434
bonds (distance) P-C4' energy: -159.119
flat angles C4'-P-C4' energy: -157.613
flat angles P-C4'-P energy: -103.504
tors. eta vs tors. theta energy: -186.033
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: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2095.281371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.281371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.031095 (E_RNA)
where:
Base-Base interactions energy: -1386.691
where: short stacking energy: -597.580
Base-Backbone interact. energy: -2.943
local terms energy: -708.396836
where:
bonds (distance) C4'-P energy: -141.034
bonds (distance) P-C4' energy: -141.612
flat angles C4'-P-C4' energy: -157.923
flat angles P-C4'-P energy: -100.040
tors. eta vs tors. theta energy: -167.788
Dist. restrs. and SS energy: 2.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2063.086139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.635486 (E_RNA)
where:
Base-Base interactions energy: -1376.191
where: short stacking energy: -580.460
Base-Backbone interact. energy: 3.217
local terms energy: -693.661072
where:
bonds (distance) C4'-P energy: -117.569
bonds (distance) P-C4' energy: -156.398
flat angles C4'-P-C4' energy: -162.165
flat angles P-C4'-P energy: -102.468
tors. eta vs tors. theta energy: -155.061
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: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1959.293833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.293833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.855292 (E_RNA)
where:
Base-Base interactions energy: -1348.482
where: short stacking energy: -561.055
Base-Backbone interact. energy: -3.031
local terms energy: -612.342243
where:
bonds (distance) C4'-P energy: -132.840
bonds (distance) P-C4' energy: -134.550
flat angles C4'-P-C4' energy: -130.162
flat angles P-C4'-P energy: -69.080
tors. eta vs tors. theta energy: -145.710
Dist. restrs. and SS energy: 4.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1885.562659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.562659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.488188 (E_RNA)
where:
Base-Base interactions energy: -1261.502
where: short stacking energy: -537.388
Base-Backbone interact. energy: -3.094
local terms energy: -623.892478
where:
bonds (distance) C4'-P energy: -128.087
bonds (distance) P-C4' energy: -121.342
flat angles C4'-P-C4' energy: -152.915
flat angles P-C4'-P energy: -81.804
tors. eta vs tors. theta energy: -139.744
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: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2791.797293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.797293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.164533 (E_RNA)
where:
Base-Base interactions energy: -1928.702
where: short stacking energy: -803.631
Base-Backbone interact. energy: -2.894
local terms energy: -862.568197
where:
bonds (distance) C4'-P energy: -154.229
bonds (distance) P-C4' energy: -162.811
flat angles C4'-P-C4' energy: -181.063
flat angles P-C4'-P energy: -115.091
tors. eta vs tors. theta energy: -249.375
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: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2724.078237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.078237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.310779 (E_RNA)
where:
Base-Base interactions energy: -1875.047
where: short stacking energy: -780.832
Base-Backbone interact. energy: -6.701
local terms energy: -843.562613
where:
bonds (distance) C4'-P energy: -159.500
bonds (distance) P-C4' energy: -159.168
flat angles C4'-P-C4' energy: -185.172
flat angles P-C4'-P energy: -122.865
tors. eta vs tors. theta energy: -216.857
Dist. restrs. and SS energy: 1.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2594.126292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.126292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.978257 (E_RNA)
where:
Base-Base interactions energy: -1773.075
where: short stacking energy: -755.612
Base-Backbone interact. energy: -5.100
local terms energy: -817.802996
where:
bonds (distance) C4'-P energy: -148.287
bonds (distance) P-C4' energy: -167.801
flat angles C4'-P-C4' energy: -175.139
flat angles P-C4'-P energy: -112.034
tors. eta vs tors. theta energy: -214.543
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2445.800290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.800290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.188698 (E_RNA)
where:
Base-Base interactions energy: -1631.630
where: short stacking energy: -711.261
Base-Backbone interact. energy: -2.785
local terms energy: -812.774028
where:
bonds (distance) C4'-P energy: -149.561
bonds (distance) P-C4' energy: -166.028
flat angles C4'-P-C4' energy: -180.822
flat angles P-C4'-P energy: -113.963
tors. eta vs tors. theta energy: -202.400
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2367.612347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.612347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.569223 (E_RNA)
where:
Base-Base interactions energy: -1602.677
where: short stacking energy: -690.384
Base-Backbone interact. energy: 1.116
local terms energy: -768.008462
where:
bonds (distance) C4'-P energy: -156.040
bonds (distance) P-C4' energy: -141.732
flat angles C4'-P-C4' energy: -153.932
flat angles P-C4'-P energy: -110.978
tors. eta vs tors. theta energy: -205.327
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2172.474872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.474872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.207515 (E_RNA)
where:
Base-Base interactions energy: -1455.359
where: short stacking energy: -593.899
Base-Backbone interact. energy: -2.818
local terms energy: -716.030272
where:
bonds (distance) C4'-P energy: -145.116
bonds (distance) P-C4' energy: -153.819
flat angles C4'-P-C4' energy: -162.876
flat angles P-C4'-P energy: -91.477
tors. eta vs tors. theta energy: -162.743
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2132.547870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.547870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.896151 (E_RNA)
where:
Base-Base interactions energy: -1453.469
where: short stacking energy: -609.658
Base-Backbone interact. energy: 7.869
local terms energy: -689.295690
where:
bonds (distance) C4'-P energy: -120.306
bonds (distance) P-C4' energy: -153.294
flat angles C4'-P-C4' energy: -168.017
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -158.987
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: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2037.634393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.634393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.235135 (E_RNA)
where:
Base-Base interactions energy: -1369.836
where: short stacking energy: -598.135
Base-Backbone interact. energy: 0.168
local terms energy: -669.567688
where:
bonds (distance) C4'-P energy: -141.679
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -140.042
flat angles P-C4'-P energy: -98.863
tors. eta vs tors. theta energy: -151.739
Dist. restrs. and SS energy: 1.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1974.525161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.525161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.589111 (E_RNA)
where:
Base-Base interactions energy: -1350.282
where: short stacking energy: -578.191
Base-Backbone interact. energy: 2.082
local terms energy: -628.389532
where:
bonds (distance) C4'-P energy: -114.855
bonds (distance) P-C4' energy: -126.324
flat angles C4'-P-C4' energy: -143.824
flat angles P-C4'-P energy: -88.160
tors. eta vs tors. theta energy: -155.227
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: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1877.164689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.164689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.222984 (E_RNA)
where:
Base-Base interactions energy: -1238.397
where: short stacking energy: -501.244
Base-Backbone interact. energy: -0.863
local terms energy: -641.962491
where:
bonds (distance) C4'-P energy: -129.743
bonds (distance) P-C4' energy: -123.109
flat angles C4'-P-C4' energy: -147.054
flat angles P-C4'-P energy: -111.067
tors. eta vs tors. theta energy: -130.990
Dist. restrs. and SS energy: 4.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2819.848695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.848695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.987651 (E_RNA)
where:
Base-Base interactions energy: -1959.853
where: short stacking energy: -841.898
Base-Backbone interact. energy: 0.656
local terms energy: -861.790650
where:
bonds (distance) C4'-P energy: -159.706
bonds (distance) P-C4' energy: -151.582
flat angles C4'-P-C4' energy: -177.755
flat angles P-C4'-P energy: -123.638
tors. eta vs tors. theta energy: -249.110
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2721.800761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.800761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.627802 (E_RNA)
where:
Base-Base interactions energy: -1860.146
where: short stacking energy: -789.869
Base-Backbone interact. energy: -2.228
local terms energy: -861.253818
where:
bonds (distance) C4'-P energy: -149.131
bonds (distance) P-C4' energy: -158.450
flat angles C4'-P-C4' energy: -195.458
flat angles P-C4'-P energy: -129.944
tors. eta vs tors. theta energy: -228.271
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2553.207013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.429228 (E_RNA)
where:
Base-Base interactions energy: -1729.231
where: short stacking energy: -732.269
Base-Backbone interact. energy: -2.949
local terms energy: -822.248692
where:
bonds (distance) C4'-P energy: -162.557
bonds (distance) P-C4' energy: -160.368
flat angles C4'-P-C4' energy: -169.865
flat angles P-C4'-P energy: -118.441
tors. eta vs tors. theta energy: -211.018
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2428.068084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.068084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.403614 (E_RNA)
where:
Base-Base interactions energy: -1629.670
where: short stacking energy: -723.590
Base-Backbone interact. energy: 1.400
local terms energy: -802.133068
where:
bonds (distance) C4'-P energy: -154.046
bonds (distance) P-C4' energy: -156.702
flat angles C4'-P-C4' energy: -170.799
flat angles P-C4'-P energy: -118.226
tors. eta vs tors. theta energy: -202.360
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: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2333.751896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.751896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.083575 (E_RNA)
where:
Base-Base interactions energy: -1579.574
where: short stacking energy: -706.590
Base-Backbone interact. energy: 0.184
local terms energy: -756.694032
where:
bonds (distance) C4'-P energy: -133.846
bonds (distance) P-C4' energy: -170.482
flat angles C4'-P-C4' energy: -145.708
flat angles P-C4'-P energy: -105.681
tors. eta vs tors. theta energy: -200.977
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: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2167.903729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.903729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.753152 (E_RNA)
where:
Base-Base interactions energy: -1463.133
where: short stacking energy: -639.374
Base-Backbone interact. energy: -3.582
local terms energy: -704.038529
where:
bonds (distance) C4'-P energy: -140.772
bonds (distance) P-C4' energy: -157.520
flat angles C4'-P-C4' energy: -151.408
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -169.967
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: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -2125.382948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.382948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.970085 (E_RNA)
where:
Base-Base interactions energy: -1437.224
where: short stacking energy: -640.864
Base-Backbone interact. energy: -4.621
local terms energy: -685.125641
where:
bonds (distance) C4'-P energy: -122.769
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -162.010
flat angles P-C4'-P energy: -92.993
tors. eta vs tors. theta energy: -180.928
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: 8, replica: 3
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2022.943620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.943620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.827559 (E_RNA)
where:
Base-Base interactions energy: -1317.773
where: short stacking energy: -586.492
Base-Backbone interact. energy: -0.221
local terms energy: -710.833161
where:
bonds (distance) C4'-P energy: -149.229
bonds (distance) P-C4' energy: -142.828
flat angles C4'-P-C4' energy: -154.195
flat angles P-C4'-P energy: -97.056
tors. eta vs tors. theta energy: -167.524
Dist. restrs. and SS energy: 5.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1929.865804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.865804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.405616 (E_RNA)
where:
Base-Base interactions energy: -1308.870
where: short stacking energy: -536.137
Base-Backbone interact. energy: -4.878
local terms energy: -618.657120
where:
bonds (distance) C4'-P energy: -113.502
bonds (distance) P-C4' energy: -126.459
flat angles C4'-P-C4' energy: -135.908
flat angles P-C4'-P energy: -101.695
tors. eta vs tors. theta energy: -141.093
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: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1866.595102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.595102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.887441 (E_RNA)
where:
Base-Base interactions energy: -1312.972
where: short stacking energy: -555.437
Base-Backbone interact. energy: 6.133
local terms energy: -565.048786
where:
bonds (distance) C4'-P energy: -99.272
bonds (distance) P-C4' energy: -127.197
flat angles C4'-P-C4' energy: -145.640
flat angles P-C4'-P energy: -51.067
tors. eta vs tors. theta energy: -141.873
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: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2868.616358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.616358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.433029 (E_RNA)
where:
Base-Base interactions energy: -1958.189
where: short stacking energy: -847.256
Base-Backbone interact. energy: -1.259
local terms energy: -909.985124
where:
bonds (distance) C4'-P energy: -159.757
bonds (distance) P-C4' energy: -169.086
flat angles C4'-P-C4' energy: -193.499
flat angles P-C4'-P energy: -140.298
tors. eta vs tors. theta energy: -247.345
Dist. restrs. and SS energy: 0.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2670.609555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.609555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.194988 (E_RNA)
where:
Base-Base interactions energy: -1831.638
where: short stacking energy: -791.457
Base-Backbone interact. energy: 2.229
local terms energy: -842.786109
where:
bonds (distance) C4'-P energy: -156.923
bonds (distance) P-C4' energy: -172.613
flat angles C4'-P-C4' energy: -170.580
flat angles P-C4'-P energy: -123.863
tors. eta vs tors. theta energy: -218.807
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: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2616.993694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.858634 (E_RNA)
where:
Base-Base interactions energy: -1789.340
where: short stacking energy: -768.431
Base-Backbone interact. energy: -3.845
local terms energy: -825.673843
where:
bonds (distance) C4'-P energy: -162.971
bonds (distance) P-C4' energy: -137.559
flat angles C4'-P-C4' energy: -175.548
flat angles P-C4'-P energy: -120.651
tors. eta vs tors. theta energy: -228.944
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: 4, replica: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2437.860651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.860651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.192020 (E_RNA)
where:
Base-Base interactions energy: -1641.439
where: short stacking energy: -697.004
Base-Backbone interact. energy: -0.850
local terms energy: -797.902914
where:
bonds (distance) C4'-P energy: -171.785
bonds (distance) P-C4' energy: -150.959
flat angles C4'-P-C4' energy: -182.718
flat angles P-C4'-P energy: -98.597
tors. eta vs tors. theta energy: -193.844
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: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2372.797971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.797971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.240363 (E_RNA)
where:
Base-Base interactions energy: -1600.278
where: short stacking energy: -703.349
Base-Backbone interact. energy: -0.588
local terms energy: -773.373826
where:
bonds (distance) C4'-P energy: -151.061
bonds (distance) P-C4' energy: -137.098
flat angles C4'-P-C4' energy: -163.200
flat angles P-C4'-P energy: -117.587
tors. eta vs tors. theta energy: -204.427
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: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2199.548767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.548767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.299889 (E_RNA)
where:
Base-Base interactions energy: -1462.326
where: short stacking energy: -637.558
Base-Backbone interact. energy: 4.632
local terms energy: -743.605906
where:
bonds (distance) C4'-P energy: -147.469
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -177.851
flat angles P-C4'-P energy: -114.650
tors. eta vs tors. theta energy: -173.112
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: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2064.782511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.782511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.838883 (E_RNA)
where:
Base-Base interactions energy: -1384.859
where: short stacking energy: -609.884
Base-Backbone interact. energy: 0.615
local terms energy: -685.595119
where:
bonds (distance) C4'-P energy: -117.293
bonds (distance) P-C4' energy: -167.059
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -97.584
tors. eta vs tors. theta energy: -177.770
Dist. restrs. and SS energy: 5.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2004.027187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.027187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.091726 (E_RNA)
where:
Base-Base interactions energy: -1345.349
where: short stacking energy: -566.707
Base-Backbone interact. energy: 4.153
local terms energy: -664.896089
where:
bonds (distance) C4'-P energy: -125.329
bonds (distance) P-C4' energy: -147.631
flat angles C4'-P-C4' energy: -148.588
flat angles P-C4'-P energy: -78.508
tors. eta vs tors. theta energy: -164.841
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: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1987.463538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.463538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.741335 (E_RNA)
where:
Base-Base interactions energy: -1325.011
where: short stacking energy: -553.890
Base-Backbone interact. energy: -1.558
local terms energy: -665.172068
where:
bonds (distance) C4'-P energy: -131.327
bonds (distance) P-C4' energy: -146.469
flat angles C4'-P-C4' energy: -157.503
flat angles P-C4'-P energy: -78.273
tors. eta vs tors. theta energy: -151.601
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1874.674150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.674150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.930036 (E_RNA)
where:
Base-Base interactions energy: -1263.044
where: short stacking energy: -506.248
Base-Backbone interact. energy: -0.586
local terms energy: -613.300706
where:
bonds (distance) C4'-P energy: -135.141
bonds (distance) P-C4' energy: -130.564
flat angles C4'-P-C4' energy: -136.812
flat angles P-C4'-P energy: -74.662
tors. eta vs tors. theta energy: -136.122
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: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2871.538270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.538270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.132941 (E_RNA)
where:
Base-Base interactions energy: -1941.682
where: short stacking energy: -827.587
Base-Backbone interact. energy: -1.211
local terms energy: -930.239710
where:
bonds (distance) C4'-P energy: -173.940
bonds (distance) P-C4' energy: -174.464
flat angles C4'-P-C4' energy: -188.527
flat angles P-C4'-P energy: -131.621
tors. eta vs tors. theta energy: -261.687
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: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2683.358562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.358562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.189006 (E_RNA)
where:
Base-Base interactions energy: -1867.918
where: short stacking energy: -786.864
Base-Backbone interact. energy: -1.592
local terms energy: -816.678744
where:
bonds (distance) C4'-P energy: -155.374
bonds (distance) P-C4' energy: -152.058
flat angles C4'-P-C4' energy: -178.432
flat angles P-C4'-P energy: -123.343
tors. eta vs tors. theta energy: -207.471
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2599.885459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.885459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.981749 (E_RNA)
where:
Base-Base interactions energy: -1770.052
where: short stacking energy: -773.059
Base-Backbone interact. energy: -2.661
local terms energy: -828.268938
where:
bonds (distance) C4'-P energy: -154.118
bonds (distance) P-C4' energy: -158.301
flat angles C4'-P-C4' energy: -180.259
flat angles P-C4'-P energy: -115.118
tors. eta vs tors. theta energy: -220.473
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2427.028224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.028224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.848984 (E_RNA)
where:
Base-Base interactions energy: -1646.678
where: short stacking energy: -738.200
Base-Backbone interact. energy: -2.127
local terms energy: -780.043157
where:
bonds (distance) C4'-P energy: -142.385
bonds (distance) P-C4' energy: -138.229
flat angles C4'-P-C4' energy: -178.404
flat angles P-C4'-P energy: -118.115
tors. eta vs tors. theta energy: -202.910
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: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2361.663322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.663322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.233341 (E_RNA)
where:
Base-Base interactions energy: -1633.367
where: short stacking energy: -709.215
Base-Backbone interact. energy: -4.826
local terms energy: -727.040751
where:
bonds (distance) C4'-P energy: -147.871
bonds (distance) P-C4' energy: -122.823
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -102.521
tors. eta vs tors. theta energy: -194.899
Dist. restrs. and SS energy: 3.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2195.659289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.659289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.057018 (E_RNA)
where:
Base-Base interactions energy: -1488.659
where: short stacking energy: -645.536
Base-Backbone interact. energy: -1.358
local terms energy: -707.039524
where:
bonds (distance) C4'-P energy: -121.917
bonds (distance) P-C4' energy: -142.414
flat angles C4'-P-C4' energy: -148.897
flat angles P-C4'-P energy: -113.078
tors. eta vs tors. theta energy: -180.733
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: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2126.793856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.793856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.408362 (E_RNA)
where:
Base-Base interactions energy: -1418.455
where: short stacking energy: -630.809
Base-Backbone interact. energy: 0.600
local terms energy: -711.554081
where:
bonds (distance) C4'-P energy: -136.641
bonds (distance) P-C4' energy: -149.427
flat angles C4'-P-C4' energy: -146.937
flat angles P-C4'-P energy: -110.819
tors. eta vs tors. theta energy: -167.730
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: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2029.591047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.591047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.908193 (E_RNA)
where:
Base-Base interactions energy: -1391.947
where: short stacking energy: -577.478
Base-Backbone interact. energy: 1.731
local terms energy: -641.692168
where:
bonds (distance) C4'-P energy: -122.787
bonds (distance) P-C4' energy: -132.713
flat angles C4'-P-C4' energy: -148.857
flat angles P-C4'-P energy: -78.180
tors. eta vs tors. theta energy: -159.155
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: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1958.961766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.961766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.863546 (E_RNA)
where:
Base-Base interactions energy: -1345.926
where: short stacking energy: -548.374
Base-Backbone interact. energy: 2.058
local terms energy: -618.995836
where:
bonds (distance) C4'-P energy: -128.976
bonds (distance) P-C4' energy: -128.236
flat angles C4'-P-C4' energy: -145.975
flat angles P-C4'-P energy: -66.044
tors. eta vs tors. theta energy: -149.765
Dist. restrs. and SS energy: 3.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1904.729743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.729743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.075740 (E_RNA)
where:
Base-Base interactions energy: -1322.883
where: short stacking energy: -547.443
Base-Backbone interact. energy: 5.515
local terms energy: -590.708634
where:
bonds (distance) C4'-P energy: -105.468
bonds (distance) P-C4' energy: -125.731
flat angles C4'-P-C4' energy: -144.285
flat angles P-C4'-P energy: -85.807
tors. eta vs tors. theta energy: -129.418
Dist. restrs. and SS energy: 3.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2887.838128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.838128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.543603 (E_RNA)
where:
Base-Base interactions energy: -1983.556
where: short stacking energy: -831.962
Base-Backbone interact. energy: -0.987
local terms energy: -905.000022
where:
bonds (distance) C4'-P energy: -150.219
bonds (distance) P-C4' energy: -180.562
flat angles C4'-P-C4' energy: -188.067
flat angles P-C4'-P energy: -137.618
tors. eta vs tors. theta energy: -248.534
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: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2711.154214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.154214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.658437 (E_RNA)
where:
Base-Base interactions energy: -1870.466
where: short stacking energy: -751.970
Base-Backbone interact. energy: -0.925
local terms energy: -842.267684
where:
bonds (distance) C4'-P energy: -167.678
bonds (distance) P-C4' energy: -160.055
flat angles C4'-P-C4' energy: -181.907
flat angles P-C4'-P energy: -129.407
tors. eta vs tors. theta energy: -203.220
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: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2616.161095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.161095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.794051 (E_RNA)
where:
Base-Base interactions energy: -1777.154
where: short stacking energy: -777.107
Base-Backbone interact. energy: -1.333
local terms energy: -840.307173
where:
bonds (distance) C4'-P energy: -165.483
bonds (distance) P-C4' energy: -154.283
flat angles C4'-P-C4' energy: -189.317
flat angles P-C4'-P energy: -113.605
tors. eta vs tors. theta energy: -217.619
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: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2450.060864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.060864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.678358 (E_RNA)
where:
Base-Base interactions energy: -1679.563
where: short stacking energy: -734.212
Base-Backbone interact. energy: -2.278
local terms energy: -769.838026
where:
bonds (distance) C4'-P energy: -135.922
bonds (distance) P-C4' energy: -132.078
flat angles C4'-P-C4' energy: -166.579
flat angles P-C4'-P energy: -118.536
tors. eta vs tors. theta energy: -216.723
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: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2304.771564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.771564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.980394 (E_RNA)
where:
Base-Base interactions energy: -1533.752
where: short stacking energy: -684.068
Base-Backbone interact. energy: 3.572
local terms energy: -777.800502
where:
bonds (distance) C4'-P energy: -151.614
bonds (distance) P-C4' energy: -151.231
flat angles C4'-P-C4' energy: -172.499
flat angles P-C4'-P energy: -106.129
tors. eta vs tors. theta energy: -196.327
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2221.657127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.657127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.931445 (E_RNA)
where:
Base-Base interactions energy: -1503.193
where: short stacking energy: -651.457
Base-Backbone interact. energy: 3.864
local terms energy: -724.602201
where:
bonds (distance) C4'-P energy: -135.068
bonds (distance) P-C4' energy: -137.873
flat angles C4'-P-C4' energy: -169.131
flat angles P-C4'-P energy: -94.417
tors. eta vs tors. theta energy: -188.112
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: 110
Temperature: 1.200000
Total energy: -2116.091665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.091665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.769819 (E_RNA)
where:
Base-Base interactions energy: -1432.722
where: short stacking energy: -631.885
Base-Backbone interact. energy: -4.269
local terms energy: -680.778687
where:
bonds (distance) C4'-P energy: -129.287
bonds (distance) P-C4' energy: -142.409
flat angles C4'-P-C4' energy: -140.904
flat angles P-C4'-P energy: -93.849
tors. eta vs tors. theta energy: -174.328
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2057.407371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.407371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.009531 (E_RNA)
where:
Base-Base interactions energy: -1398.186
where: short stacking energy: -607.129
Base-Backbone interact. energy: -1.997
local terms energy: -659.826570
where:
bonds (distance) C4'-P energy: -117.990
bonds (distance) P-C4' energy: -146.884
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -92.894
tors. eta vs tors. theta energy: -163.298
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: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1934.967899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.967899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.558910 (E_RNA)
where:
Base-Base interactions energy: -1320.825
where: short stacking energy: -575.333
Base-Backbone interact. energy: -0.512
local terms energy: -617.222675
where:
bonds (distance) C4'-P energy: -139.414
bonds (distance) P-C4' energy: -116.882
flat angles C4'-P-C4' energy: -159.172
flat angles P-C4'-P energy: -67.914
tors. eta vs tors. theta energy: -133.840
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: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1874.331999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.331999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.086411 (E_RNA)
where:
Base-Base interactions energy: -1256.284
where: short stacking energy: -532.496
Base-Backbone interact. energy: -0.314
local terms energy: -621.488776
where:
bonds (distance) C4'-P energy: -116.273
bonds (distance) P-C4' energy: -139.406
flat angles C4'-P-C4' energy: -136.527
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -133.068
Dist. restrs. and SS energy: 3.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2891.844536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.844536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.358217 (E_RNA)
where:
Base-Base interactions energy: -1983.458
where: short stacking energy: -848.816
Base-Backbone interact. energy: -3.221
local terms energy: -906.679477
where:
bonds (distance) C4'-P energy: -149.515
bonds (distance) P-C4' energy: -181.209
flat angles C4'-P-C4' energy: -195.036
flat angles P-C4'-P energy: -127.101
tors. eta vs tors. theta energy: -253.818
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: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2700.810134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.810134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.529394 (E_RNA)
where:
Base-Base interactions energy: -1885.213
where: short stacking energy: -804.369
Base-Backbone interact. energy: -3.703
local terms energy: -814.613564
where:
bonds (distance) C4'-P energy: -154.006
bonds (distance) P-C4' energy: -142.520
flat angles C4'-P-C4' energy: -187.662
flat angles P-C4'-P energy: -108.662
tors. eta vs tors. theta energy: -221.764
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2614.191058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.191058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.744887 (E_RNA)
where:
Base-Base interactions energy: -1769.970
where: short stacking energy: -774.617
Base-Backbone interact. energy: -0.954
local terms energy: -844.820384
where:
bonds (distance) C4'-P energy: -160.090
bonds (distance) P-C4' energy: -167.637
flat angles C4'-P-C4' energy: -181.733
flat angles P-C4'-P energy: -116.012
tors. eta vs tors. theta energy: -219.348
Dist. restrs. and SS energy: 1.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2462.843445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.843445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.525454 (E_RNA)
where:
Base-Base interactions energy: -1679.036
where: short stacking energy: -723.579
Base-Backbone interact. energy: -1.678
local terms energy: -783.812289
where:
bonds (distance) C4'-P energy: -158.121
bonds (distance) P-C4' energy: -156.705
flat angles C4'-P-C4' energy: -159.023
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -204.206
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2326.029277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.029277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.229827 (E_RNA)
where:
Base-Base interactions energy: -1586.872
where: short stacking energy: -694.718
Base-Backbone interact. energy: -1.215
local terms energy: -741.142564
where:
bonds (distance) C4'-P energy: -139.330
bonds (distance) P-C4' energy: -144.334
flat angles C4'-P-C4' energy: -164.883
flat angles P-C4'-P energy: -107.016
tors. eta vs tors. theta energy: -185.580
Dist. restrs. and SS energy: 3.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -2227.751037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.751037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.136232 (E_RNA)
where:
Base-Base interactions energy: -1494.535
where: short stacking energy: -636.634
Base-Backbone interact. energy: -2.549
local terms energy: -733.051874
where:
bonds (distance) C4'-P energy: -131.743
bonds (distance) P-C4' energy: -155.892
flat angles C4'-P-C4' energy: -166.568
flat angles P-C4'-P energy: -104.078
tors. eta vs tors. theta energy: -174.771
Dist. restrs. and SS energy: 2.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2112.194308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.194308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.445455 (E_RNA)
where:
Base-Base interactions energy: -1409.721
where: short stacking energy: -633.840
Base-Backbone interact. energy: 0.599
local terms energy: -704.323326
where:
bonds (distance) C4'-P energy: -135.948
bonds (distance) P-C4' energy: -143.876
flat angles C4'-P-C4' energy: -152.937
flat angles P-C4'-P energy: -95.980
tors. eta vs tors. theta energy: -175.584
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: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2063.073464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.073464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.698680 (E_RNA)
where:
Base-Base interactions energy: -1398.958
where: short stacking energy: -581.540
Base-Backbone interact. energy: 0.662
local terms energy: -666.402286
where:
bonds (distance) C4'-P energy: -125.352
bonds (distance) P-C4' energy: -128.635
flat angles C4'-P-C4' energy: -159.238
flat angles P-C4'-P energy: -103.743
tors. eta vs tors. theta energy: -149.433
Dist. restrs. and SS energy: 1.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1981.674304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.674304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.687234 (E_RNA)
where:
Base-Base interactions energy: -1344.666
where: short stacking energy: -558.753
Base-Backbone interact. energy: -1.559
local terms energy: -638.462453
where:
bonds (distance) C4'-P energy: -149.301
bonds (distance) P-C4' energy: -110.024
flat angles C4'-P-C4' energy: -148.444
flat angles P-C4'-P energy: -78.298
tors. eta vs tors. theta energy: -152.395
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1847.466268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.466268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.691367 (E_RNA)
where:
Base-Base interactions energy: -1281.728
where: short stacking energy: -530.245
Base-Backbone interact. energy: -5.568
local terms energy: -562.395024
where:
bonds (distance) C4'-P energy: -106.212
bonds (distance) P-C4' energy: -117.810
flat angles C4'-P-C4' energy: -133.132
flat angles P-C4'-P energy: -78.069
tors. eta vs tors. theta energy: -127.172
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2897.449116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.449116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.451570 (E_RNA)
where:
Base-Base interactions energy: -2013.268
where: short stacking energy: -855.632
Base-Backbone interact. energy: 0.664
local terms energy: -885.847535
where:
bonds (distance) C4'-P energy: -157.832
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -186.697
flat angles P-C4'-P energy: -127.848
tors. eta vs tors. theta energy: -259.104
Dist. restrs. and SS energy: 1.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2692.442823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.442823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.912610 (E_RNA)
where:
Base-Base interactions energy: -1860.911
where: short stacking energy: -770.903
Base-Backbone interact. energy: 2.920
local terms energy: -835.921538
where:
bonds (distance) C4'-P energy: -160.485
bonds (distance) P-C4' energy: -164.382
flat angles C4'-P-C4' energy: -182.399
flat angles P-C4'-P energy: -114.992
tors. eta vs tors. theta energy: -213.663
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: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2598.311334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.311334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.619347 (E_RNA)
where:
Base-Base interactions energy: -1767.151
where: short stacking energy: -764.889
Base-Backbone interact. energy: -2.965
local terms energy: -830.503178
where:
bonds (distance) C4'-P energy: -159.198
bonds (distance) P-C4' energy: -147.011
flat angles C4'-P-C4' energy: -182.992
flat angles P-C4'-P energy: -127.229
tors. eta vs tors. theta energy: -214.073
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: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2448.419766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.326567 (E_RNA)
where:
Base-Base interactions energy: -1672.902
where: short stacking energy: -724.728
Base-Backbone interact. energy: -0.596
local terms energy: -775.828431
where:
bonds (distance) C4'-P energy: -133.720
bonds (distance) P-C4' energy: -151.543
flat angles C4'-P-C4' energy: -181.679
flat angles P-C4'-P energy: -110.976
tors. eta vs tors. theta energy: -197.910
Dist. restrs. and SS energy: 0.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2336.611203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.611203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.503699 (E_RNA)
where:
Base-Base interactions energy: -1576.395
where: short stacking energy: -699.302
Base-Backbone interact. energy: 1.731
local terms energy: -766.840163
where:
bonds (distance) C4'-P energy: -129.321
bonds (distance) P-C4' energy: -170.819
flat angles C4'-P-C4' energy: -168.880
flat angles P-C4'-P energy: -106.392
tors. eta vs tors. theta energy: -191.427
Dist. restrs. and SS energy: 4.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2197.647764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.647764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.313410 (E_RNA)
where:
Base-Base interactions energy: -1478.967
where: short stacking energy: -648.284
Base-Backbone interact. energy: -2.075
local terms energy: -719.272095
where:
bonds (distance) C4'-P energy: -138.913
bonds (distance) P-C4' energy: -140.511
flat angles C4'-P-C4' energy: -158.961
flat angles P-C4'-P energy: -91.528
tors. eta vs tors. theta energy: -189.359
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: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -2089.301464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.301464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.754448 (E_RNA)
where:
Base-Base interactions energy: -1411.706
where: short stacking energy: -607.275
Base-Backbone interact. energy: -3.026
local terms energy: -677.022677
where:
bonds (distance) C4'-P energy: -134.044
bonds (distance) P-C4' energy: -144.083
flat angles C4'-P-C4' energy: -161.913
flat angles P-C4'-P energy: -81.146
tors. eta vs tors. theta energy: -155.836
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: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2005.552839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.552839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.083957 (E_RNA)
where:
Base-Base interactions energy: -1342.711
where: short stacking energy: -564.612
Base-Backbone interact. energy: -2.369
local terms energy: -665.004416
where:
bonds (distance) C4'-P energy: -128.547
bonds (distance) P-C4' energy: -140.371
flat angles C4'-P-C4' energy: -156.657
flat angles P-C4'-P energy: -109.946
tors. eta vs tors. theta energy: -129.484
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: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1984.859666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.859666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.152315 (E_RNA)
where:
Base-Base interactions energy: -1359.807
where: short stacking energy: -575.999
Base-Backbone interact. energy: 5.338
local terms energy: -633.683740
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -149.551
flat angles C4'-P-C4' energy: -124.304
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -149.623
Dist. restrs. and SS energy: 3.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1870.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.433829 (E_RNA)
where:
Base-Base interactions energy: -1272.786
where: short stacking energy: -540.365
Base-Backbone interact. energy: 1.314
local terms energy: -600.962090
where:
bonds (distance) C4'-P energy: -113.831
bonds (distance) P-C4' energy: -130.621
flat angles C4'-P-C4' energy: -134.000
flat angles P-C4'-P energy: -82.800
tors. eta vs tors. theta energy: -139.710
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: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2856.829682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.829682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.597792 (E_RNA)
where:
Base-Base interactions energy: -1979.746
where: short stacking energy: -818.170
Base-Backbone interact. energy: -0.201
local terms energy: -877.651118
where:
bonds (distance) C4'-P energy: -145.804
bonds (distance) P-C4' energy: -170.153
flat angles C4'-P-C4' energy: -191.262
flat angles P-C4'-P energy: -127.383
tors. eta vs tors. theta energy: -243.049
Dist. restrs. and SS energy: 0.768 (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: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2699.117165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.117165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.432526 (E_RNA)
where:
Base-Base interactions energy: -1857.329
where: short stacking energy: -774.117
Base-Backbone interact. energy: -4.689
local terms energy: -838.414600
where:
bonds (distance) C4'-P energy: -154.312
bonds (distance) P-C4' energy: -163.536
flat angles C4'-P-C4' energy: -171.688
flat angles P-C4'-P energy: -124.231
tors. eta vs tors. theta energy: -224.647
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: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2565.712136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.712136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.691037 (E_RNA)
where:
Base-Base interactions energy: -1774.430
where: short stacking energy: -752.774
Base-Backbone interact. energy: -0.767
local terms energy: -792.493889
where:
bonds (distance) C4'-P energy: -123.084
bonds (distance) P-C4' energy: -150.152
flat angles C4'-P-C4' energy: -183.405
flat angles P-C4'-P energy: -117.777
tors. eta vs tors. theta energy: -218.076
Dist. restrs. and SS energy: 1.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2487.406347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.406347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.680633 (E_RNA)
where:
Base-Base interactions energy: -1679.363
where: short stacking energy: -738.374
Base-Backbone interact. energy: 0.228
local terms energy: -809.545691
where:
bonds (distance) C4'-P energy: -147.900
bonds (distance) P-C4' energy: -176.195
flat angles C4'-P-C4' energy: -176.957
flat angles P-C4'-P energy: -103.834
tors. eta vs tors. theta energy: -204.660
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2343.358929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.358929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.405902 (E_RNA)
where:
Base-Base interactions energy: -1571.838
where: short stacking energy: -700.831
Base-Backbone interact. energy: -0.696
local terms energy: -772.871595
where:
bonds (distance) C4'-P energy: -149.547
bonds (distance) P-C4' energy: -153.291
flat angles C4'-P-C4' energy: -169.563
flat angles P-C4'-P energy: -109.391
tors. eta vs tors. theta energy: -191.080
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2249.107000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.107000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.051524 (E_RNA)
where:
Base-Base interactions energy: -1542.825
where: short stacking energy: -634.492
Base-Backbone interact. energy: -2.174
local terms energy: -706.052710
where:
bonds (distance) C4'-P energy: -132.465
bonds (distance) P-C4' energy: -137.050
flat angles C4'-P-C4' energy: -166.687
flat angles P-C4'-P energy: -93.754
tors. eta vs tors. theta energy: -176.095
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: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2085.898958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.898958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.780888 (E_RNA)
where:
Base-Base interactions energy: -1402.930
where: short stacking energy: -594.949
Base-Backbone interact. energy: 1.511
local terms energy: -687.362076
where:
bonds (distance) C4'-P energy: -134.314
bonds (distance) P-C4' energy: -141.393
flat angles C4'-P-C4' energy: -147.228
flat angles P-C4'-P energy: -115.547
tors. eta vs tors. theta energy: -148.880
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: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2043.043187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.043187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.691251 (E_RNA)
where:
Base-Base interactions energy: -1390.539
where: short stacking energy: -617.162
Base-Backbone interact. energy: -3.344
local terms energy: -653.808330
where:
bonds (distance) C4'-P energy: -138.497
bonds (distance) P-C4' energy: -149.090
flat angles C4'-P-C4' energy: -154.590
flat angles P-C4'-P energy: -58.198
tors. eta vs tors. theta energy: -153.434
Dist. restrs. and SS energy: 4.648 (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: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1947.299465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.299465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.310598 (E_RNA)
where:
Base-Base interactions energy: -1338.010
where: short stacking energy: -558.536
Base-Backbone interact. energy: 2.234
local terms energy: -614.535120
where:
bonds (distance) C4'-P energy: -123.534
bonds (distance) P-C4' energy: -104.144
flat angles C4'-P-C4' energy: -137.111
flat angles P-C4'-P energy: -96.957
tors. eta vs tors. theta energy: -152.790
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1827.681063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.681063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.777820 (E_RNA)
where:
Base-Base interactions energy: -1249.903
where: short stacking energy: -519.836
Base-Backbone interact. energy: -3.733
local terms energy: -581.141454
where:
bonds (distance) C4'-P energy: -118.534
bonds (distance) P-C4' energy: -126.620
flat angles C4'-P-C4' energy: -122.939
flat angles P-C4'-P energy: -89.240
tors. eta vs tors. theta energy: -123.809
Dist. restrs. and SS energy: 7.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2856.710152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.710152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.150881 (E_RNA)
where:
Base-Base interactions energy: -1994.929
where: short stacking energy: -837.156
Base-Backbone interact. energy: 0.225
local terms energy: -863.446784
where:
bonds (distance) C4'-P energy: -165.362
bonds (distance) P-C4' energy: -147.820
flat angles C4'-P-C4' energy: -191.621
flat angles P-C4'-P energy: -112.140
tors. eta vs tors. theta energy: -246.505
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2723.203923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.203923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.965562 (E_RNA)
where:
Base-Base interactions energy: -1886.123
where: short stacking energy: -820.562
Base-Backbone interact. energy: -2.749
local terms energy: -836.093767
where:
bonds (distance) C4'-P energy: -158.742
bonds (distance) P-C4' energy: -152.698
flat angles C4'-P-C4' energy: -187.522
flat angles P-C4'-P energy: -115.251
tors. eta vs tors. theta energy: -221.881
Dist. restrs. and SS energy: 1.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2568.118155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.118155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.499443 (E_RNA)
where:
Base-Base interactions energy: -1789.354
where: short stacking energy: -762.959
Base-Backbone interact. energy: 4.328
local terms energy: -784.473613
where:
bonds (distance) C4'-P energy: -143.230
bonds (distance) P-C4' energy: -144.015
flat angles C4'-P-C4' energy: -173.337
flat angles P-C4'-P energy: -109.006
tors. eta vs tors. theta energy: -214.886
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: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2415.738747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.738747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.546434 (E_RNA)
where:
Base-Base interactions energy: -1643.906
where: short stacking energy: -705.127
Base-Backbone interact. energy: -2.767
local terms energy: -770.872679
where:
bonds (distance) C4'-P energy: -131.670
bonds (distance) P-C4' energy: -154.704
flat angles C4'-P-C4' energy: -175.679
flat angles P-C4'-P energy: -99.716
tors. eta vs tors. theta energy: -209.104
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: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2338.470376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.470376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.955017 (E_RNA)
where:
Base-Base interactions energy: -1595.659
where: short stacking energy: -675.283
Base-Backbone interact. energy: -4.778
local terms energy: -740.518411
where:
bonds (distance) C4'-P energy: -131.244
bonds (distance) P-C4' energy: -159.588
flat angles C4'-P-C4' energy: -169.101
flat angles P-C4'-P energy: -95.798
tors. eta vs tors. theta energy: -184.787
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: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2170.376823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.376823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.322834 (E_RNA)
where:
Base-Base interactions energy: -1468.693
where: short stacking energy: -630.112
Base-Backbone interact. energy: -1.439
local terms energy: -702.190921
where:
bonds (distance) C4'-P energy: -126.812
bonds (distance) P-C4' energy: -153.740
flat angles C4'-P-C4' energy: -159.373
flat angles P-C4'-P energy: -96.850
tors. eta vs tors. theta energy: -165.415
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: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2136.106052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.106052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.483762 (E_RNA)
where:
Base-Base interactions energy: -1445.529
where: short stacking energy: -635.540
Base-Backbone interact. energy: 1.393
local terms energy: -693.347805
where:
bonds (distance) C4'-P energy: -121.388
bonds (distance) P-C4' energy: -145.432
flat angles C4'-P-C4' energy: -163.320
flat angles P-C4'-P energy: -96.676
tors. eta vs tors. theta energy: -166.531
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: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1990.983399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.983399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.273234 (E_RNA)
where:
Base-Base interactions energy: -1373.031
where: short stacking energy: -567.853
Base-Backbone interact. energy: 2.713
local terms energy: -622.956155
where:
bonds (distance) C4'-P energy: -119.007
bonds (distance) P-C4' energy: -127.640
flat angles C4'-P-C4' energy: -135.373
flat angles P-C4'-P energy: -98.565
tors. eta vs tors. theta energy: -142.371
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: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1921.447167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.447167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.351420 (E_RNA)
where:
Base-Base interactions energy: -1302.616
where: short stacking energy: -526.103
Base-Backbone interact. energy: -2.145
local terms energy: -625.590846
where:
bonds (distance) C4'-P energy: -111.918
bonds (distance) P-C4' energy: -151.711
flat angles C4'-P-C4' energy: -150.750
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -140.384
Dist. restrs. and SS energy: 8.904 (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: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1838.294674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.294674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.713459 (E_RNA)
where:
Base-Base interactions energy: -1274.202
where: short stacking energy: -534.393
Base-Backbone interact. energy: -3.628
local terms energy: -562.883570
where:
bonds (distance) C4'-P energy: -117.509
bonds (distance) P-C4' energy: -112.331
flat angles C4'-P-C4' energy: -137.523
flat angles P-C4'-P energy: -83.050
tors. eta vs tors. theta energy: -112.471
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2878.432380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.432380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.589284 (E_RNA)
where:
Base-Base interactions energy: -1982.167
where: short stacking energy: -833.096
Base-Backbone interact. energy: 0.780
local terms energy: -898.202115
where:
bonds (distance) C4'-P energy: -164.292
bonds (distance) P-C4' energy: -167.843
flat angles C4'-P-C4' energy: -181.704
flat angles P-C4'-P energy: -123.596
tors. eta vs tors. theta energy: -260.767
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2713.963554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.963554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.871100 (E_RNA)
where:
Base-Base interactions energy: -1902.517
where: short stacking energy: -802.865
Base-Backbone interact. energy: 5.494
local terms energy: -818.847707
where:
bonds (distance) C4'-P energy: -142.505
bonds (distance) P-C4' energy: -149.802
flat angles C4'-P-C4' energy: -180.598
flat angles P-C4'-P energy: -121.691
tors. eta vs tors. theta energy: -224.251
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: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2599.796054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.796054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.948686 (E_RNA)
where:
Base-Base interactions energy: -1810.559
where: short stacking energy: -759.282
Base-Backbone interact. energy: 4.954
local terms energy: -796.344058
where:
bonds (distance) C4'-P energy: -150.289
bonds (distance) P-C4' energy: -153.877
flat angles C4'-P-C4' energy: -168.942
flat angles P-C4'-P energy: -104.236
tors. eta vs tors. theta energy: -219.000
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2392.823649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.823649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.809516 (E_RNA)
where:
Base-Base interactions energy: -1634.024
where: short stacking energy: -668.268
Base-Backbone interact. energy: -5.064
local terms energy: -755.721046
where:
bonds (distance) C4'-P energy: -130.707
bonds (distance) P-C4' energy: -155.442
flat angles C4'-P-C4' energy: -160.707
flat angles P-C4'-P energy: -117.543
tors. eta vs tors. theta energy: -191.322
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2324.983369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.983369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.092391 (E_RNA)
where:
Base-Base interactions energy: -1576.066
where: short stacking energy: -666.454
Base-Backbone interact. energy: -2.799
local terms energy: -747.227434
where:
bonds (distance) C4'-P energy: -143.143
bonds (distance) P-C4' energy: -155.440
flat angles C4'-P-C4' energy: -161.405
flat angles P-C4'-P energy: -104.406
tors. eta vs tors. theta energy: -182.833
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: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2248.446813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.446813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.147102 (E_RNA)
where:
Base-Base interactions energy: -1524.545
where: short stacking energy: -681.257
Base-Backbone interact. energy: 3.615
local terms energy: -730.216596
where:
bonds (distance) C4'-P energy: -138.170
bonds (distance) P-C4' energy: -142.494
flat angles C4'-P-C4' energy: -166.515
flat angles P-C4'-P energy: -99.921
tors. eta vs tors. theta energy: -183.116
Dist. restrs. and SS energy: 2.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2126.238399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.238399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.488660 (E_RNA)
where:
Base-Base interactions energy: -1437.259
where: short stacking energy: -626.002
Base-Backbone interact. energy: 2.894
local terms energy: -694.123678
where:
bonds (distance) C4'-P energy: -131.954
bonds (distance) P-C4' energy: -137.737
flat angles C4'-P-C4' energy: -134.874
flat angles P-C4'-P energy: -107.552
tors. eta vs tors. theta energy: -182.007
Dist. restrs. and SS energy: 2.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2029.968978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.968978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.772183 (E_RNA)
where:
Base-Base interactions energy: -1373.874
where: short stacking energy: -589.497
Base-Backbone interact. energy: -1.297
local terms energy: -659.601266
where:
bonds (distance) C4'-P energy: -138.435
bonds (distance) P-C4' energy: -119.613
flat angles C4'-P-C4' energy: -151.573
flat angles P-C4'-P energy: -98.697
tors. eta vs tors. theta energy: -151.283
Dist. restrs. and SS energy: 4.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1946.333869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.333869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.016479 (E_RNA)
where:
Base-Base interactions energy: -1304.373
where: short stacking energy: -545.606
Base-Backbone interact. energy: 5.714
local terms energy: -653.357627
where:
bonds (distance) C4'-P energy: -142.890
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -142.330
flat angles P-C4'-P energy: -85.962
tors. eta vs tors. theta energy: -137.807
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: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1837.394437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.394437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.819430 (E_RNA)
where:
Base-Base interactions energy: -1292.461
where: short stacking energy: -533.422
Base-Backbone interact. energy: -2.358
local terms energy: -547.000066
where:
bonds (distance) C4'-P energy: -108.128
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -112.102
flat angles P-C4'-P energy: -85.427
tors. eta vs tors. theta energy: -119.097
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: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2868.735383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.735383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.815212 (E_RNA)
where:
Base-Base interactions energy: -1963.546
where: short stacking energy: -850.109
Base-Backbone interact. energy: -0.403
local terms energy: -905.866172
where:
bonds (distance) C4'-P energy: -166.237
bonds (distance) P-C4' energy: -178.869
flat angles C4'-P-C4' energy: -181.619
flat angles P-C4'-P energy: -132.226
tors. eta vs tors. theta energy: -246.915
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: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2741.095151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.095151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.913184 (E_RNA)
where:
Base-Base interactions energy: -1914.839
where: short stacking energy: -808.471
Base-Backbone interact. energy: 8.039
local terms energy: -837.113510
where:
bonds (distance) C4'-P energy: -148.273
bonds (distance) P-C4' energy: -166.743
flat angles C4'-P-C4' energy: -174.195
flat angles P-C4'-P energy: -118.901
tors. eta vs tors. theta energy: -229.003
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2610.606995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.606995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.220686 (E_RNA)
where:
Base-Base interactions energy: -1839.080
where: short stacking energy: -766.073
Base-Backbone interact. energy: 0.473
local terms energy: -773.613249
where:
bonds (distance) C4'-P energy: -124.863
bonds (distance) P-C4' energy: -158.696
flat angles C4'-P-C4' energy: -165.291
flat angles P-C4'-P energy: -122.432
tors. eta vs tors. theta energy: -202.332
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2427.070499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.070499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.388775 (E_RNA)
where:
Base-Base interactions energy: -1658.443
where: short stacking energy: -695.861
Base-Backbone interact. energy: 4.714
local terms energy: -774.660167
where:
bonds (distance) C4'-P energy: -149.719
bonds (distance) P-C4' energy: -135.337
flat angles C4'-P-C4' energy: -185.713
flat angles P-C4'-P energy: -110.148
tors. eta vs tors. theta energy: -193.742
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: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2250.287430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.287430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.886164 (E_RNA)
where:
Base-Base interactions energy: -1519.619
where: short stacking energy: -650.629
Base-Backbone interact. energy: -3.420
local terms energy: -728.847122
where:
bonds (distance) C4'-P energy: -136.133
bonds (distance) P-C4' energy: -152.812
flat angles C4'-P-C4' energy: -152.079
flat angles P-C4'-P energy: -108.750
tors. eta vs tors. theta energy: -179.073
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2220.192482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.192482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.528139 (E_RNA)
where:
Base-Base interactions energy: -1506.864
where: short stacking energy: -671.332
Base-Backbone interact. energy: -2.627
local terms energy: -713.036387
where:
bonds (distance) C4'-P energy: -133.982
bonds (distance) P-C4' energy: -129.496
flat angles C4'-P-C4' energy: -156.165
flat angles P-C4'-P energy: -111.053
tors. eta vs tors. theta energy: -182.340
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: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2106.668759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.668759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.742935 (E_RNA)
where:
Base-Base interactions energy: -1428.823
where: short stacking energy: -620.143
Base-Backbone interact. energy: -2.721
local terms energy: -677.198389
where:
bonds (distance) C4'-P energy: -146.983
bonds (distance) P-C4' energy: -114.130
flat angles C4'-P-C4' energy: -144.856
flat angles P-C4'-P energy: -101.267
tors. eta vs tors. theta energy: -169.962
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: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1941.688600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.688600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.721955 (E_RNA)
where:
Base-Base interactions energy: -1311.508
where: short stacking energy: -524.925
Base-Backbone interact. energy: -3.500
local terms energy: -633.714810
where:
bonds (distance) C4'-P energy: -144.686
bonds (distance) P-C4' energy: -140.154
flat angles C4'-P-C4' energy: -138.500
flat angles P-C4'-P energy: -86.217
tors. eta vs tors. theta energy: -124.159
Dist. restrs. and SS energy: 7.033 (S_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: 116
Temperature: 1.300000
Total energy: -2000.680040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.680040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.265491 (E_RNA)
where:
Base-Base interactions energy: -1327.754
where: short stacking energy: -576.979
Base-Backbone interact. energy: 3.617
local terms energy: -682.128098
where:
bonds (distance) C4'-P energy: -145.436
bonds (distance) P-C4' energy: -140.648
flat angles C4'-P-C4' energy: -150.047
flat angles P-C4'-P energy: -95.581
tors. eta vs tors. theta energy: -150.416
Dist. restrs. and SS energy: 5.585 (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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1820.026394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.026394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.822717 (E_RNA)
where:
Base-Base interactions energy: -1256.626
where: short stacking energy: -515.756
Base-Backbone interact. energy: 0.660
local terms energy: -566.856680
where:
bonds (distance) C4'-P energy: -109.627
bonds (distance) P-C4' energy: -126.640
flat angles C4'-P-C4' energy: -130.647
flat angles P-C4'-P energy: -80.334
tors. eta vs tors. theta energy: -119.609
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2849.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.183307 (E_RNA)
where:
Base-Base interactions energy: -1956.446
where: short stacking energy: -862.240
Base-Backbone interact. energy: 1.492
local terms energy: -895.229290
where:
bonds (distance) C4'-P energy: -177.310
bonds (distance) P-C4' energy: -165.238
flat angles C4'-P-C4' energy: -181.318
flat angles P-C4'-P energy: -125.025
tors. eta vs tors. theta energy: -246.338
Dist. restrs. and SS energy: 0.642 (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: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2735.761660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.761660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.478261 (E_RNA)
where:
Base-Base interactions energy: -1895.224
where: short stacking energy: -797.013
Base-Backbone interact. energy: -2.390
local terms energy: -839.864207
where:
bonds (distance) C4'-P energy: -149.101
bonds (distance) P-C4' energy: -142.520
flat angles C4'-P-C4' energy: -181.748
flat angles P-C4'-P energy: -134.850
tors. eta vs tors. theta energy: -231.646
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: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2642.756179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.756179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.536844 (E_RNA)
where:
Base-Base interactions energy: -1818.339
where: short stacking energy: -771.035
Base-Backbone interact. energy: -3.879
local terms energy: -822.318109
where:
bonds (distance) C4'-P energy: -157.973
bonds (distance) P-C4' energy: -161.483
flat angles C4'-P-C4' energy: -183.775
flat angles P-C4'-P energy: -104.606
tors. eta vs tors. theta energy: -214.481
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: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2460.818542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.818542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.413899 (E_RNA)
where:
Base-Base interactions energy: -1703.807
where: short stacking energy: -751.888
Base-Backbone interact. energy: 6.834
local terms energy: -765.440809
where:
bonds (distance) C4'-P energy: -154.249
bonds (distance) P-C4' energy: -123.024
flat angles C4'-P-C4' energy: -166.211
flat angles P-C4'-P energy: -110.164
tors. eta vs tors. theta energy: -211.792
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2258.908950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.908950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.314958 (E_RNA)
where:
Base-Base interactions energy: -1523.476
where: short stacking energy: -649.201
Base-Backbone interact. energy: 1.194
local terms energy: -740.033005
where:
bonds (distance) C4'-P energy: -136.772
bonds (distance) P-C4' energy: -141.215
flat angles C4'-P-C4' energy: -168.607
flat angles P-C4'-P energy: -114.033
tors. eta vs tors. theta energy: -179.406
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2186.610908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.610908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.175778 (E_RNA)
where:
Base-Base interactions energy: -1487.051
where: short stacking energy: -645.089
Base-Backbone interact. energy: -1.781
local terms energy: -699.343389
where:
bonds (distance) C4'-P energy: -134.118
bonds (distance) P-C4' energy: -121.331
flat angles C4'-P-C4' energy: -165.231
flat angles P-C4'-P energy: -100.441
tors. eta vs tors. theta energy: -178.222
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2055.547947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.547947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.337899 (E_RNA)
where:
Base-Base interactions energy: -1410.872
where: short stacking energy: -593.468
Base-Backbone interact. energy: 1.225
local terms energy: -647.691046
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -162.602
flat angles P-C4'-P energy: -76.742
tors. eta vs tors. theta energy: -153.811
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2006.936053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.936053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.714510 (E_RNA)
where:
Base-Base interactions energy: -1345.713
where: short stacking energy: -546.154
Base-Backbone interact. energy: -2.233
local terms energy: -660.768707
where:
bonds (distance) C4'-P energy: -126.135
bonds (distance) P-C4' energy: -150.927
flat angles C4'-P-C4' energy: -143.184
flat angles P-C4'-P energy: -102.869
tors. eta vs tors. theta energy: -137.654
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: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1919.364737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.364737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.441136 (E_RNA)
where:
Base-Base interactions energy: -1269.716
where: short stacking energy: -547.750
Base-Backbone interact. energy: -1.839
local terms energy: -658.886106
where:
bonds (distance) C4'-P energy: -136.822
bonds (distance) P-C4' energy: -136.749
flat angles C4'-P-C4' energy: -149.648
flat angles P-C4'-P energy: -100.653
tors. eta vs tors. theta energy: -135.014
Dist. restrs. and SS energy: 11.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1874.414897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.414897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.186184 (E_RNA)
where:
Base-Base interactions energy: -1306.988
where: short stacking energy: -536.678
Base-Backbone interact. energy: -5.140
local terms energy: -566.058291
where:
bonds (distance) C4'-P energy: -117.287
bonds (distance) P-C4' energy: -125.731
flat angles C4'-P-C4' energy: -124.855
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -122.328
Dist. restrs. and SS energy: 3.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2869.924844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.924844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.842781 (E_RNA)
where:
Base-Base interactions energy: -1968.370
where: short stacking energy: -848.676
Base-Backbone interact. energy: -0.999
local terms energy: -901.474436
where:
bonds (distance) C4'-P energy: -158.826
bonds (distance) P-C4' energy: -164.853
flat angles C4'-P-C4' energy: -191.692
flat angles P-C4'-P energy: -137.690
tors. eta vs tors. theta energy: -248.414
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2721.831818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.831818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.704985 (E_RNA)
where:
Base-Base interactions energy: -1893.587
where: short stacking energy: -802.389
Base-Backbone interact. energy: -4.538
local terms energy: -826.580263
where:
bonds (distance) C4'-P energy: -154.798
bonds (distance) P-C4' energy: -134.198
flat angles C4'-P-C4' energy: -182.421
flat angles P-C4'-P energy: -121.976
tors. eta vs tors. theta energy: -233.187
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2663.327895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.327895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.439689 (E_RNA)
where:
Base-Base interactions energy: -1853.263
where: short stacking energy: -799.442
Base-Backbone interact. energy: -0.227
local terms energy: -812.950109
where:
bonds (distance) C4'-P energy: -154.980
bonds (distance) P-C4' energy: -146.119
flat angles C4'-P-C4' energy: -176.754
flat angles P-C4'-P energy: -108.837
tors. eta vs tors. theta energy: -226.260
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2431.857888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.857888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.876553 (E_RNA)
where:
Base-Base interactions energy: -1652.265
where: short stacking energy: -702.483
Base-Backbone interact. energy: -2.539
local terms energy: -779.072707
where:
bonds (distance) C4'-P energy: -140.273
bonds (distance) P-C4' energy: -156.677
flat angles C4'-P-C4' energy: -173.362
flat angles P-C4'-P energy: -104.927
tors. eta vs tors. theta energy: -203.833
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: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2268.570659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.101922 (E_RNA)
where:
Base-Base interactions energy: -1551.063
where: short stacking energy: -656.312
Base-Backbone interact. energy: -2.690
local terms energy: -718.349318
where:
bonds (distance) C4'-P energy: -144.846
bonds (distance) P-C4' energy: -135.140
flat angles C4'-P-C4' energy: -164.374
flat angles P-C4'-P energy: -110.634
tors. eta vs tors. theta energy: -163.355
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2201.062059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.062059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.603885 (E_RNA)
where:
Base-Base interactions energy: -1485.298
where: short stacking energy: -637.939
Base-Backbone interact. energy: 1.087
local terms energy: -718.392671
where:
bonds (distance) C4'-P energy: -141.869
bonds (distance) P-C4' energy: -116.917
flat angles C4'-P-C4' energy: -173.809
flat angles P-C4'-P energy: -101.968
tors. eta vs tors. theta energy: -183.830
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: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2116.523647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.523647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.845846 (E_RNA)
where:
Base-Base interactions energy: -1420.048
where: short stacking energy: -605.717
Base-Backbone interact. energy: -0.627
local terms energy: -698.171030
where:
bonds (distance) C4'-P energy: -129.500
bonds (distance) P-C4' energy: -146.357
flat angles C4'-P-C4' energy: -159.244
flat angles P-C4'-P energy: -100.418
tors. eta vs tors. theta energy: -162.652
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: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1988.164199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.164199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.470797 (E_RNA)
where:
Base-Base interactions energy: -1360.307
where: short stacking energy: -584.084
Base-Backbone interact. energy: 2.656
local terms energy: -633.819733
where:
bonds (distance) C4'-P energy: -136.961
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -137.818
flat angles P-C4'-P energy: -72.773
tors. eta vs tors. theta energy: -154.510
Dist. restrs. and SS energy: 3.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1963.133668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.133668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.044115 (E_RNA)
where:
Base-Base interactions energy: -1328.065
where: short stacking energy: -553.097
Base-Backbone interact. energy: -0.612
local terms energy: -638.367212
where:
bonds (distance) C4'-P energy: -116.496
bonds (distance) P-C4' energy: -132.180
flat angles C4'-P-C4' energy: -144.579
flat angles P-C4'-P energy: -97.381
tors. eta vs tors. theta energy: -147.732
Dist. restrs. and SS energy: 3.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1855.796863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.796863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.940720 (E_RNA)
where:
Base-Base interactions energy: -1250.465
where: short stacking energy: -505.332
Base-Backbone interact. energy: 2.242
local terms energy: -612.717458
where:
bonds (distance) C4'-P energy: -135.246
bonds (distance) P-C4' energy: -130.312
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -94.587
tors. eta vs tors. theta energy: -133.367
Dist. restrs. and SS energy: 5.144 (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: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2852.876234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.876234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.385674 (E_RNA)
where:
Base-Base interactions energy: -1977.848
where: short stacking energy: -835.267
Base-Backbone interact. energy: 0.618
local terms energy: -877.155485
where:
bonds (distance) C4'-P energy: -158.966
bonds (distance) P-C4' energy: -158.464
flat angles C4'-P-C4' energy: -195.944
flat angles P-C4'-P energy: -120.801
tors. eta vs tors. theta energy: -242.981
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2687.783836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.783836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.414670 (E_RNA)
where:
Base-Base interactions energy: -1836.764
where: short stacking energy: -790.170
Base-Backbone interact. energy: -3.881
local terms energy: -849.769950
where:
bonds (distance) C4'-P energy: -157.016
bonds (distance) P-C4' energy: -165.015
flat angles C4'-P-C4' energy: -188.439
flat angles P-C4'-P energy: -112.744
tors. eta vs tors. theta energy: -226.556
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: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2609.058203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.058203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.196647 (E_RNA)
where:
Base-Base interactions energy: -1788.750
where: short stacking energy: -752.842
Base-Backbone interact. energy: 2.095
local terms energy: -824.541687
where:
bonds (distance) C4'-P energy: -155.769
bonds (distance) P-C4' energy: -158.826
flat angles C4'-P-C4' energy: -182.807
flat angles P-C4'-P energy: -118.409
tors. eta vs tors. theta energy: -208.731
Dist. restrs. and SS energy: 2.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2413.923725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.923725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.699669 (E_RNA)
where:
Base-Base interactions energy: -1664.449
where: short stacking energy: -721.087
Base-Backbone interact. energy: -1.701
local terms energy: -748.549169
where:
bonds (distance) C4'-P energy: -143.817
bonds (distance) P-C4' energy: -146.369
flat angles C4'-P-C4' energy: -151.587
flat angles P-C4'-P energy: -103.061
tors. eta vs tors. theta energy: -203.715
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2274.701053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.701053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.190943 (E_RNA)
where:
Base-Base interactions energy: -1532.809
where: short stacking energy: -654.413
Base-Backbone interact. energy: 0.668
local terms energy: -744.050448
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -136.641
flat angles C4'-P-C4' energy: -173.716
flat angles P-C4'-P energy: -105.968
tors. eta vs tors. theta energy: -192.277
Dist. restrs. and SS energy: 1.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2222.753988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.753988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.676896 (E_RNA)
where:
Base-Base interactions energy: -1485.317
where: short stacking energy: -659.949
Base-Backbone interact. energy: -3.729
local terms energy: -735.631009
where:
bonds (distance) C4'-P energy: -143.199
bonds (distance) P-C4' energy: -140.309
flat angles C4'-P-C4' energy: -163.429
flat angles P-C4'-P energy: -111.848
tors. eta vs tors. theta energy: -176.846
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2119.132592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.132592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.346312 (E_RNA)
where:
Base-Base interactions energy: -1430.922
where: short stacking energy: -619.742
Base-Backbone interact. energy: -4.915
local terms energy: -684.509428
where:
bonds (distance) C4'-P energy: -145.153
bonds (distance) P-C4' energy: -145.228
flat angles C4'-P-C4' energy: -156.051
flat angles P-C4'-P energy: -82.570
tors. eta vs tors. theta energy: -155.507
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: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2049.245477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.245477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.151488 (E_RNA)
where:
Base-Base interactions energy: -1405.843
where: short stacking energy: -586.003
Base-Backbone interact. energy: 2.679
local terms energy: -649.987087
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -132.454
flat angles C4'-P-C4' energy: -152.490
flat angles P-C4'-P energy: -83.018
tors. eta vs tors. theta energy: -167.873
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: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -2032.189838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.189838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.925730 (E_RNA)
where:
Base-Base interactions energy: -1414.975
where: short stacking energy: -597.504
Base-Backbone interact. energy: 0.443
local terms energy: -619.393393
where:
bonds (distance) C4'-P energy: -135.026
bonds (distance) P-C4' energy: -103.697
flat angles C4'-P-C4' energy: -151.555
flat angles P-C4'-P energy: -73.383
tors. eta vs tors. theta energy: -155.731
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: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1850.617977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.617977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.246492 (E_RNA)
where:
Base-Base interactions energy: -1274.277
where: short stacking energy: -527.262
Base-Backbone interact. energy: -0.803
local terms energy: -579.165595
where:
bonds (distance) C4'-P energy: -131.211
bonds (distance) P-C4' energy: -118.381
flat angles C4'-P-C4' energy: -133.075
flat angles P-C4'-P energy: -68.362
tors. eta vs tors. theta energy: -128.136
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: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2900.379718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.379718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.421234 (E_RNA)
where:
Base-Base interactions energy: -1995.595
where: short stacking energy: -822.274
Base-Backbone interact. energy: 5.775
local terms energy: -911.600499
where:
bonds (distance) C4'-P energy: -169.561
bonds (distance) P-C4' energy: -165.984
flat angles C4'-P-C4' energy: -194.808
flat angles P-C4'-P energy: -127.988
tors. eta vs tors. theta energy: -253.259
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2690.924177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.924177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.536066 (E_RNA)
where:
Base-Base interactions energy: -1861.746
where: short stacking energy: -777.580
Base-Backbone interact. energy: -2.317
local terms energy: -829.473324
where:
bonds (distance) C4'-P energy: -149.111
bonds (distance) P-C4' energy: -165.319
flat angles C4'-P-C4' energy: -176.976
flat angles P-C4'-P energy: -113.751
tors. eta vs tors. theta energy: -224.317
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2586.943364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.943364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.546052 (E_RNA)
where:
Base-Base interactions energy: -1774.570
where: short stacking energy: -760.109
Base-Backbone interact. energy: -3.161
local terms energy: -810.814975
where:
bonds (distance) C4'-P energy: -138.276
bonds (distance) P-C4' energy: -155.568
flat angles C4'-P-C4' energy: -184.676
flat angles P-C4'-P energy: -114.258
tors. eta vs tors. theta energy: -218.037
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: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2460.320029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.320029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.249985 (E_RNA)
where:
Base-Base interactions energy: -1688.507
where: short stacking energy: -727.842
Base-Backbone interact. energy: 4.628
local terms energy: -779.370834
where:
bonds (distance) C4'-P energy: -150.833
bonds (distance) P-C4' energy: -150.857
flat angles C4'-P-C4' energy: -163.479
flat angles P-C4'-P energy: -106.243
tors. eta vs tors. theta energy: -207.959
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: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2295.485719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.485719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.643263 (E_RNA)
where:
Base-Base interactions energy: -1553.094
where: short stacking energy: -654.088
Base-Backbone interact. energy: -2.185
local terms energy: -742.363973
where:
bonds (distance) C4'-P energy: -157.432
bonds (distance) P-C4' energy: -151.299
flat angles C4'-P-C4' energy: -162.572
flat angles P-C4'-P energy: -95.972
tors. eta vs tors. theta energy: -175.088
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: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2264.058693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.058693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.628527 (E_RNA)
where:
Base-Base interactions energy: -1532.313
where: short stacking energy: -674.593
Base-Backbone interact. energy: -1.231
local terms energy: -732.084476
where:
bonds (distance) C4'-P energy: -140.673
bonds (distance) P-C4' energy: -141.572
flat angles C4'-P-C4' energy: -177.773
flat angles P-C4'-P energy: -92.637
tors. eta vs tors. theta energy: -179.430
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2119.339625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.339625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.199738 (E_RNA)
where:
Base-Base interactions energy: -1427.088
where: short stacking energy: -614.560
Base-Backbone interact. energy: -4.329
local terms energy: -690.783026
where:
bonds (distance) C4'-P energy: -132.379
bonds (distance) P-C4' energy: -130.542
flat angles C4'-P-C4' energy: -154.605
flat angles P-C4'-P energy: -98.307
tors. eta vs tors. theta energy: -174.949
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: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2031.552436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.552436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.212368 (E_RNA)
where:
Base-Base interactions energy: -1388.282
where: short stacking energy: -576.276
Base-Backbone interact. energy: -0.858
local terms energy: -645.073072
where:
bonds (distance) C4'-P energy: -116.049
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -162.775
flat angles P-C4'-P energy: -92.707
tors. eta vs tors. theta energy: -159.720
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: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1907.515156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.777431 (E_RNA)
where:
Base-Base interactions energy: -1299.122
where: short stacking energy: -541.420
Base-Backbone interact. energy: 5.473
local terms energy: -616.127924
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -119.710
flat angles C4'-P-C4' energy: -137.086
flat angles P-C4'-P energy: -92.871
tors. eta vs tors. theta energy: -147.813
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: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1891.284721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.284721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.871955 (E_RNA)
where:
Base-Base interactions energy: -1287.261
where: short stacking energy: -541.323
Base-Backbone interact. energy: -0.765
local terms energy: -606.845199
where:
bonds (distance) C4'-P energy: -120.747
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -152.718
flat angles P-C4'-P energy: -83.086
tors. eta vs tors. theta energy: -133.564
Dist. restrs. and SS energy: 3.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2832.848250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.848250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.145066 (E_RNA)
where:
Base-Base interactions energy: -1960.345
where: short stacking energy: -836.980
Base-Backbone interact. energy: -1.784
local terms energy: -872.016385
where:
bonds (distance) C4'-P energy: -155.084
bonds (distance) P-C4' energy: -159.398
flat angles C4'-P-C4' energy: -184.335
flat angles P-C4'-P energy: -131.083
tors. eta vs tors. theta energy: -242.117
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: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2687.866286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.866286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.488534 (E_RNA)
where:
Base-Base interactions energy: -1872.329
where: short stacking energy: -782.009
Base-Backbone interact. energy: -3.166
local terms energy: -814.994063
where:
bonds (distance) C4'-P energy: -143.634
bonds (distance) P-C4' energy: -158.026
flat angles C4'-P-C4' energy: -178.298
flat angles P-C4'-P energy: -118.670
tors. eta vs tors. theta energy: -216.366
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: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2594.100561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.100561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.280866 (E_RNA)
where:
Base-Base interactions energy: -1762.005
where: short stacking energy: -756.755
Base-Backbone interact. energy: 2.898
local terms energy: -836.173875
where:
bonds (distance) C4'-P energy: -165.744
bonds (distance) P-C4' energy: -156.210
flat angles C4'-P-C4' energy: -177.611
flat angles P-C4'-P energy: -113.803
tors. eta vs tors. theta energy: -222.806
Dist. restrs. and SS energy: 1.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2442.872951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.872951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.952448 (E_RNA)
where:
Base-Base interactions energy: -1665.086
where: short stacking energy: -706.509
Base-Backbone interact. energy: -2.391
local terms energy: -777.474913
where:
bonds (distance) C4'-P energy: -159.612
bonds (distance) P-C4' energy: -157.555
flat angles C4'-P-C4' energy: -162.054
flat angles P-C4'-P energy: -97.154
tors. eta vs tors. theta energy: -201.101
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2291.336697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.336697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.845612 (E_RNA)
where:
Base-Base interactions energy: -1532.971
where: short stacking energy: -663.216
Base-Backbone interact. energy: -3.885
local terms energy: -755.989343
where:
bonds (distance) C4'-P energy: -138.565
bonds (distance) P-C4' energy: -142.421
flat angles C4'-P-C4' energy: -169.846
flat angles P-C4'-P energy: -117.797
tors. eta vs tors. theta energy: -187.361
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2270.816343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.816343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.384680 (E_RNA)
where:
Base-Base interactions energy: -1553.910
where: short stacking energy: -662.507
Base-Backbone interact. energy: -4.974
local terms energy: -715.500185
where:
bonds (distance) C4'-P energy: -130.149
bonds (distance) P-C4' energy: -147.097
flat angles C4'-P-C4' energy: -153.529
flat angles P-C4'-P energy: -111.305
tors. eta vs tors. theta energy: -173.419
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2112.395007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.395007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.338857 (E_RNA)
where:
Base-Base interactions energy: -1431.337
where: short stacking energy: -623.682
Base-Backbone interact. energy: -0.575
local terms energy: -683.427093
where:
bonds (distance) C4'-P energy: -133.135
bonds (distance) P-C4' energy: -142.180
flat angles C4'-P-C4' energy: -158.197
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -171.398
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2045.928006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.928006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.055626 (E_RNA)
where:
Base-Base interactions energy: -1402.124
where: short stacking energy: -600.354
Base-Backbone interact. energy: -1.175
local terms energy: -644.756085
where:
bonds (distance) C4'-P energy: -135.759
bonds (distance) P-C4' energy: -130.251
flat angles C4'-P-C4' energy: -143.565
flat angles P-C4'-P energy: -88.828
tors. eta vs tors. theta energy: -146.354
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1993.459460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.459460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.087886 (E_RNA)
where:
Base-Base interactions energy: -1353.082
where: short stacking energy: -580.905
Base-Backbone interact. energy: 8.320
local terms energy: -651.326429
where:
bonds (distance) C4'-P energy: -117.957
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -156.897
flat angles P-C4'-P energy: -97.439
tors. eta vs tors. theta energy: -142.841
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1873.782555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.782555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.639118 (E_RNA)
where:
Base-Base interactions energy: -1289.514
where: short stacking energy: -544.837
Base-Backbone interact. energy: 1.427
local terms energy: -588.551956
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -116.438
flat angles C4'-P-C4' energy: -142.357
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -125.901
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2852.820102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.820102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.037282 (E_RNA)
where:
Base-Base interactions energy: -1959.732
where: short stacking energy: -826.898
Base-Backbone interact. energy: -2.201
local terms energy: -892.104629
where:
bonds (distance) C4'-P energy: -165.672
bonds (distance) P-C4' energy: -171.504
flat angles C4'-P-C4' energy: -179.611
flat angles P-C4'-P energy: -124.046
tors. eta vs tors. theta energy: -251.271
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2708.154272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.154272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.631846 (E_RNA)
where:
Base-Base interactions energy: -1879.616
where: short stacking energy: -754.539
Base-Backbone interact. energy: 0.985
local terms energy: -831.000486
where:
bonds (distance) C4'-P energy: -175.349
bonds (distance) P-C4' energy: -158.576
flat angles C4'-P-C4' energy: -165.419
flat angles P-C4'-P energy: -128.422
tors. eta vs tors. theta energy: -203.233
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: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2602.687241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.687241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.894110 (E_RNA)
where:
Base-Base interactions energy: -1782.477
where: short stacking energy: -777.196
Base-Backbone interact. energy: 1.215
local terms energy: -824.632524
where:
bonds (distance) C4'-P energy: -175.762
bonds (distance) P-C4' energy: -159.569
flat angles C4'-P-C4' energy: -168.820
flat angles P-C4'-P energy: -109.734
tors. eta vs tors. theta energy: -210.748
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: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2426.796233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.796233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.201702 (E_RNA)
where:
Base-Base interactions energy: -1665.968
where: short stacking energy: -742.262
Base-Backbone interact. energy: -1.046
local terms energy: -761.187435
where:
bonds (distance) C4'-P energy: -151.451
bonds (distance) P-C4' energy: -155.321
flat angles C4'-P-C4' energy: -152.319
flat angles P-C4'-P energy: -94.812
tors. eta vs tors. theta energy: -207.285
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: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2290.362947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.362947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.480687 (E_RNA)
where:
Base-Base interactions energy: -1538.727
where: short stacking energy: -670.280
Base-Backbone interact. energy: -2.858
local terms energy: -750.895142
where:
bonds (distance) C4'-P energy: -142.375
bonds (distance) P-C4' energy: -151.079
flat angles C4'-P-C4' energy: -154.492
flat angles P-C4'-P energy: -117.867
tors. eta vs tors. theta energy: -185.083
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: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2193.927223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.655591 (E_RNA)
where:
Base-Base interactions energy: -1496.263
where: short stacking energy: -634.473
Base-Backbone interact. energy: -3.914
local terms energy: -696.478620
where:
bonds (distance) C4'-P energy: -143.153
bonds (distance) P-C4' energy: -118.669
flat angles C4'-P-C4' energy: -161.730
flat angles P-C4'-P energy: -92.448
tors. eta vs tors. theta energy: -180.478
Dist. restrs. and SS energy: 2.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2110.783232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.783232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.396713 (E_RNA)
where:
Base-Base interactions energy: -1458.669
where: short stacking energy: -608.840
Base-Backbone interact. energy: -0.072
local terms energy: -653.655759
where:
bonds (distance) C4'-P energy: -133.498
bonds (distance) P-C4' energy: -142.536
flat angles C4'-P-C4' energy: -145.463
flat angles P-C4'-P energy: -72.890
tors. eta vs tors. theta energy: -159.269
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: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2023.305512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.305512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.037986 (E_RNA)
where:
Base-Base interactions energy: -1360.077
where: short stacking energy: -595.220
Base-Backbone interact. energy: 0.152
local terms energy: -666.113096
where:
bonds (distance) C4'-P energy: -134.489
bonds (distance) P-C4' energy: -136.757
flat angles C4'-P-C4' energy: -150.119
flat angles P-C4'-P energy: -86.601
tors. eta vs tors. theta energy: -158.146
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1934.873530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.873530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.497019 (E_RNA)
where:
Base-Base interactions energy: -1331.502
where: short stacking energy: -550.832
Base-Backbone interact. energy: -1.054
local terms energy: -604.941615
where:
bonds (distance) C4'-P energy: -129.128
bonds (distance) P-C4' energy: -130.587
flat angles C4'-P-C4' energy: -130.753
flat angles P-C4'-P energy: -75.155
tors. eta vs tors. theta energy: -139.320
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: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1830.349411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.129472 (E_RNA)
where:
Base-Base interactions energy: -1236.834
where: short stacking energy: -520.869
Base-Backbone interact. energy: 0.826
local terms energy: -602.122159
where:
bonds (distance) C4'-P energy: -116.482
bonds (distance) P-C4' energy: -142.560
flat angles C4'-P-C4' energy: -129.067
flat angles P-C4'-P energy: -77.200
tors. eta vs tors. theta energy: -136.812
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2835.531702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.531702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.347623 (E_RNA)
where:
Base-Base interactions energy: -1939.788
where: short stacking energy: -828.747
Base-Backbone interact. energy: -4.063
local terms energy: -893.497144
where:
bonds (distance) C4'-P energy: -169.363
bonds (distance) P-C4' energy: -158.897
flat angles C4'-P-C4' energy: -191.177
flat angles P-C4'-P energy: -124.214
tors. eta vs tors. theta energy: -249.846
Dist. restrs. and SS energy: 1.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2690.570766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.570766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.274266 (E_RNA)
where:
Base-Base interactions energy: -1864.701
where: short stacking energy: -768.576
Base-Backbone interact. energy: -1.127
local terms energy: -826.446204
where:
bonds (distance) C4'-P energy: -160.972
bonds (distance) P-C4' energy: -154.346
flat angles C4'-P-C4' energy: -172.215
flat angles P-C4'-P energy: -121.307
tors. eta vs tors. theta energy: -217.607
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: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2581.949000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.949000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.051644 (E_RNA)
where:
Base-Base interactions energy: -1769.530
where: short stacking energy: -761.141
Base-Backbone interact. energy: -1.266
local terms energy: -814.255594
where:
bonds (distance) C4'-P energy: -159.418
bonds (distance) P-C4' energy: -162.122
flat angles C4'-P-C4' energy: -169.178
flat angles P-C4'-P energy: -113.716
tors. eta vs tors. theta energy: -209.821
Dist. restrs. and SS energy: 3.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2443.527493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.957424 (E_RNA)
where:
Base-Base interactions energy: -1658.228
where: short stacking energy: -717.999
Base-Backbone interact. energy: -1.984
local terms energy: -784.745493
where:
bonds (distance) C4'-P energy: -145.778
bonds (distance) P-C4' energy: -163.276
flat angles C4'-P-C4' energy: -174.788
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -199.095
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2232.181273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.181273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.013377 (E_RNA)
where:
Base-Base interactions energy: -1498.770
where: short stacking energy: -640.733
Base-Backbone interact. energy: -4.093
local terms energy: -731.149998
where:
bonds (distance) C4'-P energy: -148.285
bonds (distance) P-C4' energy: -149.326
flat angles C4'-P-C4' energy: -165.354
flat angles P-C4'-P energy: -100.710
tors. eta vs tors. theta energy: -167.475
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: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2179.110223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.110223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.864490 (E_RNA)
where:
Base-Base interactions energy: -1486.367
where: short stacking energy: -643.527
Base-Backbone interact. energy: -2.269
local terms energy: -693.228502
where:
bonds (distance) C4'-P energy: -130.521
bonds (distance) P-C4' energy: -128.179
flat angles C4'-P-C4' energy: -151.654
flat angles P-C4'-P energy: -112.906
tors. eta vs tors. theta energy: -169.968
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2100.369568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.369568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.261807 (E_RNA)
where:
Base-Base interactions energy: -1411.748
where: short stacking energy: -641.540
Base-Backbone interact. energy: 2.207
local terms energy: -692.720697
where:
bonds (distance) C4'-P energy: -144.352
bonds (distance) P-C4' energy: -133.425
flat angles C4'-P-C4' energy: -137.158
flat angles P-C4'-P energy: -97.590
tors. eta vs tors. theta energy: -180.195
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: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2003.087385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.087385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.761619 (E_RNA)
where:
Base-Base interactions energy: -1341.026
where: short stacking energy: -604.131
Base-Backbone interact. energy: 0.180
local terms energy: -664.915672
where:
bonds (distance) C4'-P energy: -140.528
bonds (distance) P-C4' energy: -140.751
flat angles C4'-P-C4' energy: -150.369
flat angles P-C4'-P energy: -74.738
tors. eta vs tors. theta energy: -158.529
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1940.503502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.503502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.444687 (E_RNA)
where:
Base-Base interactions energy: -1325.427
where: short stacking energy: -558.682
Base-Backbone interact. energy: -0.953
local terms energy: -619.065035
where:
bonds (distance) C4'-P energy: -112.578
bonds (distance) P-C4' energy: -140.451
flat angles C4'-P-C4' energy: -128.830
flat angles P-C4'-P energy: -102.329
tors. eta vs tors. theta energy: -134.877
Dist. restrs. and SS energy: 4.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1823.803814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.803814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.738402 (E_RNA)
where:
Base-Base interactions energy: -1230.240
where: short stacking energy: -494.457
Base-Backbone interact. energy: 1.667
local terms energy: -604.165305
where:
bonds (distance) C4'-P energy: -142.970
bonds (distance) P-C4' energy: -130.038
flat angles C4'-P-C4' energy: -132.704
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -121.807
Dist. restrs. and SS energy: 8.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2852.133130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2852.133130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.927995 (E_RNA)
where:
Base-Base interactions energy: -1958.866
where: short stacking energy: -843.867
Base-Backbone interact. energy: -4.555
local terms energy: -890.506755
where:
bonds (distance) C4'-P energy: -166.738
bonds (distance) P-C4' energy: -152.662
flat angles C4'-P-C4' energy: -190.559
flat angles P-C4'-P energy: -129.105
tors. eta vs tors. theta energy: -251.443
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: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2727.889274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.889274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.417288 (E_RNA)
where:
Base-Base interactions energy: -1881.012
where: short stacking energy: -813.617
Base-Backbone interact. energy: -3.541
local terms energy: -845.863970
where:
bonds (distance) C4'-P energy: -146.714
bonds (distance) P-C4' energy: -157.582
flat angles C4'-P-C4' energy: -180.226
flat angles P-C4'-P energy: -123.883
tors. eta vs tors. theta energy: -237.459
Dist. restrs. and SS energy: 2.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2553.836415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.836415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.730254 (E_RNA)
where:
Base-Base interactions energy: -1762.610
where: short stacking energy: -743.874
Base-Backbone interact. energy: 4.492
local terms energy: -797.612479
where:
bonds (distance) C4'-P energy: -154.518
bonds (distance) P-C4' energy: -146.699
flat angles C4'-P-C4' energy: -176.933
flat angles P-C4'-P energy: -114.384
tors. eta vs tors. theta energy: -205.079
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: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2449.235904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.235904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.249419 (E_RNA)
where:
Base-Base interactions energy: -1657.686
where: short stacking energy: -717.789
Base-Backbone interact. energy: -0.650
local terms energy: -792.912891
where:
bonds (distance) C4'-P energy: -150.504
bonds (distance) P-C4' energy: -143.584
flat angles C4'-P-C4' energy: -175.043
flat angles P-C4'-P energy: -125.406
tors. eta vs tors. theta energy: -198.376
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2250.907549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.907549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.147159 (E_RNA)
where:
Base-Base interactions energy: -1544.064
where: short stacking energy: -669.969
Base-Backbone interact. energy: 4.033
local terms energy: -712.116606
where:
bonds (distance) C4'-P energy: -128.997
bonds (distance) P-C4' energy: -147.129
flat angles C4'-P-C4' energy: -148.276
flat angles P-C4'-P energy: -102.119
tors. eta vs tors. theta energy: -185.595
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: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2296.907212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.907212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.226444 (E_RNA)
where:
Base-Base interactions energy: -1590.370
where: short stacking energy: -662.392
Base-Backbone interact. energy: -3.134
local terms energy: -704.722240
where:
bonds (distance) C4'-P energy: -147.048
bonds (distance) P-C4' energy: -118.922
flat angles C4'-P-C4' energy: -148.011
flat angles P-C4'-P energy: -106.618
tors. eta vs tors. theta energy: -184.125
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2111.443415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.443415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.743493 (E_RNA)
where:
Base-Base interactions energy: -1469.061
where: short stacking energy: -629.611
Base-Backbone interact. energy: -2.828
local terms energy: -641.854458
where:
bonds (distance) C4'-P energy: -109.633
bonds (distance) P-C4' energy: -140.449
flat angles C4'-P-C4' energy: -152.253
flat angles P-C4'-P energy: -76.247
tors. eta vs tors. theta energy: -163.272
Dist. restrs. and SS energy: 2.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2006.855556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.855556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.168819 (E_RNA)
where:
Base-Base interactions energy: -1338.201
where: short stacking energy: -575.621
Base-Backbone interact. energy: 1.150
local terms energy: -672.117653
where:
bonds (distance) C4'-P energy: -140.146
bonds (distance) P-C4' energy: -139.976
flat angles C4'-P-C4' energy: -167.927
flat angles P-C4'-P energy: -82.731
tors. eta vs tors. theta energy: -141.337
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: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -2015.810149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.810149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.004581 (E_RNA)
where:
Base-Base interactions energy: -1342.738
where: short stacking energy: -567.421
Base-Backbone interact. energy: 0.735
local terms energy: -675.001204
where:
bonds (distance) C4'-P energy: -137.519
bonds (distance) P-C4' energy: -148.350
flat angles C4'-P-C4' energy: -155.841
flat angles P-C4'-P energy: -92.999
tors. eta vs tors. theta energy: -140.293
Dist. restrs. and SS energy: 1.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1832.139396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.139396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.146163 (E_RNA)
where:
Base-Base interactions energy: -1248.345
where: short stacking energy: -514.835
Base-Backbone interact. energy: -1.435
local terms energy: -586.366197
where:
bonds (distance) C4'-P energy: -133.359
bonds (distance) P-C4' energy: -116.728
flat angles C4'-P-C4' energy: -127.946
flat angles P-C4'-P energy: -75.380
tors. eta vs tors. theta energy: -132.954
Dist. restrs. and SS energy: 4.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2882.299483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.299483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.754529 (E_RNA)
where:
Base-Base interactions energy: -2010.157
where: short stacking energy: -848.145
Base-Backbone interact. energy: -1.656
local terms energy: -871.941423
where:
bonds (distance) C4'-P energy: -153.053
bonds (distance) P-C4' energy: -165.531
flat angles C4'-P-C4' energy: -182.052
flat angles P-C4'-P energy: -122.400
tors. eta vs tors. theta energy: -248.906
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: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2671.009627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.009627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.913283 (E_RNA)
where:
Base-Base interactions energy: -1836.799
where: short stacking energy: -758.998
Base-Backbone interact. energy: -0.851
local terms energy: -835.264101
where:
bonds (distance) C4'-P energy: -175.304
bonds (distance) P-C4' energy: -157.395
flat angles C4'-P-C4' energy: -174.497
flat angles P-C4'-P energy: -116.955
tors. eta vs tors. theta energy: -211.113
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: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2551.457693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.457693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.013851 (E_RNA)
where:
Base-Base interactions energy: -1741.907
where: short stacking energy: -699.480
Base-Backbone interact. energy: -4.916
local terms energy: -807.190758
where:
bonds (distance) C4'-P energy: -156.309
bonds (distance) P-C4' energy: -159.827
flat angles C4'-P-C4' energy: -169.410
flat angles P-C4'-P energy: -119.120
tors. eta vs tors. theta energy: -202.525
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: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2446.665997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.665997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.281861 (E_RNA)
where:
Base-Base interactions energy: -1694.619
where: short stacking energy: -746.305
Base-Backbone interact. energy: 4.553
local terms energy: -758.216097
where:
bonds (distance) C4'-P energy: -117.390
bonds (distance) P-C4' energy: -163.277
flat angles C4'-P-C4' energy: -166.212
flat angles P-C4'-P energy: -107.325
tors. eta vs tors. theta energy: -204.012
Dist. restrs. and SS energy: 1.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2211.074497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.074497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.688264 (E_RNA)
where:
Base-Base interactions energy: -1463.127
where: short stacking energy: -621.889
Base-Backbone interact. energy: 2.940
local terms energy: -752.500947
where:
bonds (distance) C4'-P energy: -147.894
bonds (distance) P-C4' energy: -155.609
flat angles C4'-P-C4' energy: -166.755
flat angles P-C4'-P energy: -103.590
tors. eta vs tors. theta energy: -178.652
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2268.647208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.647208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.012999 (E_RNA)
where:
Base-Base interactions energy: -1564.296
where: short stacking energy: -650.775
Base-Backbone interact. energy: -0.918
local terms energy: -704.798324
where:
bonds (distance) C4'-P energy: -112.762
bonds (distance) P-C4' energy: -143.704
flat angles C4'-P-C4' energy: -166.507
flat angles P-C4'-P energy: -104.851
tors. eta vs tors. theta energy: -176.974
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: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2102.005453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.005453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.846860 (E_RNA)
where:
Base-Base interactions energy: -1416.189
where: short stacking energy: -606.788
Base-Backbone interact. energy: -1.958
local terms energy: -685.700296
where:
bonds (distance) C4'-P energy: -140.085
bonds (distance) P-C4' energy: -139.509
flat angles C4'-P-C4' energy: -166.468
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -161.314
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1986.014635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.014635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.763788 (E_RNA)
where:
Base-Base interactions energy: -1318.097
where: short stacking energy: -563.589
Base-Backbone interact. energy: 6.146
local terms energy: -677.813009
where:
bonds (distance) C4'-P energy: -128.369
bonds (distance) P-C4' energy: -150.287
flat angles C4'-P-C4' energy: -153.411
flat angles P-C4'-P energy: -85.392
tors. eta vs tors. theta energy: -160.354
Dist. restrs. and SS energy: 3.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1999.588020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.588020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.671473 (E_RNA)
where:
Base-Base interactions energy: -1361.189
where: short stacking energy: -560.355
Base-Backbone interact. energy: -1.225
local terms energy: -640.257317
where:
bonds (distance) C4'-P energy: -120.995
bonds (distance) P-C4' energy: -120.013
flat angles C4'-P-C4' energy: -156.394
flat angles P-C4'-P energy: -90.819
tors. eta vs tors. theta energy: -152.036
Dist. restrs. and SS energy: 3.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1870.946208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.946208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.555335 (E_RNA)
where:
Base-Base interactions energy: -1260.664
where: short stacking energy: -507.227
Base-Backbone interact. energy: -1.697
local terms energy: -614.194314
where:
bonds (distance) C4'-P energy: -122.538
bonds (distance) P-C4' energy: -154.220
flat angles C4'-P-C4' energy: -138.955
flat angles P-C4'-P energy: -65.423
tors. eta vs tors. theta energy: -133.058
Dist. restrs. and SS energy: 5.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2841.458506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.458506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.580405 (E_RNA)
where:
Base-Base interactions energy: -1938.593
where: short stacking energy: -830.382
Base-Backbone interact. energy: 0.047
local terms energy: -904.034270
where:
bonds (distance) C4'-P energy: -152.004
bonds (distance) P-C4' energy: -184.285
flat angles C4'-P-C4' energy: -188.476
flat angles P-C4'-P energy: -136.732
tors. eta vs tors. theta energy: -242.537
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2685.056796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.056796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.338461 (E_RNA)
where:
Base-Base interactions energy: -1864.017
where: short stacking energy: -785.287
Base-Backbone interact. energy: -0.754
local terms energy: -821.567526
where:
bonds (distance) C4'-P energy: -149.808
bonds (distance) P-C4' energy: -137.917
flat angles C4'-P-C4' energy: -185.566
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -230.967
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: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2564.563590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.563590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.038263 (E_RNA)
where:
Base-Base interactions energy: -1764.359
where: short stacking energy: -754.451
Base-Backbone interact. energy: 0.262
local terms energy: -801.941035
where:
bonds (distance) C4'-P energy: -154.288
bonds (distance) P-C4' energy: -148.210
flat angles C4'-P-C4' energy: -184.848
flat angles P-C4'-P energy: -106.181
tors. eta vs tors. theta energy: -208.414
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2450.165940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.165940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.810105 (E_RNA)
where:
Base-Base interactions energy: -1670.339
where: short stacking energy: -709.848
Base-Backbone interact. energy: 0.138
local terms energy: -781.608698
where:
bonds (distance) C4'-P energy: -136.218
bonds (distance) P-C4' energy: -157.715
flat angles C4'-P-C4' energy: -169.786
flat angles P-C4'-P energy: -117.196
tors. eta vs tors. theta energy: -200.695
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2335.043735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.043735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.554481 (E_RNA)
where:
Base-Base interactions energy: -1588.188
where: short stacking energy: -681.627
Base-Backbone interact. energy: 1.383
local terms energy: -749.749195
where:
bonds (distance) C4'-P energy: -146.266
bonds (distance) P-C4' energy: -157.760
flat angles C4'-P-C4' energy: -152.355
flat angles P-C4'-P energy: -100.078
tors. eta vs tors. theta energy: -193.290
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: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2153.371614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.371614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.583004 (E_RNA)
where:
Base-Base interactions energy: -1466.753
where: short stacking energy: -633.436
Base-Backbone interact. energy: -1.485
local terms energy: -687.345555
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -135.480
flat angles C4'-P-C4' energy: -155.891
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -189.189
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2129.818586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.818586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.362775 (E_RNA)
where:
Base-Base interactions energy: -1427.729
where: short stacking energy: -601.448
Base-Backbone interact. energy: -0.635
local terms energy: -702.998044
where:
bonds (distance) C4'-P energy: -126.361
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -156.223
flat angles P-C4'-P energy: -110.004
tors. eta vs tors. theta energy: -179.843
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1981.634668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.634668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.713468 (E_RNA)
where:
Base-Base interactions energy: -1348.066
where: short stacking energy: -584.458
Base-Backbone interact. energy: -0.513
local terms energy: -636.135223
where:
bonds (distance) C4'-P energy: -127.251
bonds (distance) P-C4' energy: -135.899
flat angles C4'-P-C4' energy: -143.198
flat angles P-C4'-P energy: -72.647
tors. eta vs tors. theta energy: -157.140
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: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1970.802139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.802139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.669075 (E_RNA)
where:
Base-Base interactions energy: -1326.747
where: short stacking energy: -574.773
Base-Backbone interact. energy: -0.439
local terms energy: -646.483396
where:
bonds (distance) C4'-P energy: -119.845
bonds (distance) P-C4' energy: -138.523
flat angles C4'-P-C4' energy: -144.136
flat angles P-C4'-P energy: -91.080
tors. eta vs tors. theta energy: -152.899
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: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1878.409102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.409102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.369985 (E_RNA)
where:
Base-Base interactions energy: -1265.106
where: short stacking energy: -536.060
Base-Backbone interact. energy: 4.136
local terms energy: -620.399935
where:
bonds (distance) C4'-P energy: -144.838
bonds (distance) P-C4' energy: -115.527
flat angles C4'-P-C4' energy: -143.435
flat angles P-C4'-P energy: -74.858
tors. eta vs tors. theta energy: -141.741
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: 127
Temperature: 0.900000
Total energy: -2864.903610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.903610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.741076 (E_RNA)
where:
Base-Base interactions energy: -1967.284
where: short stacking energy: -831.895
Base-Backbone interact. energy: -3.933
local terms energy: -895.523791
where:
bonds (distance) C4'-P energy: -165.568
bonds (distance) P-C4' energy: -166.719
flat angles C4'-P-C4' energy: -180.917
flat angles P-C4'-P energy: -133.329
tors. eta vs tors. theta energy: -248.991
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: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2677.027429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.027429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.838002 (E_RNA)
where:
Base-Base interactions energy: -1829.795
where: short stacking energy: -797.191
Base-Backbone interact. energy: 2.643
local terms energy: -851.686438
where:
bonds (distance) C4'-P energy: -152.916
bonds (distance) P-C4' energy: -162.858
flat angles C4'-P-C4' energy: -174.158
flat angles P-C4'-P energy: -121.182
tors. eta vs tors. theta energy: -240.573
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: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2624.665396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.665396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.466137 (E_RNA)
where:
Base-Base interactions energy: -1779.778
where: short stacking energy: -788.118
Base-Backbone interact. energy: -0.028
local terms energy: -846.660197
where:
bonds (distance) C4'-P energy: -157.840
bonds (distance) P-C4' energy: -159.733
flat angles C4'-P-C4' energy: -176.193
flat angles P-C4'-P energy: -113.855
tors. eta vs tors. theta energy: -239.040
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: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2395.551220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.637461 (E_RNA)
where:
Base-Base interactions energy: -1614.174
where: short stacking energy: -699.330
Base-Backbone interact. energy: -0.337
local terms energy: -784.126946
where:
bonds (distance) C4'-P energy: -153.222
bonds (distance) P-C4' energy: -142.984
flat angles C4'-P-C4' energy: -180.024
flat angles P-C4'-P energy: -116.749
tors. eta vs tors. theta energy: -191.148
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2458.768484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.768484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.324710 (E_RNA)
where:
Base-Base interactions energy: -1675.814
where: short stacking energy: -694.154
Base-Backbone interact. energy: -3.742
local terms energy: -781.768304
where:
bonds (distance) C4'-P energy: -143.759
bonds (distance) P-C4' energy: -138.764
flat angles C4'-P-C4' energy: -168.095
flat angles P-C4'-P energy: -120.636
tors. eta vs tors. theta energy: -210.514
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: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2202.299604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.299604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.299806 (E_RNA)
where:
Base-Base interactions energy: -1475.781
where: short stacking energy: -631.198
Base-Backbone interact. energy: -2.892
local terms energy: -725.626533
where:
bonds (distance) C4'-P energy: -135.941
bonds (distance) P-C4' energy: -145.573
flat angles C4'-P-C4' energy: -166.065
flat angles P-C4'-P energy: -105.185
tors. eta vs tors. theta energy: -172.863
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: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2077.810545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.810545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.980716 (E_RNA)
where:
Base-Base interactions energy: -1375.919
where: short stacking energy: -602.668
Base-Backbone interact. energy: -3.544
local terms energy: -702.518355
where:
bonds (distance) C4'-P energy: -135.931
bonds (distance) P-C4' energy: -137.510
flat angles C4'-P-C4' energy: -172.649
flat angles P-C4'-P energy: -88.449
tors. eta vs tors. theta energy: -167.979
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: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2019.905204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.905204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.280225 (E_RNA)
where:
Base-Base interactions energy: -1372.443
where: short stacking energy: -608.989
Base-Backbone interact. energy: 4.227
local terms energy: -653.064039
where:
bonds (distance) C4'-P energy: -123.616
bonds (distance) P-C4' energy: -125.823
flat angles C4'-P-C4' energy: -163.037
flat angles P-C4'-P energy: -84.687
tors. eta vs tors. theta energy: -155.901
Dist. restrs. and SS energy: 1.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1950.249082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.249082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.776883 (E_RNA)
where:
Base-Base interactions energy: -1326.796
where: short stacking energy: -567.798
Base-Backbone interact. energy: 1.179
local terms energy: -627.160465
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -115.238
flat angles C4'-P-C4' energy: -129.721
flat angles P-C4'-P energy: -96.604
tors. eta vs tors. theta energy: -171.228
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: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1866.133794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.133794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.722809 (E_RNA)
where:
Base-Base interactions energy: -1244.936
where: short stacking energy: -511.799
Base-Backbone interact. energy: -2.521
local terms energy: -622.265637
where:
bonds (distance) C4'-P energy: -122.634
bonds (distance) P-C4' energy: -134.804
flat angles C4'-P-C4' energy: -130.721
flat angles P-C4'-P energy: -84.454
tors. eta vs tors. theta energy: -149.654
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: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2888.569698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.569698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.211741 (E_RNA)
where:
Base-Base interactions energy: -1992.307
where: short stacking energy: -846.492
Base-Backbone interact. energy: -1.685
local terms energy: -896.219153
where:
bonds (distance) C4'-P energy: -164.787
bonds (distance) P-C4' energy: -163.372
flat angles C4'-P-C4' energy: -194.305
flat angles P-C4'-P energy: -134.085
tors. eta vs tors. theta energy: -239.671
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: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2709.603624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.603624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.308383 (E_RNA)
where:
Base-Base interactions energy: -1844.144
where: short stacking energy: -783.780
Base-Backbone interact. energy: -4.860
local terms energy: -862.305106
where:
bonds (distance) C4'-P energy: -159.146
bonds (distance) P-C4' energy: -152.239
flat angles C4'-P-C4' energy: -185.570
flat angles P-C4'-P energy: -137.851
tors. eta vs tors. theta energy: -227.500
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2622.293017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.293017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.940676 (E_RNA)
where:
Base-Base interactions energy: -1791.077
where: short stacking energy: -759.195
Base-Backbone interact. energy: -1.582
local terms energy: -831.281534
where:
bonds (distance) C4'-P energy: -143.857
bonds (distance) P-C4' energy: -170.081
flat angles C4'-P-C4' energy: -174.371
flat angles P-C4'-P energy: -117.158
tors. eta vs tors. theta energy: -225.814
Dist. restrs. and SS energy: 1.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2449.535587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.535587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.921607 (E_RNA)
where:
Base-Base interactions energy: -1690.996
where: short stacking energy: -736.738
Base-Backbone interact. energy: -1.779
local terms energy: -759.147088
where:
bonds (distance) C4'-P energy: -131.733
bonds (distance) P-C4' energy: -140.501
flat angles C4'-P-C4' energy: -174.324
flat angles P-C4'-P energy: -115.529
tors. eta vs tors. theta energy: -197.061
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2379.634171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.634171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.451045 (E_RNA)
where:
Base-Base interactions energy: -1628.102
where: short stacking energy: -666.609
Base-Backbone interact. energy: -0.511
local terms energy: -752.838508
where:
bonds (distance) C4'-P energy: -141.098
bonds (distance) P-C4' energy: -140.063
flat angles C4'-P-C4' energy: -174.460
flat angles P-C4'-P energy: -104.991
tors. eta vs tors. theta energy: -192.226
Dist. restrs. and SS energy: 1.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2170.065373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.065373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.902371 (E_RNA)
where:
Base-Base interactions energy: -1475.397
where: short stacking energy: -611.570
Base-Backbone interact. energy: -1.576
local terms energy: -693.928626
where:
bonds (distance) C4'-P energy: -132.045
bonds (distance) P-C4' energy: -147.111
flat angles C4'-P-C4' energy: -164.014
flat angles P-C4'-P energy: -85.416
tors. eta vs tors. theta energy: -165.342
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2085.689172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.689172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.778264 (E_RNA)
where:
Base-Base interactions energy: -1403.008
where: short stacking energy: -603.460
Base-Backbone interact. energy: 0.216
local terms energy: -685.985650
where:
bonds (distance) C4'-P energy: -137.147
bonds (distance) P-C4' energy: -139.230
flat angles C4'-P-C4' energy: -173.393
flat angles P-C4'-P energy: -98.712
tors. eta vs tors. theta energy: -137.503
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2010.576428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.576428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.685222 (E_RNA)
where:
Base-Base interactions energy: -1377.476
where: short stacking energy: -574.930
Base-Backbone interact. energy: 1.040
local terms energy: -637.248480
where:
bonds (distance) C4'-P energy: -141.279
bonds (distance) P-C4' energy: -115.762
flat angles C4'-P-C4' energy: -147.160
flat angles P-C4'-P energy: -75.202
tors. eta vs tors. theta energy: -157.846
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1919.602379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.602379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.357373 (E_RNA)
where:
Base-Base interactions energy: -1294.150
where: short stacking energy: -541.938
Base-Backbone interact. energy: -0.150
local terms energy: -628.057203
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -135.689
flat angles C4'-P-C4' energy: -139.712
flat angles P-C4'-P energy: -85.975
tors. eta vs tors. theta energy: -148.163
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1887.294760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.294760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.511122 (E_RNA)
where:
Base-Base interactions energy: -1296.306
where: short stacking energy: -542.814
Base-Backbone interact. energy: -0.329
local terms energy: -592.875916
where:
bonds (distance) C4'-P energy: -101.201
bonds (distance) P-C4' energy: -126.161
flat angles C4'-P-C4' energy: -141.654
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -140.319
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: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2835.924625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.924625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.764859 (E_RNA)
where:
Base-Base interactions energy: -1930.492
where: short stacking energy: -810.883
Base-Backbone interact. energy: -4.173
local terms energy: -902.099644
where:
bonds (distance) C4'-P energy: -180.394
bonds (distance) P-C4' energy: -155.910
flat angles C4'-P-C4' energy: -190.816
flat angles P-C4'-P energy: -133.246
tors. eta vs tors. theta energy: -241.733
Dist. restrs. and SS energy: 0.840 (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: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2695.561894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.561894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.884170 (E_RNA)
where:
Base-Base interactions energy: -1840.370
where: short stacking energy: -787.090
Base-Backbone interact. energy: 1.304
local terms energy: -857.818966
where:
bonds (distance) C4'-P energy: -153.293
bonds (distance) P-C4' energy: -153.922
flat angles C4'-P-C4' energy: -178.698
flat angles P-C4'-P energy: -123.632
tors. eta vs tors. theta energy: -248.273
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2634.901260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.901260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.582616 (E_RNA)
where:
Base-Base interactions energy: -1828.160
where: short stacking energy: -776.484
Base-Backbone interact. energy: 1.144
local terms energy: -809.566390
where:
bonds (distance) C4'-P energy: -162.146
bonds (distance) P-C4' energy: -148.978
flat angles C4'-P-C4' energy: -171.965
flat angles P-C4'-P energy: -106.852
tors. eta vs tors. theta energy: -219.626
Dist. restrs. and SS energy: 1.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2446.632852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.632852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.232028 (E_RNA)
where:
Base-Base interactions energy: -1663.240
where: short stacking energy: -726.842
Base-Backbone interact. energy: 8.589
local terms energy: -793.581722
where:
bonds (distance) C4'-P energy: -155.374
bonds (distance) P-C4' energy: -151.785
flat angles C4'-P-C4' energy: -171.514
flat angles P-C4'-P energy: -115.248
tors. eta vs tors. theta energy: -199.661
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: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2439.418759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.418759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.854892 (E_RNA)
where:
Base-Base interactions energy: -1666.239
where: short stacking energy: -711.351
Base-Backbone interact. energy: -4.155
local terms energy: -772.461135
where:
bonds (distance) C4'-P energy: -135.667
bonds (distance) P-C4' energy: -162.484
flat angles C4'-P-C4' energy: -170.950
flat angles P-C4'-P energy: -112.482
tors. eta vs tors. theta energy: -190.878
Dist. restrs. and SS energy: 3.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2186.632621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.632621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.560302 (E_RNA)
where:
Base-Base interactions energy: -1482.183
where: short stacking energy: -672.853
Base-Backbone interact. energy: 2.926
local terms energy: -709.303141
where:
bonds (distance) C4'-P energy: -146.672
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -166.598
flat angles P-C4'-P energy: -90.203
tors. eta vs tors. theta energy: -173.556
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: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2073.078649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.078649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.601903 (E_RNA)
where:
Base-Base interactions energy: -1412.456
where: short stacking energy: -619.744
Base-Backbone interact. energy: -3.423
local terms energy: -660.723692
where:
bonds (distance) C4'-P energy: -127.520
bonds (distance) P-C4' energy: -129.401
flat angles C4'-P-C4' energy: -142.047
flat angles P-C4'-P energy: -106.443
tors. eta vs tors. theta energy: -155.313
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: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2030.323345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.323345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.145690 (E_RNA)
where:
Base-Base interactions energy: -1395.039
where: short stacking energy: -584.083
Base-Backbone interact. energy: -0.434
local terms energy: -637.673280
where:
bonds (distance) C4'-P energy: -131.767
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -141.975
flat angles P-C4'-P energy: -84.896
tors. eta vs tors. theta energy: -149.852
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: 129
Temperature: 1.300000
Total energy: -1959.174931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.174931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.673182 (E_RNA)
where:
Base-Base interactions energy: -1337.253
where: short stacking energy: -557.999
Base-Backbone interact. energy: -2.217
local terms energy: -622.202675
where:
bonds (distance) C4'-P energy: -125.587
bonds (distance) P-C4' energy: -126.531
flat angles C4'-P-C4' energy: -143.452
flat angles P-C4'-P energy: -89.897
tors. eta vs tors. theta energy: -136.735
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: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1915.808607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.808607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.386399 (E_RNA)
where:
Base-Base interactions energy: -1287.050
where: short stacking energy: -556.204
Base-Backbone interact. energy: 0.475
local terms energy: -637.810550
where:
bonds (distance) C4'-P energy: -125.083
bonds (distance) P-C4' energy: -125.108
flat angles C4'-P-C4' energy: -138.097
flat angles P-C4'-P energy: -105.383
tors. eta vs tors. theta energy: -144.140
Dist. restrs. and SS energy: 8.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2859.318019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.318019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.507307 (E_RNA)
where:
Base-Base interactions energy: -1977.066
where: short stacking energy: -805.035
Base-Backbone interact. energy: -2.065
local terms energy: -881.375855
where:
bonds (distance) C4'-P energy: -170.644
bonds (distance) P-C4' energy: -156.386
flat angles C4'-P-C4' energy: -181.219
flat angles P-C4'-P energy: -129.139
tors. eta vs tors. theta energy: -243.988
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2689.880036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.880036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.729409 (E_RNA)
where:
Base-Base interactions energy: -1851.820
where: short stacking energy: -822.342
Base-Backbone interact. energy: -2.098
local terms energy: -837.811686
where:
bonds (distance) C4'-P energy: -156.344
bonds (distance) P-C4' energy: -145.833
flat angles C4'-P-C4' energy: -185.334
flat angles P-C4'-P energy: -111.534
tors. eta vs tors. theta energy: -238.767
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: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2596.470016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.470016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.420284 (E_RNA)
where:
Base-Base interactions energy: -1795.006
where: short stacking energy: -743.693
Base-Backbone interact. energy: 0.790
local terms energy: -804.203661
where:
bonds (distance) C4'-P energy: -157.523
bonds (distance) P-C4' energy: -162.274
flat angles C4'-P-C4' energy: -164.853
flat angles P-C4'-P energy: -102.746
tors. eta vs tors. theta energy: -216.808
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: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2422.970564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.970564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.051560 (E_RNA)
where:
Base-Base interactions energy: -1640.774
where: short stacking energy: -702.883
Base-Backbone interact. energy: -2.569
local terms energy: -782.708976
where:
bonds (distance) C4'-P energy: -160.891
bonds (distance) P-C4' energy: -148.503
flat angles C4'-P-C4' energy: -161.949
flat angles P-C4'-P energy: -103.605
tors. eta vs tors. theta energy: -207.761
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2340.401607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.401607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.466238 (E_RNA)
where:
Base-Base interactions energy: -1572.491
where: short stacking energy: -694.474
Base-Backbone interact. energy: -1.781
local terms energy: -768.194357
where:
bonds (distance) C4'-P energy: -136.666
bonds (distance) P-C4' energy: -139.413
flat angles C4'-P-C4' energy: -181.070
flat angles P-C4'-P energy: -110.099
tors. eta vs tors. theta energy: -200.946
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2122.272017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.272017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.594077 (E_RNA)
where:
Base-Base interactions energy: -1415.835
where: short stacking energy: -608.614
Base-Backbone interact. energy: -1.125
local terms energy: -708.633719
where:
bonds (distance) C4'-P energy: -148.850
bonds (distance) P-C4' energy: -149.273
flat angles C4'-P-C4' energy: -162.527
flat angles P-C4'-P energy: -103.596
tors. eta vs tors. theta energy: -144.387
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: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2058.206642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.206642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.766027 (E_RNA)
where:
Base-Base interactions energy: -1417.196
where: short stacking energy: -603.427
Base-Backbone interact. energy: 0.487
local terms energy: -643.057039
where:
bonds (distance) C4'-P energy: -122.699
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -139.600
flat angles P-C4'-P energy: -96.257
tors. eta vs tors. theta energy: -148.398
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1980.935600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.935600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.244588 (E_RNA)
where:
Base-Base interactions energy: -1350.065
where: short stacking energy: -552.764
Base-Backbone interact. energy: -5.946
local terms energy: -628.233427
where:
bonds (distance) C4'-P energy: -146.827
bonds (distance) P-C4' energy: -127.763
flat angles C4'-P-C4' energy: -140.975
flat angles P-C4'-P energy: -79.171
tors. eta vs tors. theta energy: -133.497
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: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1966.012709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.012709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.989352 (E_RNA)
where:
Base-Base interactions energy: -1314.269
where: short stacking energy: -557.030
Base-Backbone interact. energy: 2.854
local terms energy: -657.574459
where:
bonds (distance) C4'-P energy: -148.550
bonds (distance) P-C4' energy: -137.644
flat angles C4'-P-C4' energy: -134.600
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -159.385
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1875.762446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.762446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.767253 (E_RNA)
where:
Base-Base interactions energy: -1277.930
where: short stacking energy: -525.620
Base-Backbone interact. energy: -2.522
local terms energy: -599.315235
where:
bonds (distance) C4'-P energy: -123.121
bonds (distance) P-C4' energy: -127.785
flat angles C4'-P-C4' energy: -140.694
flat angles P-C4'-P energy: -75.016
tors. eta vs tors. theta energy: -132.699
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2847.253963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.253963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.429201 (E_RNA)
where:
Base-Base interactions energy: -1966.564
where: short stacking energy: -855.843
Base-Backbone interact. energy: -2.646
local terms energy: -880.220023
where:
bonds (distance) C4'-P energy: -162.289
bonds (distance) P-C4' energy: -158.927
flat angles C4'-P-C4' energy: -181.935
flat angles P-C4'-P energy: -125.500
tors. eta vs tors. theta energy: -251.569
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2668.197974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.197974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.889675 (E_RNA)
where:
Base-Base interactions energy: -1829.452
where: short stacking energy: -755.768
Base-Backbone interact. energy: -1.834
local terms energy: -839.603932
where:
bonds (distance) C4'-P energy: -159.225
bonds (distance) P-C4' energy: -166.781
flat angles C4'-P-C4' energy: -162.162
flat angles P-C4'-P energy: -120.671
tors. eta vs tors. theta energy: -230.765
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2574.967146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.967146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.539500 (E_RNA)
where:
Base-Base interactions energy: -1789.899
where: short stacking energy: -739.500
Base-Backbone interact. energy: 2.543
local terms energy: -789.183063
where:
bonds (distance) C4'-P energy: -166.192
bonds (distance) P-C4' energy: -145.937
flat angles C4'-P-C4' energy: -150.663
flat angles P-C4'-P energy: -115.868
tors. eta vs tors. theta energy: -210.523
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2498.400333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.400333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.773215 (E_RNA)
where:
Base-Base interactions energy: -1688.879
where: short stacking energy: -758.398
Base-Backbone interact. energy: 1.090
local terms energy: -813.983921
where:
bonds (distance) C4'-P energy: -163.749
bonds (distance) P-C4' energy: -147.885
flat angles C4'-P-C4' energy: -167.506
flat angles P-C4'-P energy: -121.549
tors. eta vs tors. theta energy: -213.296
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: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2327.032520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.032520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.364182 (E_RNA)
where:
Base-Base interactions energy: -1568.459
where: short stacking energy: -678.072
Base-Backbone interact. energy: -2.626
local terms energy: -757.278846
where:
bonds (distance) C4'-P energy: -147.267
bonds (distance) P-C4' energy: -154.427
flat angles C4'-P-C4' energy: -161.402
flat angles P-C4'-P energy: -108.618
tors. eta vs tors. theta energy: -185.565
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: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2206.460972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.460972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.557349 (E_RNA)
where:
Base-Base interactions energy: -1469.667
where: short stacking energy: -652.445
Base-Backbone interact. energy: -3.046
local terms energy: -735.844912
where:
bonds (distance) C4'-P energy: -155.215
bonds (distance) P-C4' energy: -149.003
flat angles C4'-P-C4' energy: -159.046
flat angles P-C4'-P energy: -96.161
tors. eta vs tors. theta energy: -176.420
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: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2202.132669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.132669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.165518 (E_RNA)
where:
Base-Base interactions energy: -1485.880
where: short stacking energy: -635.653
Base-Backbone interact. energy: -0.999
local terms energy: -717.287083
where:
bonds (distance) C4'-P energy: -147.867
bonds (distance) P-C4' energy: -146.186
flat angles C4'-P-C4' energy: -167.146
flat angles P-C4'-P energy: -79.550
tors. eta vs tors. theta energy: -176.538
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: 131
Temperature: 1.250000
Total energy: -1988.274258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.274258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.922584 (E_RNA)
where:
Base-Base interactions energy: -1340.563
where: short stacking energy: -556.017
Base-Backbone interact. energy: 1.754
local terms energy: -651.113562
where:
bonds (distance) C4'-P energy: -113.947
bonds (distance) P-C4' energy: -142.172
flat angles C4'-P-C4' energy: -150.053
flat angles P-C4'-P energy: -96.969
tors. eta vs tors. theta energy: -147.973
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: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1930.493623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.493623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.412495 (E_RNA)
where:
Base-Base interactions energy: -1287.635
where: short stacking energy: -532.706
Base-Backbone interact. energy: -2.024
local terms energy: -644.753770
where:
bonds (distance) C4'-P energy: -125.684
bonds (distance) P-C4' energy: -141.993
flat angles C4'-P-C4' energy: -151.601
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -149.416
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1833.589199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.589199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.984872 (E_RNA)
where:
Base-Base interactions energy: -1256.797
where: short stacking energy: -537.416
Base-Backbone interact. energy: 1.888
local terms energy: -586.075551
where:
bonds (distance) C4'-P energy: -135.627
bonds (distance) P-C4' energy: -129.517
flat angles C4'-P-C4' energy: -130.092
flat angles P-C4'-P energy: -84.995
tors. eta vs tors. theta energy: -105.845
Dist. restrs. and SS energy: 7.396 (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: 132
Temperature: 0.900000
Total energy: -2846.376044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.376044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.382169 (E_RNA)
where:
Base-Base interactions energy: -1962.309
where: short stacking energy: -828.122
Base-Backbone interact. energy: -5.554
local terms energy: -879.519469
where:
bonds (distance) C4'-P energy: -164.694
bonds (distance) P-C4' energy: -157.545
flat angles C4'-P-C4' energy: -180.052
flat angles P-C4'-P energy: -132.137
tors. eta vs tors. theta energy: -245.092
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: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2675.626771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.626771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.290676 (E_RNA)
where:
Base-Base interactions energy: -1824.180
where: short stacking energy: -793.452
Base-Backbone interact. energy: -2.452
local terms energy: -851.658755
where:
bonds (distance) C4'-P energy: -153.144
bonds (distance) P-C4' energy: -150.544
flat angles C4'-P-C4' energy: -174.355
flat angles P-C4'-P energy: -138.815
tors. eta vs tors. theta energy: -234.800
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: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2621.436322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.436322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.366192 (E_RNA)
where:
Base-Base interactions energy: -1787.902
where: short stacking energy: -749.563
Base-Backbone interact. energy: -2.296
local terms energy: -833.168486
where:
bonds (distance) C4'-P energy: -144.347
bonds (distance) P-C4' energy: -173.547
flat angles C4'-P-C4' energy: -179.728
flat angles P-C4'-P energy: -107.422
tors. eta vs tors. theta energy: -228.124
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: 132
Temperature: 1.050000
Total energy: -2480.856578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.856578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.687346 (E_RNA)
where:
Base-Base interactions energy: -1677.321
where: short stacking energy: -710.061
Base-Backbone interact. energy: -3.441
local terms energy: -801.925378
where:
bonds (distance) C4'-P energy: -157.408
bonds (distance) P-C4' energy: -153.608
flat angles C4'-P-C4' energy: -176.687
flat angles P-C4'-P energy: -93.022
tors. eta vs tors. theta energy: -221.201
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: 5, replica: 1
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2343.436519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.436519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.900144 (E_RNA)
where:
Base-Base interactions energy: -1606.307
where: short stacking energy: -668.616
Base-Backbone interact. energy: 1.513
local terms energy: -740.106506
where:
bonds (distance) C4'-P energy: -129.893
bonds (distance) P-C4' energy: -144.392
flat angles C4'-P-C4' energy: -157.306
flat angles P-C4'-P energy: -116.914
tors. eta vs tors. theta energy: -191.602
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: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2215.065460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.065460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.300470 (E_RNA)
where:
Base-Base interactions energy: -1519.816
where: short stacking energy: -677.956
Base-Backbone interact. energy: -1.193
local terms energy: -696.291437
where:
bonds (distance) C4'-P energy: -131.127
bonds (distance) P-C4' energy: -139.152
flat angles C4'-P-C4' energy: -141.092
flat angles P-C4'-P energy: -96.576
tors. eta vs tors. theta energy: -188.344
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2138.462905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.729156 (E_RNA)
where:
Base-Base interactions energy: -1442.819
where: short stacking energy: -596.363
Base-Backbone interact. energy: -2.435
local terms energy: -697.475879
where:
bonds (distance) C4'-P energy: -136.405
bonds (distance) P-C4' energy: -141.610
flat angles C4'-P-C4' energy: -147.678
flat angles P-C4'-P energy: -101.403
tors. eta vs tors. theta energy: -170.379
Dist. restrs. and SS energy: 4.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2012.112963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.112963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.288894 (E_RNA)
where:
Base-Base interactions energy: -1390.478
where: short stacking energy: -617.538
Base-Backbone interact. energy: 6.694
local terms energy: -630.504923
where:
bonds (distance) C4'-P energy: -118.809
bonds (distance) P-C4' energy: -117.829
flat angles C4'-P-C4' energy: -150.832
flat angles P-C4'-P energy: -85.095
tors. eta vs tors. theta energy: -157.940
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: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1934.537988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.537988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.259935 (E_RNA)
where:
Base-Base interactions energy: -1346.004
where: short stacking energy: -578.841
Base-Backbone interact. energy: 0.609
local terms energy: -596.864848
where:
bonds (distance) C4'-P energy: -118.432
bonds (distance) P-C4' energy: -132.318
flat angles C4'-P-C4' energy: -142.596
flat angles P-C4'-P energy: -62.017
tors. eta vs tors. theta energy: -141.502
Dist. restrs. and SS energy: 7.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1821.527852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.527852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.819729 (E_RNA)
where:
Base-Base interactions energy: -1256.946
where: short stacking energy: -490.934
Base-Backbone interact. energy: 4.808
local terms energy: -572.681496
where:
bonds (distance) C4'-P energy: -119.948
bonds (distance) P-C4' energy: -136.020
flat angles C4'-P-C4' energy: -133.162
flat angles P-C4'-P energy: -62.641
tors. eta vs tors. theta energy: -120.910
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: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2853.991049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.991049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.725991 (E_RNA)
where:
Base-Base interactions energy: -1971.257
where: short stacking energy: -834.852
Base-Backbone interact. energy: -3.103
local terms energy: -881.365324
where:
bonds (distance) C4'-P energy: -156.330
bonds (distance) P-C4' energy: -161.898
flat angles C4'-P-C4' energy: -183.220
flat angles P-C4'-P energy: -131.650
tors. eta vs tors. theta energy: -248.267
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: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2705.480435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.480435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.552015 (E_RNA)
where:
Base-Base interactions energy: -1880.920
where: short stacking energy: -783.376
Base-Backbone interact. energy: -1.886
local terms energy: -823.746092
where:
bonds (distance) C4'-P energy: -153.781
bonds (distance) P-C4' energy: -157.760
flat angles C4'-P-C4' energy: -176.409
flat angles P-C4'-P energy: -112.916
tors. eta vs tors. theta energy: -222.881
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: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2612.502717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.502717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.208447 (E_RNA)
where:
Base-Base interactions energy: -1797.046
where: short stacking energy: -755.848
Base-Backbone interact. energy: 3.254
local terms energy: -821.416569
where:
bonds (distance) C4'-P energy: -157.993
bonds (distance) P-C4' energy: -171.836
flat angles C4'-P-C4' energy: -164.456
flat angles P-C4'-P energy: -107.534
tors. eta vs tors. theta energy: -219.597
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2431.417624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.417624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.832643 (E_RNA)
where:
Base-Base interactions energy: -1659.229
where: short stacking energy: -754.355
Base-Backbone interact. energy: 0.873
local terms energy: -775.476479
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -154.049
flat angles C4'-P-C4' energy: -153.324
flat angles P-C4'-P energy: -106.270
tors. eta vs tors. theta energy: -213.163
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2294.664818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.664818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.890316 (E_RNA)
where:
Base-Base interactions energy: -1547.206
where: short stacking energy: -666.060
Base-Backbone interact. energy: 6.297
local terms energy: -755.982144
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -154.407
flat angles C4'-P-C4' energy: -170.233
flat angles P-C4'-P energy: -122.728
tors. eta vs tors. theta energy: -180.092
Dist. restrs. and SS energy: 2.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2203.786957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.786957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.802690 (E_RNA)
where:
Base-Base interactions energy: -1493.559
where: short stacking energy: -632.564
Base-Backbone interact. energy: -4.451
local terms energy: -707.792610
where:
bonds (distance) C4'-P energy: -133.952
bonds (distance) P-C4' energy: -139.877
flat angles C4'-P-C4' energy: -157.141
flat angles P-C4'-P energy: -104.651
tors. eta vs tors. theta energy: -172.172
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2135.541809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.541809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.811138 (E_RNA)
where:
Base-Base interactions energy: -1469.932
where: short stacking energy: -661.120
Base-Backbone interact. energy: -2.624
local terms energy: -668.255101
where:
bonds (distance) C4'-P energy: -108.950
bonds (distance) P-C4' energy: -134.856
flat angles C4'-P-C4' energy: -155.694
flat angles P-C4'-P energy: -93.771
tors. eta vs tors. theta energy: -174.985
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: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2066.928780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.134666 (E_RNA)
where:
Base-Base interactions energy: -1386.423
where: short stacking energy: -580.706
Base-Backbone interact. energy: -3.137
local terms energy: -679.574196
where:
bonds (distance) C4'-P energy: -135.359
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -164.866
flat angles P-C4'-P energy: -99.502
tors. eta vs tors. theta energy: -153.719
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1905.371231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.371231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.016362 (E_RNA)
where:
Base-Base interactions energy: -1287.291
where: short stacking energy: -516.754
Base-Backbone interact. energy: -1.597
local terms energy: -619.128791
where:
bonds (distance) C4'-P energy: -134.735
bonds (distance) P-C4' energy: -133.941
flat angles C4'-P-C4' energy: -147.774
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -133.398
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1870.544536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.544536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.460339 (E_RNA)
where:
Base-Base interactions energy: -1284.314
where: short stacking energy: -529.547
Base-Backbone interact. energy: 1.141
local terms energy: -590.287294
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -116.837
flat angles C4'-P-C4' energy: -126.521
flat angles P-C4'-P energy: -95.118
tors. eta vs tors. theta energy: -148.595
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2870.005930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.005930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.059210 (E_RNA)
where:
Base-Base interactions energy: -1977.472
where: short stacking energy: -830.130
Base-Backbone interact. energy: -0.407
local terms energy: -893.180250
where:
bonds (distance) C4'-P energy: -165.402
bonds (distance) P-C4' energy: -170.821
flat angles C4'-P-C4' energy: -186.275
flat angles P-C4'-P energy: -127.953
tors. eta vs tors. theta energy: -242.730
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: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2706.122531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.122531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.422746 (E_RNA)
where:
Base-Base interactions energy: -1891.238
where: short stacking energy: -810.912
Base-Backbone interact. energy: 3.470
local terms energy: -819.655362
where:
bonds (distance) C4'-P energy: -132.902
bonds (distance) P-C4' energy: -157.947
flat angles C4'-P-C4' energy: -183.885
flat angles P-C4'-P energy: -114.603
tors. eta vs tors. theta energy: -230.318
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2637.041253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.041253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.499048 (E_RNA)
where:
Base-Base interactions energy: -1827.265
where: short stacking energy: -782.370
Base-Backbone interact. energy: -1.935
local terms energy: -809.298831
where:
bonds (distance) C4'-P energy: -163.385
bonds (distance) P-C4' energy: -136.341
flat angles C4'-P-C4' energy: -164.649
flat angles P-C4'-P energy: -111.740
tors. eta vs tors. theta energy: -233.184
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: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2419.041620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.041620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.344389 (E_RNA)
where:
Base-Base interactions energy: -1627.964
where: short stacking energy: -693.990
Base-Backbone interact. energy: -2.836
local terms energy: -789.544653
where:
bonds (distance) C4'-P energy: -145.686
bonds (distance) P-C4' energy: -164.861
flat angles C4'-P-C4' energy: -176.521
flat angles P-C4'-P energy: -103.276
tors. eta vs tors. theta energy: -199.201
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2300.226496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.226496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.433323 (E_RNA)
where:
Base-Base interactions energy: -1538.904
where: short stacking energy: -655.100
Base-Backbone interact. energy: 2.815
local terms energy: -766.344279
where:
bonds (distance) C4'-P energy: -151.053
bonds (distance) P-C4' energy: -150.823
flat angles C4'-P-C4' energy: -169.884
flat angles P-C4'-P energy: -110.308
tors. eta vs tors. theta energy: -184.275
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2222.226233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.226233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.412550 (E_RNA)
where:
Base-Base interactions energy: -1473.375
where: short stacking energy: -637.516
Base-Backbone interact. energy: 1.831
local terms energy: -752.867722
where:
bonds (distance) C4'-P energy: -147.773
bonds (distance) P-C4' energy: -150.006
flat angles C4'-P-C4' energy: -155.747
flat angles P-C4'-P energy: -122.804
tors. eta vs tors. theta energy: -176.539
Dist. restrs. and SS energy: 2.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2176.115793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.115793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.706145 (E_RNA)
where:
Base-Base interactions energy: -1443.831
where: short stacking energy: -614.139
Base-Backbone interact. energy: -1.294
local terms energy: -733.581029
where:
bonds (distance) C4'-P energy: -140.232
bonds (distance) P-C4' energy: -153.029
flat angles C4'-P-C4' energy: -161.546
flat angles P-C4'-P energy: -99.338
tors. eta vs tors. theta energy: -179.435
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2050.132933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.132933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.505393 (E_RNA)
where:
Base-Base interactions energy: -1357.798
where: short stacking energy: -544.349
Base-Backbone interact. energy: -0.272
local terms energy: -693.435780
where:
bonds (distance) C4'-P energy: -124.102
bonds (distance) P-C4' energy: -162.170
flat angles C4'-P-C4' energy: -149.939
flat angles P-C4'-P energy: -100.167
tors. eta vs tors. theta energy: -157.058
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1962.918207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.918207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.462246 (E_RNA)
where:
Base-Base interactions energy: -1346.648
where: short stacking energy: -568.746
Base-Backbone interact. energy: 1.793
local terms energy: -620.606754
where:
bonds (distance) C4'-P energy: -118.795
bonds (distance) P-C4' energy: -146.097
flat angles C4'-P-C4' energy: -160.947
flat angles P-C4'-P energy: -50.459
tors. eta vs tors. theta energy: -144.309
Dist. restrs. and SS energy: 2.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1872.027625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.027625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.911716 (E_RNA)
where:
Base-Base interactions energy: -1258.419
where: short stacking energy: -523.878
Base-Backbone interact. energy: -1.747
local terms energy: -615.746192
where:
bonds (distance) C4'-P energy: -143.597
bonds (distance) P-C4' energy: -126.039
flat angles C4'-P-C4' energy: -128.479
flat angles P-C4'-P energy: -89.137
tors. eta vs tors. theta energy: -128.494
Dist. restrs. and SS energy: 3.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2860.439317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.439317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.801597 (E_RNA)
where:
Base-Base interactions energy: -1937.608
where: short stacking energy: -820.360
Base-Backbone interact. energy: -3.266
local terms energy: -921.927450
where:
bonds (distance) C4'-P energy: -161.671
bonds (distance) P-C4' energy: -174.085
flat angles C4'-P-C4' energy: -186.204
flat angles P-C4'-P energy: -142.944
tors. eta vs tors. theta energy: -257.024
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2654.731024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.731024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.174232 (E_RNA)
where:
Base-Base interactions energy: -1828.267
where: short stacking energy: -779.663
Base-Backbone interact. energy: 5.140
local terms energy: -833.047880
where:
bonds (distance) C4'-P energy: -161.597
bonds (distance) P-C4' energy: -151.149
flat angles C4'-P-C4' energy: -177.601
flat angles P-C4'-P energy: -125.708
tors. eta vs tors. theta energy: -216.992
Dist. restrs. and SS energy: 1.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2565.650625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.650625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.563543 (E_RNA)
where:
Base-Base interactions energy: -1745.905
where: short stacking energy: -767.930
Base-Backbone interact. energy: 0.264
local terms energy: -821.922849
where:
bonds (distance) C4'-P energy: -154.575
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -192.648
flat angles P-C4'-P energy: -109.622
tors. eta vs tors. theta energy: -221.887
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2430.727091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.727091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.532464 (E_RNA)
where:
Base-Base interactions energy: -1623.487
where: short stacking energy: -701.035
Base-Backbone interact. energy: 3.212
local terms energy: -812.257934
where:
bonds (distance) C4'-P energy: -143.128
bonds (distance) P-C4' energy: -160.845
flat angles C4'-P-C4' energy: -179.119
flat angles P-C4'-P energy: -127.960
tors. eta vs tors. theta energy: -201.206
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: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2330.104300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.104300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.551202 (E_RNA)
where:
Base-Base interactions energy: -1598.837
where: short stacking energy: -713.253
Base-Backbone interact. energy: 5.917
local terms energy: -738.631516
where:
bonds (distance) C4'-P energy: -130.631
bonds (distance) P-C4' energy: -157.399
flat angles C4'-P-C4' energy: -150.656
flat angles P-C4'-P energy: -109.089
tors. eta vs tors. theta energy: -190.857
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: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2271.842281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.842281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.257992 (E_RNA)
where:
Base-Base interactions energy: -1544.124
where: short stacking energy: -672.494
Base-Backbone interact. energy: -3.775
local terms energy: -728.358800
where:
bonds (distance) C4'-P energy: -146.463
bonds (distance) P-C4' energy: -135.191
flat angles C4'-P-C4' energy: -160.499
flat angles P-C4'-P energy: -94.001
tors. eta vs tors. theta energy: -192.206
Dist. restrs. and SS energy: 4.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2093.534796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.534796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.396074 (E_RNA)
where:
Base-Base interactions energy: -1429.211
where: short stacking energy: -601.142
Base-Backbone interact. energy: -2.099
local terms energy: -665.085670
where:
bonds (distance) C4'-P energy: -132.537
bonds (distance) P-C4' energy: -141.535
flat angles C4'-P-C4' energy: -138.632
flat angles P-C4'-P energy: -85.793
tors. eta vs tors. theta energy: -166.590
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2008.594050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.594050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.892587 (E_RNA)
where:
Base-Base interactions energy: -1367.623
where: short stacking energy: -598.564
Base-Backbone interact. energy: 3.253
local terms energy: -649.522456
where:
bonds (distance) C4'-P energy: -130.286
bonds (distance) P-C4' energy: -112.738
flat angles C4'-P-C4' energy: -155.526
flat angles P-C4'-P energy: -73.717
tors. eta vs tors. theta energy: -177.255
Dist. restrs. and SS energy: 5.299 (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: 135
Temperature: 1.300000
Total energy: -1948.003444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.003444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.494536 (E_RNA)
where:
Base-Base interactions energy: -1315.343
where: short stacking energy: -538.311
Base-Backbone interact. energy: -0.427
local terms energy: -633.724323
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -130.088
flat angles C4'-P-C4' energy: -140.979
flat angles P-C4'-P energy: -100.744
tors. eta vs tors. theta energy: -141.422
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: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1861.990858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.611891 (E_RNA)
where:
Base-Base interactions energy: -1246.882
where: short stacking energy: -511.251
Base-Backbone interact. energy: -1.959
local terms energy: -616.770482
where:
bonds (distance) C4'-P energy: -129.772
bonds (distance) P-C4' energy: -124.249
flat angles C4'-P-C4' energy: -136.990
flat angles P-C4'-P energy: -101.062
tors. eta vs tors. theta energy: -124.698
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: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2890.789471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.789471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.226263 (E_RNA)
where:
Base-Base interactions energy: -1960.966
where: short stacking energy: -846.522
Base-Backbone interact. energy: -2.658
local terms energy: -928.601991
where:
bonds (distance) C4'-P energy: -171.978
bonds (distance) P-C4' energy: -171.559
flat angles C4'-P-C4' energy: -195.089
flat angles P-C4'-P energy: -130.238
tors. eta vs tors. theta energy: -259.739
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: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2707.498598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.498598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.675567 (E_RNA)
where:
Base-Base interactions energy: -1858.251
where: short stacking energy: -795.400
Base-Backbone interact. energy: -0.376
local terms energy: -850.049353
where:
bonds (distance) C4'-P energy: -165.537
bonds (distance) P-C4' energy: -158.014
flat angles C4'-P-C4' energy: -191.001
flat angles P-C4'-P energy: -118.280
tors. eta vs tors. theta energy: -217.218
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: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2613.814600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.814600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.592341 (E_RNA)
where:
Base-Base interactions energy: -1781.081
where: short stacking energy: -738.840
Base-Backbone interact. energy: 0.281
local terms energy: -834.792848
where:
bonds (distance) C4'-P energy: -154.465
bonds (distance) P-C4' energy: -153.621
flat angles C4'-P-C4' energy: -173.284
flat angles P-C4'-P energy: -127.602
tors. eta vs tors. theta energy: -225.822
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2421.071012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.071012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.207192 (E_RNA)
where:
Base-Base interactions energy: -1675.019
where: short stacking energy: -746.536
Base-Backbone interact. energy: -4.170
local terms energy: -744.017440
where:
bonds (distance) C4'-P energy: -124.594
bonds (distance) P-C4' energy: -141.128
flat angles C4'-P-C4' energy: -157.082
flat angles P-C4'-P energy: -104.275
tors. eta vs tors. theta energy: -216.938
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: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2357.074128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.074128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.047452 (E_RNA)
where:
Base-Base interactions energy: -1600.224
where: short stacking energy: -686.608
Base-Backbone interact. energy: -5.652
local terms energy: -754.171363
where:
bonds (distance) C4'-P energy: -134.673
bonds (distance) P-C4' energy: -145.970
flat angles C4'-P-C4' energy: -151.208
flat angles P-C4'-P energy: -117.347
tors. eta vs tors. theta energy: -204.973
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: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2235.764707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.764707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.051599 (E_RNA)
where:
Base-Base interactions energy: -1521.773
where: short stacking energy: -636.150
Base-Backbone interact. energy: 3.007
local terms energy: -718.284983
where:
bonds (distance) C4'-P energy: -129.958
bonds (distance) P-C4' energy: -157.264
flat angles C4'-P-C4' energy: -156.559
flat angles P-C4'-P energy: -102.217
tors. eta vs tors. theta energy: -172.288
Dist. restrs. and SS energy: 1.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2126.238237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.238237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.293495 (E_RNA)
where:
Base-Base interactions energy: -1420.404
where: short stacking energy: -609.010
Base-Backbone interact. energy: 0.046
local terms energy: -706.935484
where:
bonds (distance) C4'-P energy: -128.733
bonds (distance) P-C4' energy: -153.540
flat angles C4'-P-C4' energy: -154.034
flat angles P-C4'-P energy: -109.543
tors. eta vs tors. theta energy: -161.085
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: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2025.163383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.163383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.809412 (E_RNA)
where:
Base-Base interactions energy: -1376.435
where: short stacking energy: -600.217
Base-Backbone interact. energy: 1.899
local terms energy: -653.273590
where:
bonds (distance) C4'-P energy: -130.145
bonds (distance) P-C4' energy: -129.831
flat angles C4'-P-C4' energy: -144.889
flat angles P-C4'-P energy: -82.837
tors. eta vs tors. theta energy: -165.571
Dist. restrs. and SS energy: 2.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1912.625920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.625920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.411257 (E_RNA)
where:
Base-Base interactions energy: -1280.570
where: short stacking energy: -529.282
Base-Backbone interact. energy: -2.007
local terms energy: -633.834936
where:
bonds (distance) C4'-P energy: -125.673
bonds (distance) P-C4' energy: -141.046
flat angles C4'-P-C4' energy: -136.838
flat angles P-C4'-P energy: -113.735
tors. eta vs tors. theta energy: -116.541
Dist. restrs. and SS energy: 3.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1884.264525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.264525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.272957 (E_RNA)
where:
Base-Base interactions energy: -1296.999
where: short stacking energy: -554.965
Base-Backbone interact. energy: 0.042
local terms energy: -589.316280
where:
bonds (distance) C4'-P energy: -116.181
bonds (distance) P-C4' energy: -117.389
flat angles C4'-P-C4' energy: -141.734
flat angles P-C4'-P energy: -83.850
tors. eta vs tors. theta energy: -130.163
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: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2822.541849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.541849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.965133 (E_RNA)
where:
Base-Base interactions energy: -1951.867
where: short stacking energy: -831.799
Base-Backbone interact. energy: 2.057
local terms energy: -875.154671
where:
bonds (distance) C4'-P energy: -156.051
bonds (distance) P-C4' energy: -168.077
flat angles C4'-P-C4' energy: -175.612
flat angles P-C4'-P energy: -131.352
tors. eta vs tors. theta energy: -244.062
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: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2662.926916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.864789 (E_RNA)
where:
Base-Base interactions energy: -1822.797
where: short stacking energy: -796.592
Base-Backbone interact. energy: 2.704
local terms energy: -844.771969
where:
bonds (distance) C4'-P energy: -166.568
bonds (distance) P-C4' energy: -165.283
flat angles C4'-P-C4' energy: -166.844
flat angles P-C4'-P energy: -114.608
tors. eta vs tors. theta energy: -231.469
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: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2615.532368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.532368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.204062 (E_RNA)
where:
Base-Base interactions energy: -1788.273
where: short stacking energy: -736.076
Base-Backbone interact. energy: 2.606
local terms energy: -833.537232
where:
bonds (distance) C4'-P energy: -152.933
bonds (distance) P-C4' energy: -157.853
flat angles C4'-P-C4' energy: -188.050
flat angles P-C4'-P energy: -108.563
tors. eta vs tors. theta energy: -226.138
Dist. restrs. and SS energy: 3.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2445.805073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.805073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.858041 (E_RNA)
where:
Base-Base interactions energy: -1662.216
where: short stacking energy: -711.994
Base-Backbone interact. energy: -1.121
local terms energy: -784.521432
where:
bonds (distance) C4'-P energy: -150.420
bonds (distance) P-C4' energy: -142.992
flat angles C4'-P-C4' energy: -177.756
flat angles P-C4'-P energy: -114.950
tors. eta vs tors. theta energy: -198.404
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2234.813299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.813299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.476464 (E_RNA)
where:
Base-Base interactions energy: -1497.375
where: short stacking energy: -650.302
Base-Backbone interact. energy: 7.612
local terms energy: -747.713957
where:
bonds (distance) C4'-P energy: -141.310
bonds (distance) P-C4' energy: -145.989
flat angles C4'-P-C4' energy: -167.535
flat angles P-C4'-P energy: -108.269
tors. eta vs tors. theta energy: -184.610
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2211.087186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.087186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.739468 (E_RNA)
where:
Base-Base interactions energy: -1503.943
where: short stacking energy: -644.702
Base-Backbone interact. energy: -3.238
local terms energy: -705.558183
where:
bonds (distance) C4'-P energy: -138.893
bonds (distance) P-C4' energy: -147.789
flat angles C4'-P-C4' energy: -149.925
flat angles P-C4'-P energy: -102.821
tors. eta vs tors. theta energy: -166.130
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: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2105.047526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.047526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.829462 (E_RNA)
where:
Base-Base interactions energy: -1427.821
where: short stacking energy: -589.211
Base-Backbone interact. energy: -3.094
local terms energy: -676.914403
where:
bonds (distance) C4'-P energy: -146.840
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -148.595
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -152.471
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2095.665360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.665360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.307079 (E_RNA)
where:
Base-Base interactions energy: -1426.499
where: short stacking energy: -588.758
Base-Backbone interact. energy: 1.018
local terms energy: -673.826700
where:
bonds (distance) C4'-P energy: -137.138
bonds (distance) P-C4' energy: -149.378
flat angles C4'-P-C4' energy: -147.077
flat angles P-C4'-P energy: -88.219
tors. eta vs tors. theta energy: -152.015
Dist. restrs. and SS energy: 3.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1953.658980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.658980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.387793 (E_RNA)
where:
Base-Base interactions energy: -1322.731
where: short stacking energy: -559.814
Base-Backbone interact. energy: -0.277
local terms energy: -634.379644
where:
bonds (distance) C4'-P energy: -129.629
bonds (distance) P-C4' energy: -129.531
flat angles C4'-P-C4' energy: -139.984
flat angles P-C4'-P energy: -87.336
tors. eta vs tors. theta energy: -147.900
Dist. restrs. and SS energy: 3.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1845.147140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.147140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.975806 (E_RNA)
where:
Base-Base interactions energy: -1209.480
where: short stacking energy: -504.733
Base-Backbone interact. energy: 3.437
local terms energy: -647.932830
where:
bonds (distance) C4'-P energy: -124.794
bonds (distance) P-C4' energy: -144.298
flat angles C4'-P-C4' energy: -151.743
flat angles P-C4'-P energy: -98.834
tors. eta vs tors. theta energy: -128.264
Dist. restrs. and SS energy: 8.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2820.005479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.005479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.661750 (E_RNA)
where:
Base-Base interactions energy: -1957.116
where: short stacking energy: -819.745
Base-Backbone interact. energy: 0.769
local terms energy: -866.315260
where:
bonds (distance) C4'-P energy: -152.849
bonds (distance) P-C4' energy: -165.600
flat angles C4'-P-C4' energy: -188.329
flat angles P-C4'-P energy: -120.808
tors. eta vs tors. theta energy: -238.730
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: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2632.801683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.801683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.180969 (E_RNA)
where:
Base-Base interactions energy: -1800.611
where: short stacking energy: -762.656
Base-Backbone interact. energy: -4.278
local terms energy: -829.291739
where:
bonds (distance) C4'-P energy: -153.954
bonds (distance) P-C4' energy: -158.460
flat angles C4'-P-C4' energy: -193.653
flat angles P-C4'-P energy: -107.399
tors. eta vs tors. theta energy: -215.824
Dist. restrs. and SS energy: 1.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2590.075021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.075021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.102665 (E_RNA)
where:
Base-Base interactions energy: -1771.103
where: short stacking energy: -757.175
Base-Backbone interact. energy: -2.285
local terms energy: -818.714973
where:
bonds (distance) C4'-P energy: -142.055
bonds (distance) P-C4' energy: -149.057
flat angles C4'-P-C4' energy: -186.885
flat angles P-C4'-P energy: -109.628
tors. eta vs tors. theta energy: -231.090
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2459.524396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.524396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.444582 (E_RNA)
where:
Base-Base interactions energy: -1655.137
where: short stacking energy: -699.367
Base-Backbone interact. energy: -4.683
local terms energy: -800.624988
where:
bonds (distance) C4'-P energy: -140.068
bonds (distance) P-C4' energy: -163.655
flat angles C4'-P-C4' energy: -173.598
flat angles P-C4'-P energy: -121.382
tors. eta vs tors. theta energy: -201.922
Dist. restrs. and SS energy: 0.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2294.121114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.121114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.830480 (E_RNA)
where:
Base-Base interactions energy: -1545.497
where: short stacking energy: -678.311
Base-Backbone interact. energy: -1.125
local terms energy: -750.207984
where:
bonds (distance) C4'-P energy: -154.681
bonds (distance) P-C4' energy: -150.330
flat angles C4'-P-C4' energy: -155.465
flat angles P-C4'-P energy: -109.179
tors. eta vs tors. theta energy: -180.552
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2216.361697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.361697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.746665 (E_RNA)
where:
Base-Base interactions energy: -1508.165
where: short stacking energy: -615.907
Base-Backbone interact. energy: -1.634
local terms energy: -707.948237
where:
bonds (distance) C4'-P energy: -133.469
bonds (distance) P-C4' energy: -155.476
flat angles C4'-P-C4' energy: -156.980
flat angles P-C4'-P energy: -92.389
tors. eta vs tors. theta energy: -169.633
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: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2138.307047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.307047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.836524 (E_RNA)
where:
Base-Base interactions energy: -1440.639
where: short stacking energy: -633.645
Base-Backbone interact. energy: -3.693
local terms energy: -696.504437
where:
bonds (distance) C4'-P energy: -133.778
bonds (distance) P-C4' energy: -150.487
flat angles C4'-P-C4' energy: -151.508
flat angles P-C4'-P energy: -93.254
tors. eta vs tors. theta energy: -167.477
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: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2013.345357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.345357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.929094 (E_RNA)
where:
Base-Base interactions energy: -1385.971
where: short stacking energy: -569.470
Base-Backbone interact. energy: 14.007
local terms energy: -642.965784
where:
bonds (distance) C4'-P energy: -116.394
bonds (distance) P-C4' energy: -141.612
flat angles C4'-P-C4' energy: -144.512
flat angles P-C4'-P energy: -96.394
tors. eta vs tors. theta energy: -144.055
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: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1897.152255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.152255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.424395 (E_RNA)
where:
Base-Base interactions energy: -1302.188
where: short stacking energy: -534.445
Base-Backbone interact. energy: -2.418
local terms energy: -596.818431
where:
bonds (distance) C4'-P energy: -113.159
bonds (distance) P-C4' energy: -138.752
flat angles C4'-P-C4' energy: -130.352
flat angles P-C4'-P energy: -84.846
tors. eta vs tors. theta energy: -129.709
Dist. restrs. and SS energy: 4.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1869.015813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.015813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.102150 (E_RNA)
where:
Base-Base interactions energy: -1296.190
where: short stacking energy: -515.450
Base-Backbone interact. energy: 1.929
local terms energy: -576.840488
where:
bonds (distance) C4'-P energy: -117.469
bonds (distance) P-C4' energy: -137.839
flat angles C4'-P-C4' energy: -115.361
flat angles P-C4'-P energy: -81.724
tors. eta vs tors. theta energy: -124.447
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2869.337148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.337148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.013324 (E_RNA)
where:
Base-Base interactions energy: -1958.235
where: short stacking energy: -821.756
Base-Backbone interact. energy: -1.805
local terms energy: -911.973071
where:
bonds (distance) C4'-P energy: -166.969
bonds (distance) P-C4' energy: -179.666
flat angles C4'-P-C4' energy: -192.348
flat angles P-C4'-P energy: -123.399
tors. eta vs tors. theta energy: -249.591
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: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2712.012567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.012567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.989030 (E_RNA)
where:
Base-Base interactions energy: -1863.642
where: short stacking energy: -808.306
Base-Backbone interact. energy: -2.902
local terms energy: -847.445913
where:
bonds (distance) C4'-P energy: -142.960
bonds (distance) P-C4' energy: -152.483
flat angles C4'-P-C4' energy: -189.920
flat angles P-C4'-P energy: -123.241
tors. eta vs tors. theta energy: -238.842
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2582.387993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.387993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.457396 (E_RNA)
where:
Base-Base interactions energy: -1776.700
where: short stacking energy: -756.426
Base-Backbone interact. energy: -2.141
local terms energy: -806.616655
where:
bonds (distance) C4'-P energy: -143.611
bonds (distance) P-C4' energy: -151.607
flat angles C4'-P-C4' energy: -176.896
flat angles P-C4'-P energy: -109.598
tors. eta vs tors. theta energy: -224.905
Dist. restrs. and SS energy: 3.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2485.092507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.092507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.626416 (E_RNA)
where:
Base-Base interactions energy: -1692.847
where: short stacking energy: -743.100
Base-Backbone interact. energy: 1.371
local terms energy: -795.150478
where:
bonds (distance) C4'-P energy: -133.373
bonds (distance) P-C4' energy: -154.624
flat angles C4'-P-C4' energy: -179.049
flat angles P-C4'-P energy: -111.889
tors. eta vs tors. theta energy: -216.216
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: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2332.164157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.164157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.739916 (E_RNA)
where:
Base-Base interactions energy: -1577.300
where: short stacking energy: -701.282
Base-Backbone interact. energy: 4.727
local terms energy: -763.166962
where:
bonds (distance) C4'-P energy: -154.835
bonds (distance) P-C4' energy: -149.236
flat angles C4'-P-C4' energy: -164.998
flat angles P-C4'-P energy: -101.601
tors. eta vs tors. theta energy: -192.497
Dist. restrs. and SS energy: 3.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2246.209688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.209688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.267445 (E_RNA)
where:
Base-Base interactions energy: -1501.723
where: short stacking energy: -629.147
Base-Backbone interact. energy: 2.206
local terms energy: -749.750515
where:
bonds (distance) C4'-P energy: -149.334
bonds (distance) P-C4' energy: -132.947
flat angles C4'-P-C4' energy: -167.740
flat angles P-C4'-P energy: -120.419
tors. eta vs tors. theta energy: -179.310
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: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2079.654102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.654102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.828046 (E_RNA)
where:
Base-Base interactions energy: -1419.828
where: short stacking energy: -599.513
Base-Backbone interact. energy: 0.756
local terms energy: -662.756628
where:
bonds (distance) C4'-P energy: -142.305
bonds (distance) P-C4' energy: -128.795
flat angles C4'-P-C4' energy: -160.375
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -155.710
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1989.441699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.441699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.922856 (E_RNA)
where:
Base-Base interactions energy: -1359.560
where: short stacking energy: -599.859
Base-Backbone interact. energy: -0.769
local terms energy: -631.593028
where:
bonds (distance) C4'-P energy: -113.846
bonds (distance) P-C4' energy: -135.330
flat angles C4'-P-C4' energy: -152.594
flat angles P-C4'-P energy: -76.436
tors. eta vs tors. theta energy: -153.387
Dist. restrs. and SS energy: 2.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1937.224087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.293907 (E_RNA)
where:
Base-Base interactions energy: -1296.502
where: short stacking energy: -528.829
Base-Backbone interact. energy: 1.901
local terms energy: -644.692896
where:
bonds (distance) C4'-P energy: -136.246
bonds (distance) P-C4' energy: -144.800
flat angles C4'-P-C4' energy: -147.068
flat angles P-C4'-P energy: -82.447
tors. eta vs tors. theta energy: -134.132
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1855.502091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.502091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.451983 (E_RNA)
where:
Base-Base interactions energy: -1264.236
where: short stacking energy: -525.528
Base-Backbone interact. energy: -4.168
local terms energy: -592.048164
where:
bonds (distance) C4'-P energy: -106.115
bonds (distance) P-C4' energy: -129.602
flat angles C4'-P-C4' energy: -143.775
flat angles P-C4'-P energy: -71.805
tors. eta vs tors. theta energy: -140.753
Dist. restrs. and SS energy: 4.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2891.975145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.975145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.351377 (E_RNA)
where:
Base-Base interactions energy: -2004.800
where: short stacking energy: -841.995
Base-Backbone interact. energy: -3.409
local terms energy: -886.142466
where:
bonds (distance) C4'-P energy: -153.899
bonds (distance) P-C4' energy: -181.894
flat angles C4'-P-C4' energy: -172.770
flat angles P-C4'-P energy: -136.976
tors. eta vs tors. theta energy: -240.603
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: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2711.491006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.491006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.941681 (E_RNA)
where:
Base-Base interactions energy: -1874.130
where: short stacking energy: -778.063
Base-Backbone interact. energy: -4.267
local terms energy: -834.544564
where:
bonds (distance) C4'-P energy: -152.008
bonds (distance) P-C4' energy: -158.020
flat angles C4'-P-C4' energy: -180.295
flat angles P-C4'-P energy: -126.326
tors. eta vs tors. theta energy: -217.896
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: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2586.845063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.845063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.252976 (E_RNA)
where:
Base-Base interactions energy: -1777.723
where: short stacking energy: -764.328
Base-Backbone interact. energy: -2.990
local terms energy: -807.540229
where:
bonds (distance) C4'-P energy: -139.620
bonds (distance) P-C4' energy: -142.785
flat angles C4'-P-C4' energy: -177.781
flat angles P-C4'-P energy: -129.593
tors. eta vs tors. theta energy: -217.761
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: 140
Temperature: 1.050000
Total energy: -2466.628264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.628264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.199693 (E_RNA)
where:
Base-Base interactions energy: -1670.477
where: short stacking energy: -713.994
Base-Backbone interact. energy: -2.960
local terms energy: -797.761761
where:
bonds (distance) C4'-P energy: -153.974
bonds (distance) P-C4' energy: -146.280
flat angles C4'-P-C4' energy: -184.343
flat angles P-C4'-P energy: -105.051
tors. eta vs tors. theta energy: -208.114
Dist. restrs. and SS energy: 4.571 (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: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2265.559576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.559576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.693291 (E_RNA)
where:
Base-Base interactions energy: -1539.196
where: short stacking energy: -665.865
Base-Backbone interact. energy: -3.279
local terms energy: -726.218318
where:
bonds (distance) C4'-P energy: -111.392
bonds (distance) P-C4' energy: -147.224
flat angles C4'-P-C4' energy: -169.771
flat angles P-C4'-P energy: -123.721
tors. eta vs tors. theta energy: -174.109
Dist. restrs. and SS energy: 3.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2151.322563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.322563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.800557 (E_RNA)
where:
Base-Base interactions energy: -1464.089
where: short stacking energy: -637.069
Base-Backbone interact. energy: -1.245
local terms energy: -688.466942
where:
bonds (distance) C4'-P energy: -124.513
bonds (distance) P-C4' energy: -144.714
flat angles C4'-P-C4' energy: -150.391
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -174.290
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2101.754127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.754127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.481000 (E_RNA)
where:
Base-Base interactions energy: -1428.192
where: short stacking energy: -583.419
Base-Backbone interact. energy: -2.313
local terms energy: -673.976429
where:
bonds (distance) C4'-P energy: -130.135
bonds (distance) P-C4' energy: -138.688
flat angles C4'-P-C4' energy: -152.691
flat angles P-C4'-P energy: -91.642
tors. eta vs tors. theta energy: -160.821
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: 8, replica: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2012.346958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.346958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.194112 (E_RNA)
where:
Base-Base interactions energy: -1326.222
where: short stacking energy: -595.839
Base-Backbone interact. energy: 1.053
local terms energy: -690.025397
where:
bonds (distance) C4'-P energy: -128.442
bonds (distance) P-C4' energy: -141.612
flat angles C4'-P-C4' energy: -166.470
flat angles P-C4'-P energy: -89.109
tors. eta vs tors. theta energy: -164.391
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: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1899.941127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.941127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.147707 (E_RNA)
where:
Base-Base interactions energy: -1290.226
where: short stacking energy: -515.569
Base-Backbone interact. energy: -2.323
local terms energy: -609.598653
where:
bonds (distance) C4'-P energy: -116.482
bonds (distance) P-C4' energy: -141.843
flat angles C4'-P-C4' energy: -134.451
flat angles P-C4'-P energy: -91.428
tors. eta vs tors. theta energy: -125.395
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: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1855.978234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.978234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.459266 (E_RNA)
where:
Base-Base interactions energy: -1244.584
where: short stacking energy: -511.616
Base-Backbone interact. energy: -2.252
local terms energy: -613.623774
where:
bonds (distance) C4'-P energy: -123.966
bonds (distance) P-C4' energy: -125.277
flat angles C4'-P-C4' energy: -134.354
flat angles P-C4'-P energy: -97.884
tors. eta vs tors. theta energy: -132.143
Dist. restrs. and SS energy: 4.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2807.098317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.098317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.304159 (E_RNA)
where:
Base-Base interactions energy: -1930.192
where: short stacking energy: -811.845
Base-Backbone interact. energy: 4.643
local terms energy: -883.755544
where:
bonds (distance) C4'-P energy: -162.002
bonds (distance) P-C4' energy: -160.419
flat angles C4'-P-C4' energy: -190.634
flat angles P-C4'-P energy: -121.631
tors. eta vs tors. theta energy: -249.070
Dist. restrs. and SS energy: 2.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2733.135280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.135280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.848807 (E_RNA)
where:
Base-Base interactions energy: -1894.357
where: short stacking energy: -804.044
Base-Backbone interact. energy: -2.792
local terms energy: -837.700497
where:
bonds (distance) C4'-P energy: -143.419
bonds (distance) P-C4' energy: -168.630
flat angles C4'-P-C4' energy: -165.429
flat angles P-C4'-P energy: -137.703
tors. eta vs tors. theta energy: -222.519
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: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2566.165190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.165190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.422416 (E_RNA)
where:
Base-Base interactions energy: -1701.871
where: short stacking energy: -758.223
Base-Backbone interact. energy: 1.445
local terms energy: -866.996241
where:
bonds (distance) C4'-P energy: -177.449
bonds (distance) P-C4' energy: -165.220
flat angles C4'-P-C4' energy: -180.251
flat angles P-C4'-P energy: -130.704
tors. eta vs tors. theta energy: -213.373
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2478.849671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.849671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.056705 (E_RNA)
where:
Base-Base interactions energy: -1705.455
where: short stacking energy: -711.922
Base-Backbone interact. energy: -3.103
local terms energy: -771.498512
where:
bonds (distance) C4'-P energy: -160.345
bonds (distance) P-C4' energy: -145.393
flat angles C4'-P-C4' energy: -152.396
flat angles P-C4'-P energy: -98.468
tors. eta vs tors. theta energy: -214.897
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: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2301.410552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.410552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.443275 (E_RNA)
where:
Base-Base interactions energy: -1557.706
where: short stacking energy: -697.470
Base-Backbone interact. energy: -2.892
local terms energy: -742.844732
where:
bonds (distance) C4'-P energy: -128.441
bonds (distance) P-C4' energy: -134.636
flat angles C4'-P-C4' energy: -175.863
flat angles P-C4'-P energy: -109.630
tors. eta vs tors. theta energy: -194.274
Dist. restrs. and SS energy: 2.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2172.745935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.745935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.762794 (E_RNA)
where:
Base-Base interactions energy: -1474.900
where: short stacking energy: -634.648
Base-Backbone interact. energy: 1.128
local terms energy: -699.991118
where:
bonds (distance) C4'-P energy: -140.292
bonds (distance) P-C4' energy: -139.333
flat angles C4'-P-C4' energy: -150.527
flat angles P-C4'-P energy: -92.860
tors. eta vs tors. theta energy: -176.980
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2093.924059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.924059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.084001 (E_RNA)
where:
Base-Base interactions energy: -1408.299
where: short stacking energy: -608.631
Base-Backbone interact. energy: -1.766
local terms energy: -686.019101
where:
bonds (distance) C4'-P energy: -130.413
bonds (distance) P-C4' energy: -145.786
flat angles C4'-P-C4' energy: -152.770
flat angles P-C4'-P energy: -92.105
tors. eta vs tors. theta energy: -164.945
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: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2033.432024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.432024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.442985 (E_RNA)
where:
Base-Base interactions energy: -1347.678
where: short stacking energy: -585.013
Base-Backbone interact. energy: -2.215
local terms energy: -685.549820
where:
bonds (distance) C4'-P energy: -137.979
bonds (distance) P-C4' energy: -152.216
flat angles C4'-P-C4' energy: -147.171
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -151.161
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: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1952.330971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.330971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.098100 (E_RNA)
where:
Base-Base interactions energy: -1319.406
where: short stacking energy: -569.371
Base-Backbone interact. energy: 2.102
local terms energy: -637.794043
where:
bonds (distance) C4'-P energy: -125.716
bonds (distance) P-C4' energy: -126.663
flat angles C4'-P-C4' energy: -151.577
flat angles P-C4'-P energy: -82.700
tors. eta vs tors. theta energy: -151.139
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1826.064150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.064150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.751928 (E_RNA)
where:
Base-Base interactions energy: -1228.588
where: short stacking energy: -509.601
Base-Backbone interact. energy: -2.188
local terms energy: -597.975947
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -125.727
flat angles C4'-P-C4' energy: -131.621
flat angles P-C4'-P energy: -87.328
tors. eta vs tors. theta energy: -137.613
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: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2850.673173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.673173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.620287 (E_RNA)
where:
Base-Base interactions energy: -1958.872
where: short stacking energy: -821.875
Base-Backbone interact. energy: -3.502
local terms energy: -891.246247
where:
bonds (distance) C4'-P energy: -177.153
bonds (distance) P-C4' energy: -161.048
flat angles C4'-P-C4' energy: -185.816
flat angles P-C4'-P energy: -124.376
tors. eta vs tors. theta energy: -242.852
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2708.597084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.597084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.019102 (E_RNA)
where:
Base-Base interactions energy: -1891.847
where: short stacking energy: -800.886
Base-Backbone interact. energy: -2.211
local terms energy: -815.961110
where:
bonds (distance) C4'-P energy: -158.174
bonds (distance) P-C4' energy: -148.278
flat angles C4'-P-C4' energy: -171.787
flat angles P-C4'-P energy: -115.240
tors. eta vs tors. theta energy: -222.483
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2593.324253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.324253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.170810 (E_RNA)
where:
Base-Base interactions energy: -1760.810
where: short stacking energy: -772.533
Base-Backbone interact. energy: -0.557
local terms energy: -833.804603
where:
bonds (distance) C4'-P energy: -142.517
bonds (distance) P-C4' energy: -167.128
flat angles C4'-P-C4' energy: -175.694
flat angles P-C4'-P energy: -123.687
tors. eta vs tors. theta energy: -224.779
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2457.763716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.763716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.633378 (E_RNA)
where:
Base-Base interactions energy: -1683.078
where: short stacking energy: -723.124
Base-Backbone interact. energy: -1.453
local terms energy: -775.101972
where:
bonds (distance) C4'-P energy: -138.632
bonds (distance) P-C4' energy: -146.154
flat angles C4'-P-C4' energy: -170.890
flat angles P-C4'-P energy: -110.826
tors. eta vs tors. theta energy: -208.601
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: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2273.461929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.461929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.749126 (E_RNA)
where:
Base-Base interactions energy: -1516.315
where: short stacking energy: -659.848
Base-Backbone interact. energy: -4.565
local terms energy: -754.869854
where:
bonds (distance) C4'-P energy: -142.469
bonds (distance) P-C4' energy: -140.727
flat angles C4'-P-C4' energy: -180.309
flat angles P-C4'-P energy: -100.239
tors. eta vs tors. theta energy: -191.126
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2148.729959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.729959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.977607 (E_RNA)
where:
Base-Base interactions energy: -1474.083
where: short stacking energy: -630.677
Base-Backbone interact. energy: 0.793
local terms energy: -676.688487
where:
bonds (distance) C4'-P energy: -137.554
bonds (distance) P-C4' energy: -144.842
flat angles C4'-P-C4' energy: -135.164
flat angles P-C4'-P energy: -97.552
tors. eta vs tors. theta energy: -161.577
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2053.102345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.102345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.871824 (E_RNA)
where:
Base-Base interactions energy: -1374.366
where: short stacking energy: -569.587
Base-Backbone interact. energy: 0.118
local terms energy: -680.623793
where:
bonds (distance) C4'-P energy: -155.273
bonds (distance) P-C4' energy: -117.521
flat angles C4'-P-C4' energy: -166.830
flat angles P-C4'-P energy: -73.993
tors. eta vs tors. theta energy: -167.006
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2012.002159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.002159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.168141 (E_RNA)
where:
Base-Base interactions energy: -1352.263
where: short stacking energy: -587.244
Base-Backbone interact. energy: 2.197
local terms energy: -665.102453
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -144.437
flat angles C4'-P-C4' energy: -155.896
flat angles P-C4'-P energy: -96.729
tors. eta vs tors. theta energy: -155.397
Dist. restrs. and SS energy: 3.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1921.605276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.605276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.729757 (E_RNA)
where:
Base-Base interactions energy: -1310.382
where: short stacking energy: -559.732
Base-Backbone interact. energy: -0.946
local terms energy: -613.401616
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -137.748
flat angles C4'-P-C4' energy: -131.491
flat angles P-C4'-P energy: -93.214
tors. eta vs tors. theta energy: -140.200
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: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1877.077870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.077870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.826298 (E_RNA)
where:
Base-Base interactions energy: -1270.959
where: short stacking energy: -522.562
Base-Backbone interact. energy: -1.586
local terms energy: -607.280648
where:
bonds (distance) C4'-P energy: -144.535
bonds (distance) P-C4' energy: -127.997
flat angles C4'-P-C4' energy: -119.932
flat angles P-C4'-P energy: -93.951
tors. eta vs tors. theta energy: -120.867
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2839.858851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.858851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.999047 (E_RNA)
where:
Base-Base interactions energy: -1924.497
where: short stacking energy: -850.669
Base-Backbone interact. energy: -2.420
local terms energy: -916.082515
where:
bonds (distance) C4'-P energy: -158.260
bonds (distance) P-C4' energy: -169.020
flat angles C4'-P-C4' energy: -194.388
flat angles P-C4'-P energy: -123.080
tors. eta vs tors. theta energy: -271.334
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2736.218295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.218295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.343697 (E_RNA)
where:
Base-Base interactions energy: -1885.404
where: short stacking energy: -786.839
Base-Backbone interact. energy: -0.062
local terms energy: -851.877558
where:
bonds (distance) C4'-P energy: -159.995
bonds (distance) P-C4' energy: -173.454
flat angles C4'-P-C4' energy: -179.536
flat angles P-C4'-P energy: -116.911
tors. eta vs tors. theta energy: -221.981
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2576.501486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.501486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.923008 (E_RNA)
where:
Base-Base interactions energy: -1753.384
where: short stacking energy: -783.433
Base-Backbone interact. energy: -4.136
local terms energy: -822.403154
where:
bonds (distance) C4'-P energy: -149.966
bonds (distance) P-C4' energy: -144.466
flat angles C4'-P-C4' energy: -182.409
flat angles P-C4'-P energy: -124.695
tors. eta vs tors. theta energy: -220.867
Dist. restrs. and SS energy: 3.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2464.063028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.063028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.962142 (E_RNA)
where:
Base-Base interactions energy: -1665.936
where: short stacking energy: -716.121
Base-Backbone interact. energy: -0.911
local terms energy: -799.115112
where:
bonds (distance) C4'-P energy: -160.036
bonds (distance) P-C4' energy: -165.936
flat angles C4'-P-C4' energy: -170.646
flat angles P-C4'-P energy: -100.673
tors. eta vs tors. theta energy: -201.824
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: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2297.212144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.212144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.332654 (E_RNA)
where:
Base-Base interactions energy: -1555.668
where: short stacking energy: -666.761
Base-Backbone interact. energy: 1.801
local terms energy: -745.466140
where:
bonds (distance) C4'-P energy: -152.647
bonds (distance) P-C4' energy: -149.005
flat angles C4'-P-C4' energy: -151.547
flat angles P-C4'-P energy: -111.443
tors. eta vs tors. theta energy: -180.824
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: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2176.272224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.272224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.008951 (E_RNA)
where:
Base-Base interactions energy: -1452.722
where: short stacking energy: -645.406
Base-Backbone interact. energy: -1.348
local terms energy: -723.938065
where:
bonds (distance) C4'-P energy: -143.286
bonds (distance) P-C4' energy: -136.240
flat angles C4'-P-C4' energy: -158.485
flat angles P-C4'-P energy: -109.363
tors. eta vs tors. theta energy: -176.564
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: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -2071.186208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.186208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.144436 (E_RNA)
where:
Base-Base interactions energy: -1397.716
where: short stacking energy: -584.292
Base-Backbone interact. energy: -0.263
local terms energy: -675.166232
where:
bonds (distance) C4'-P energy: -138.504
bonds (distance) P-C4' energy: -138.651
flat angles C4'-P-C4' energy: -144.835
flat angles P-C4'-P energy: -101.985
tors. eta vs tors. theta energy: -151.191
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: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1965.103899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.103899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.626297 (E_RNA)
where:
Base-Base interactions energy: -1301.501
where: short stacking energy: -556.444
Base-Backbone interact. energy: -4.543
local terms energy: -661.581513
where:
bonds (distance) C4'-P energy: -147.394
bonds (distance) P-C4' energy: -135.844
flat angles C4'-P-C4' energy: -148.226
flat angles P-C4'-P energy: -86.908
tors. eta vs tors. theta energy: -143.209
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: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1936.021898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.021898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.782251 (E_RNA)
where:
Base-Base interactions energy: -1353.840
where: short stacking energy: -561.147
Base-Backbone interact. energy: 3.901
local terms energy: -589.843299
where:
bonds (distance) C4'-P energy: -98.513
bonds (distance) P-C4' energy: -136.440
flat angles C4'-P-C4' energy: -134.050
flat angles P-C4'-P energy: -82.100
tors. eta vs tors. theta energy: -138.739
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1865.830683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.830683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.973877 (E_RNA)
where:
Base-Base interactions energy: -1284.708
where: short stacking energy: -538.443
Base-Backbone interact. energy: -2.048
local terms energy: -583.218336
where:
bonds (distance) C4'-P energy: -118.337
bonds (distance) P-C4' energy: -116.127
flat angles C4'-P-C4' energy: -131.761
flat angles P-C4'-P energy: -82.620
tors. eta vs tors. theta energy: -134.373
Dist. restrs. and SS energy: 4.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2824.702573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.702573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.474635 (E_RNA)
where:
Base-Base interactions energy: -1940.969
where: short stacking energy: -831.762
Base-Backbone interact. energy: -1.228
local terms energy: -885.277423
where:
bonds (distance) C4'-P energy: -164.136
bonds (distance) P-C4' energy: -160.198
flat angles C4'-P-C4' energy: -190.865
flat angles P-C4'-P energy: -115.748
tors. eta vs tors. theta energy: -254.331
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2713.841435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.841435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.248049 (E_RNA)
where:
Base-Base interactions energy: -1910.226
where: short stacking energy: -781.542
Base-Backbone interact. energy: 4.743
local terms energy: -809.764265
where:
bonds (distance) C4'-P energy: -157.406
bonds (distance) P-C4' energy: -144.442
flat angles C4'-P-C4' energy: -166.834
flat angles P-C4'-P energy: -122.275
tors. eta vs tors. theta energy: -218.807
Dist. restrs. and SS energy: 1.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2565.730058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.730058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.902437 (E_RNA)
where:
Base-Base interactions energy: -1759.544
where: short stacking energy: -753.288
Base-Backbone interact. energy: -2.973
local terms energy: -804.385229
where:
bonds (distance) C4'-P energy: -149.530
bonds (distance) P-C4' energy: -144.381
flat angles C4'-P-C4' energy: -170.041
flat angles P-C4'-P energy: -111.510
tors. eta vs tors. theta energy: -228.923
Dist. restrs. and SS energy: 1.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2448.057298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.057298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.331075 (E_RNA)
where:
Base-Base interactions energy: -1680.566
where: short stacking energy: -693.221
Base-Backbone interact. energy: -1.489
local terms energy: -767.276776
where:
bonds (distance) C4'-P energy: -152.990
bonds (distance) P-C4' energy: -156.326
flat angles C4'-P-C4' energy: -162.113
flat angles P-C4'-P energy: -100.846
tors. eta vs tors. theta energy: -195.001
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: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2241.639782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.639782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.347932 (E_RNA)
where:
Base-Base interactions energy: -1562.191
where: short stacking energy: -641.113
Base-Backbone interact. energy: -4.992
local terms energy: -675.165041
where:
bonds (distance) C4'-P energy: -122.821
bonds (distance) P-C4' energy: -121.962
flat angles C4'-P-C4' energy: -167.421
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: -178.316
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2201.328099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.328099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.344017 (E_RNA)
where:
Base-Base interactions energy: -1484.950
where: short stacking energy: -655.828
Base-Backbone interact. energy: 1.721
local terms energy: -720.114989
where:
bonds (distance) C4'-P energy: -131.695
bonds (distance) P-C4' energy: -148.896
flat angles C4'-P-C4' energy: -162.334
flat angles P-C4'-P energy: -100.471
tors. eta vs tors. theta energy: -176.719
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2135.691052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.691052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.768296 (E_RNA)
where:
Base-Base interactions energy: -1446.919
where: short stacking energy: -611.778
Base-Backbone interact. energy: -3.177
local terms energy: -686.671996
where:
bonds (distance) C4'-P energy: -138.841
bonds (distance) P-C4' energy: -142.959
flat angles C4'-P-C4' energy: -158.661
flat angles P-C4'-P energy: -94.453
tors. eta vs tors. theta energy: -151.758
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: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1988.261386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.261386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.829458 (E_RNA)
where:
Base-Base interactions energy: -1313.721
where: short stacking energy: -582.765
Base-Backbone interact. energy: -1.527
local terms energy: -675.582021
where:
bonds (distance) C4'-P energy: -132.584
bonds (distance) P-C4' energy: -131.225
flat angles C4'-P-C4' energy: -155.392
flat angles P-C4'-P energy: -99.105
tors. eta vs tors. theta energy: -157.275
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1903.711369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.711369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.567872 (E_RNA)
where:
Base-Base interactions energy: -1284.105
where: short stacking energy: -543.515
Base-Backbone interact. energy: 1.826
local terms energy: -625.288633
where:
bonds (distance) C4'-P energy: -128.449
bonds (distance) P-C4' energy: -121.453
flat angles C4'-P-C4' energy: -146.052
flat angles P-C4'-P energy: -103.002
tors. eta vs tors. theta energy: -126.333
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: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1876.331097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.331097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.519371 (E_RNA)
where:
Base-Base interactions energy: -1291.530
where: short stacking energy: -555.921
Base-Backbone interact. energy: -0.667
local terms energy: -587.322112
where:
bonds (distance) C4'-P energy: -104.728
bonds (distance) P-C4' energy: -115.498
flat angles C4'-P-C4' energy: -146.573
flat angles P-C4'-P energy: -89.042
tors. eta vs tors. theta energy: -131.481
Dist. restrs. and SS energy: 3.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2866.238405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.238405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.108049 (E_RNA)
where:
Base-Base interactions energy: -1975.429
where: short stacking energy: -846.860
Base-Backbone interact. energy: -2.740
local terms energy: -889.939156
where:
bonds (distance) C4'-P energy: -157.279
bonds (distance) P-C4' energy: -164.757
flat angles C4'-P-C4' energy: -187.481
flat angles P-C4'-P energy: -122.540
tors. eta vs tors. theta energy: -257.882
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: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2741.198823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.198823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.828975 (E_RNA)
where:
Base-Base interactions energy: -1905.178
where: short stacking energy: -787.344
Base-Backbone interact. energy: -1.003
local terms energy: -836.647381
where:
bonds (distance) C4'-P energy: -154.566
bonds (distance) P-C4' energy: -148.515
flat angles C4'-P-C4' energy: -185.460
flat angles P-C4'-P energy: -127.240
tors. eta vs tors. theta energy: -220.866
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: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2547.005819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.005819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.907507 (E_RNA)
where:
Base-Base interactions energy: -1709.973
where: short stacking energy: -744.310
Base-Backbone interact. energy: -3.343
local terms energy: -835.591615
where:
bonds (distance) C4'-P energy: -160.978
bonds (distance) P-C4' energy: -160.449
flat angles C4'-P-C4' energy: -171.350
flat angles P-C4'-P energy: -123.642
tors. eta vs tors. theta energy: -219.172
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: 145
Temperature: 1.050000
Total energy: -2455.819715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.819715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.875656 (E_RNA)
where:
Base-Base interactions energy: -1696.094
where: short stacking energy: -693.148
Base-Backbone interact. energy: -1.211
local terms energy: -760.570656
where:
bonds (distance) C4'-P energy: -147.681
bonds (distance) P-C4' energy: -137.637
flat angles C4'-P-C4' energy: -163.017
flat angles P-C4'-P energy: -111.799
tors. eta vs tors. theta energy: -200.437
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: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2287.253892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.253892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.564953 (E_RNA)
where:
Base-Base interactions energy: -1560.894
where: short stacking energy: -656.592
Base-Backbone interact. energy: -1.690
local terms energy: -725.981283
where:
bonds (distance) C4'-P energy: -144.778
bonds (distance) P-C4' energy: -143.463
flat angles C4'-P-C4' energy: -157.393
flat angles P-C4'-P energy: -97.334
tors. eta vs tors. theta energy: -183.014
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: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2155.638552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.638552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.458681 (E_RNA)
where:
Base-Base interactions energy: -1449.348
where: short stacking energy: -648.038
Base-Backbone interact. energy: -3.809
local terms energy: -704.301378
where:
bonds (distance) C4'-P energy: -131.384
bonds (distance) P-C4' energy: -142.269
flat angles C4'-P-C4' energy: -156.332
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -165.215
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2134.871568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.871568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.750026 (E_RNA)
where:
Base-Base interactions energy: -1426.324
where: short stacking energy: -615.044
Base-Backbone interact. energy: 0.213
local terms energy: -711.638990
where:
bonds (distance) C4'-P energy: -139.071
bonds (distance) P-C4' energy: -139.381
flat angles C4'-P-C4' energy: -152.379
flat angles P-C4'-P energy: -94.280
tors. eta vs tors. theta energy: -186.527
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1965.086967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.086967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.284850 (E_RNA)
where:
Base-Base interactions energy: -1322.604
where: short stacking energy: -526.101
Base-Backbone interact. energy: -1.703
local terms energy: -643.977391
where:
bonds (distance) C4'-P energy: -118.274
bonds (distance) P-C4' energy: -137.417
flat angles C4'-P-C4' energy: -145.292
flat angles P-C4'-P energy: -100.663
tors. eta vs tors. theta energy: -142.332
Dist. restrs. and SS energy: 3.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1948.784012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.784012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.056012 (E_RNA)
where:
Base-Base interactions energy: -1328.583
where: short stacking energy: -544.620
Base-Backbone interact. energy: 5.910
local terms energy: -629.383139
where:
bonds (distance) C4'-P energy: -139.757
bonds (distance) P-C4' energy: -142.393
flat angles C4'-P-C4' energy: -119.198
flat angles P-C4'-P energy: -91.383
tors. eta vs tors. theta energy: -136.652
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: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1864.467759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.467759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.524519 (E_RNA)
where:
Base-Base interactions energy: -1251.533
where: short stacking energy: -525.839
Base-Backbone interact. energy: 0.162
local terms energy: -616.153996
where:
bonds (distance) C4'-P energy: -112.048
bonds (distance) P-C4' energy: -137.199
flat angles C4'-P-C4' energy: -138.666
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -158.396
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: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2870.077438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.077438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.775028 (E_RNA)
where:
Base-Base interactions energy: -1974.509
where: short stacking energy: -832.152
Base-Backbone interact. energy: 0.000
local terms energy: -896.265978
where:
bonds (distance) C4'-P energy: -160.223
bonds (distance) P-C4' energy: -167.952
flat angles C4'-P-C4' energy: -193.818
flat angles P-C4'-P energy: -130.415
tors. eta vs tors. theta energy: -243.858
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2776.831270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.831270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.407709 (E_RNA)
where:
Base-Base interactions energy: -1965.959
where: short stacking energy: -799.392
Base-Backbone interact. energy: -2.485
local terms energy: -809.964435
where:
bonds (distance) C4'-P energy: -141.087
bonds (distance) P-C4' energy: -150.106
flat angles C4'-P-C4' energy: -177.059
flat angles P-C4'-P energy: -111.184
tors. eta vs tors. theta energy: -230.528
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: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2570.100518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.100518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.726034 (E_RNA)
where:
Base-Base interactions energy: -1757.670
where: short stacking energy: -748.944
Base-Backbone interact. energy: -2.294
local terms energy: -811.762599
where:
bonds (distance) C4'-P energy: -150.692
bonds (distance) P-C4' energy: -139.743
flat angles C4'-P-C4' energy: -184.755
flat angles P-C4'-P energy: -119.567
tors. eta vs tors. theta energy: -217.005
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: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2444.224082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.224082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.618745 (E_RNA)
where:
Base-Base interactions energy: -1668.715
where: short stacking energy: -726.726
Base-Backbone interact. energy: -4.254
local terms energy: -772.649754
where:
bonds (distance) C4'-P energy: -152.041
bonds (distance) P-C4' energy: -140.748
flat angles C4'-P-C4' energy: -152.829
flat angles P-C4'-P energy: -113.333
tors. eta vs tors. theta energy: -213.699
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: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2276.168790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.168790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.061967 (E_RNA)
where:
Base-Base interactions energy: -1537.572
where: short stacking energy: -666.213
Base-Backbone interact. energy: -2.223
local terms energy: -737.266510
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -147.268
flat angles C4'-P-C4' energy: -174.838
flat angles P-C4'-P energy: -96.123
tors. eta vs tors. theta energy: -190.757
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2140.699926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.699926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.449014 (E_RNA)
where:
Base-Base interactions energy: -1479.469
where: short stacking energy: -646.166
Base-Backbone interact. energy: 3.116
local terms energy: -666.095843
where:
bonds (distance) C4'-P energy: -125.973
bonds (distance) P-C4' energy: -116.809
flat angles C4'-P-C4' energy: -151.750
flat angles P-C4'-P energy: -92.656
tors. eta vs tors. theta energy: -178.908
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: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2103.795848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.795848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.716339 (E_RNA)
where:
Base-Base interactions energy: -1422.269
where: short stacking energy: -645.848
Base-Backbone interact. energy: 3.079
local terms energy: -686.525967
where:
bonds (distance) C4'-P energy: -122.762
bonds (distance) P-C4' energy: -139.047
flat angles C4'-P-C4' energy: -158.621
flat angles P-C4'-P energy: -106.113
tors. eta vs tors. theta energy: -159.983
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1999.908572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.908572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.072831 (E_RNA)
where:
Base-Base interactions energy: -1352.419
where: short stacking energy: -582.493
Base-Backbone interact. energy: -2.583
local terms energy: -649.071584
where:
bonds (distance) C4'-P energy: -136.938
bonds (distance) P-C4' energy: -121.292
flat angles C4'-P-C4' energy: -140.348
flat angles P-C4'-P energy: -97.028
tors. eta vs tors. theta energy: -153.465
Dist. restrs. and SS energy: 4.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1935.361684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.361684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.515242 (E_RNA)
where:
Base-Base interactions energy: -1343.664
where: short stacking energy: -552.367
Base-Backbone interact. energy: 2.068
local terms energy: -595.918897
where:
bonds (distance) C4'-P energy: -115.357
bonds (distance) P-C4' energy: -114.933
flat angles C4'-P-C4' energy: -138.915
flat angles P-C4'-P energy: -87.326
tors. eta vs tors. theta energy: -139.388
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: 10, replica: 5
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1879.071996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.071996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.852175 (E_RNA)
where:
Base-Base interactions energy: -1273.056
where: short stacking energy: -517.351
Base-Backbone interact. energy: 2.180
local terms energy: -610.975823
where:
bonds (distance) C4'-P energy: -109.791
bonds (distance) P-C4' energy: -152.440
flat angles C4'-P-C4' energy: -138.879
flat angles P-C4'-P energy: -83.544
tors. eta vs tors. theta energy: -126.323
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: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2867.641113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.641113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.035631 (E_RNA)
where:
Base-Base interactions energy: -1954.033
where: short stacking energy: -831.762
Base-Backbone interact. energy: -5.635
local terms energy: -910.367260
where:
bonds (distance) C4'-P energy: -178.288
bonds (distance) P-C4' energy: -167.037
flat angles C4'-P-C4' energy: -194.916
flat angles P-C4'-P energy: -135.697
tors. eta vs tors. theta energy: -234.429
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2687.334411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.334411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.767961 (E_RNA)
where:
Base-Base interactions energy: -1839.997
where: short stacking energy: -799.757
Base-Backbone interact. energy: -0.965
local terms energy: -847.805734
where:
bonds (distance) C4'-P energy: -160.855
bonds (distance) P-C4' energy: -163.232
flat angles C4'-P-C4' energy: -182.053
flat angles P-C4'-P energy: -110.857
tors. eta vs tors. theta energy: -230.809
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2702.560752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.560752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.867511 (E_RNA)
where:
Base-Base interactions energy: -1884.930
where: short stacking energy: -795.581
Base-Backbone interact. energy: -3.830
local terms energy: -816.107044
where:
bonds (distance) C4'-P energy: -143.787
bonds (distance) P-C4' energy: -157.053
flat angles C4'-P-C4' energy: -177.828
flat angles P-C4'-P energy: -122.146
tors. eta vs tors. theta energy: -215.293
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2479.019746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.019746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.350432 (E_RNA)
where:
Base-Base interactions energy: -1690.373
where: short stacking energy: -736.670
Base-Backbone interact. energy: -1.812
local terms energy: -788.165944
where:
bonds (distance) C4'-P energy: -137.006
bonds (distance) P-C4' energy: -147.259
flat angles C4'-P-C4' energy: -167.934
flat angles P-C4'-P energy: -114.503
tors. eta vs tors. theta energy: -221.464
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: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2254.234314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.234314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.226138 (E_RNA)
where:
Base-Base interactions energy: -1522.042
where: short stacking energy: -655.281
Base-Backbone interact. energy: 2.554
local terms energy: -736.738111
where:
bonds (distance) C4'-P energy: -146.758
bonds (distance) P-C4' energy: -150.049
flat angles C4'-P-C4' energy: -165.699
flat angles P-C4'-P energy: -89.310
tors. eta vs tors. theta energy: -184.922
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: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2169.712148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.712148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.795405 (E_RNA)
where:
Base-Base interactions energy: -1483.191
where: short stacking energy: -615.259
Base-Backbone interact. energy: -1.285
local terms energy: -687.319581
where:
bonds (distance) C4'-P energy: -103.578
bonds (distance) P-C4' energy: -136.582
flat angles C4'-P-C4' energy: -156.282
flat angles P-C4'-P energy: -108.125
tors. eta vs tors. theta energy: -182.752
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2147.257815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.257815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.682174 (E_RNA)
where:
Base-Base interactions energy: -1411.389
where: short stacking energy: -626.484
Base-Backbone interact. energy: -2.484
local terms energy: -735.808807
where:
bonds (distance) C4'-P energy: -151.009
bonds (distance) P-C4' energy: -149.572
flat angles C4'-P-C4' energy: -163.276
flat angles P-C4'-P energy: -87.782
tors. eta vs tors. theta energy: -184.169
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: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2014.161062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.428438 (E_RNA)
where:
Base-Base interactions energy: -1320.293
where: short stacking energy: -573.439
Base-Backbone interact. energy: 0.752
local terms energy: -697.887018
where:
bonds (distance) C4'-P energy: -163.472
bonds (distance) P-C4' energy: -127.419
flat angles C4'-P-C4' energy: -134.227
flat angles P-C4'-P energy: -109.253
tors. eta vs tors. theta energy: -163.516
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: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1925.192727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.192727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.412058 (E_RNA)
where:
Base-Base interactions energy: -1291.055
where: short stacking energy: -540.855
Base-Backbone interact. energy: 1.530
local terms energy: -638.887614
where:
bonds (distance) C4'-P energy: -115.469
bonds (distance) P-C4' energy: -163.812
flat angles C4'-P-C4' energy: -134.523
flat angles P-C4'-P energy: -81.146
tors. eta vs tors. theta energy: -143.937
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: 10, replica: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1880.661080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.661080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.372538 (E_RNA)
where:
Base-Base interactions energy: -1284.245
where: short stacking energy: -531.289
Base-Backbone interact. energy: 0.728
local terms energy: -598.855199
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -132.468
flat angles C4'-P-C4' energy: -136.495
flat angles P-C4'-P energy: -86.659
tors. eta vs tors. theta energy: -123.283
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: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2870.205037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.205037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.475527 (E_RNA)
where:
Base-Base interactions energy: -1971.504
where: short stacking energy: -834.962
Base-Backbone interact. energy: 0.658
local terms energy: -901.629362
where:
bonds (distance) C4'-P energy: -173.266
bonds (distance) P-C4' energy: -165.302
flat angles C4'-P-C4' energy: -182.585
flat angles P-C4'-P energy: -128.731
tors. eta vs tors. theta energy: -251.746
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2695.639411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.639411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.124141 (E_RNA)
where:
Base-Base interactions energy: -1852.671
where: short stacking energy: -801.389
Base-Backbone interact. energy: -4.848
local terms energy: -839.605053
where:
bonds (distance) C4'-P energy: -146.944
bonds (distance) P-C4' energy: -156.522
flat angles C4'-P-C4' energy: -179.025
flat angles P-C4'-P energy: -117.401
tors. eta vs tors. theta energy: -239.712
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2691.007374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.007374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.054740 (E_RNA)
where:
Base-Base interactions energy: -1859.526
where: short stacking energy: -802.809
Base-Backbone interact. energy: 2.584
local terms energy: -836.112505
where:
bonds (distance) C4'-P energy: -160.211
bonds (distance) P-C4' energy: -157.463
flat angles C4'-P-C4' energy: -190.450
flat angles P-C4'-P energy: -112.968
tors. eta vs tors. theta energy: -215.020
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2491.135317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.135317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.349332 (E_RNA)
where:
Base-Base interactions energy: -1694.301
where: short stacking energy: -746.089
Base-Backbone interact. energy: -3.110
local terms energy: -794.938355
where:
bonds (distance) C4'-P energy: -149.085
bonds (distance) P-C4' energy: -155.179
flat angles C4'-P-C4' energy: -160.430
flat angles P-C4'-P energy: -119.455
tors. eta vs tors. theta energy: -210.789
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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2278.693851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.693851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.872216 (E_RNA)
where:
Base-Base interactions energy: -1532.056
where: short stacking energy: -682.898
Base-Backbone interact. energy: -1.493
local terms energy: -748.323127
where:
bonds (distance) C4'-P energy: -127.273
bonds (distance) P-C4' energy: -145.766
flat angles C4'-P-C4' energy: -177.159
flat angles P-C4'-P energy: -109.868
tors. eta vs tors. theta energy: -188.257
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2215.439432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.439432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.638273 (E_RNA)
where:
Base-Base interactions energy: -1477.651
where: short stacking energy: -644.031
Base-Backbone interact. energy: 3.758
local terms energy: -743.745374
where:
bonds (distance) C4'-P energy: -139.619
bonds (distance) P-C4' energy: -146.490
flat angles C4'-P-C4' energy: -161.009
flat angles P-C4'-P energy: -111.615
tors. eta vs tors. theta energy: -185.013
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2158.162094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.162094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.596721 (E_RNA)
where:
Base-Base interactions energy: -1443.430
where: short stacking energy: -627.139
Base-Backbone interact. energy: 2.957
local terms energy: -720.124138
where:
bonds (distance) C4'-P energy: -141.982
bonds (distance) P-C4' energy: -138.118
flat angles C4'-P-C4' energy: -169.091
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -176.124
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: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2011.759419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.759419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.772943 (E_RNA)
where:
Base-Base interactions energy: -1367.069
where: short stacking energy: -586.111
Base-Backbone interact. energy: -3.657
local terms energy: -643.046526
where:
bonds (distance) C4'-P energy: -127.971
bonds (distance) P-C4' energy: -125.433
flat angles C4'-P-C4' energy: -151.288
flat angles P-C4'-P energy: -93.483
tors. eta vs tors. theta energy: -144.872
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1929.038201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.038201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.930196 (E_RNA)
where:
Base-Base interactions energy: -1323.206
where: short stacking energy: -546.583
Base-Backbone interact. energy: 1.914
local terms energy: -611.637780
where:
bonds (distance) C4'-P energy: -126.016
bonds (distance) P-C4' energy: -125.931
flat angles C4'-P-C4' energy: -132.192
flat angles P-C4'-P energy: -82.593
tors. eta vs tors. theta energy: -144.907
Dist. restrs. and SS energy: 3.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1881.361811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.361811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.188983 (E_RNA)
where:
Base-Base interactions energy: -1304.173
where: short stacking energy: -559.588
Base-Backbone interact. energy: 6.468
local terms energy: -587.484426
where:
bonds (distance) C4'-P energy: -107.952
bonds (distance) P-C4' energy: -121.499
flat angles C4'-P-C4' energy: -155.312
flat angles P-C4'-P energy: -86.670
tors. eta vs tors. theta energy: -116.051
Dist. restrs. and SS energy: 3.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2832.208332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.208332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.909376 (E_RNA)
where:
Base-Base interactions energy: -1947.174
where: short stacking energy: -843.991
Base-Backbone interact. energy: -3.785
local terms energy: -882.950149
where:
bonds (distance) C4'-P energy: -146.010
bonds (distance) P-C4' energy: -176.965
flat angles C4'-P-C4' energy: -187.264
flat angles P-C4'-P energy: -116.948
tors. eta vs tors. theta energy: -255.762
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: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2682.954410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.954410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.886911 (E_RNA)
where:
Base-Base interactions energy: -1829.779
where: short stacking energy: -825.346
Base-Backbone interact. energy: 1.182
local terms energy: -855.290281
where:
bonds (distance) C4'-P energy: -167.572
bonds (distance) P-C4' energy: -145.314
flat angles C4'-P-C4' energy: -188.006
flat angles P-C4'-P energy: -111.532
tors. eta vs tors. theta energy: -242.866
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2696.443459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.443459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.107523 (E_RNA)
where:
Base-Base interactions energy: -1868.484
where: short stacking energy: -777.871
Base-Backbone interact. energy: -0.831
local terms energy: -828.792459
where:
bonds (distance) C4'-P energy: -168.309
bonds (distance) P-C4' energy: -162.973
flat angles C4'-P-C4' energy: -162.331
flat angles P-C4'-P energy: -118.801
tors. eta vs tors. theta energy: -216.378
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2516.763989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.763989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.668614 (E_RNA)
where:
Base-Base interactions energy: -1707.908
where: short stacking energy: -740.301
Base-Backbone interact. energy: 2.071
local terms energy: -812.831905
where:
bonds (distance) C4'-P energy: -147.115
bonds (distance) P-C4' energy: -152.989
flat angles C4'-P-C4' energy: -186.168
flat angles P-C4'-P energy: -109.327
tors. eta vs tors. theta energy: -217.234
Dist. restrs. and SS energy: 1.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2296.045132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.045132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.492264 (E_RNA)
where:
Base-Base interactions energy: -1526.826
where: short stacking energy: -665.793
Base-Backbone interact. energy: -1.920
local terms energy: -768.746407
where:
bonds (distance) C4'-P energy: -149.482
bonds (distance) P-C4' energy: -160.093
flat angles C4'-P-C4' energy: -165.904
flat angles P-C4'-P energy: -110.792
tors. eta vs tors. theta energy: -182.475
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2209.961973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.961973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.417436 (E_RNA)
where:
Base-Base interactions energy: -1519.301
where: short stacking energy: -658.460
Base-Backbone interact. energy: -1.059
local terms energy: -692.056974
where:
bonds (distance) C4'-P energy: -145.559
bonds (distance) P-C4' energy: -129.945
flat angles C4'-P-C4' energy: -166.419
flat angles P-C4'-P energy: -76.030
tors. eta vs tors. theta energy: -174.104
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -2122.418602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.418602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.861753 (E_RNA)
where:
Base-Base interactions energy: -1402.332
where: short stacking energy: -614.274
Base-Backbone interact. energy: -2.171
local terms energy: -720.359017
where:
bonds (distance) C4'-P energy: -138.053
bonds (distance) P-C4' energy: -135.204
flat angles C4'-P-C4' energy: -168.418
flat angles P-C4'-P energy: -103.885
tors. eta vs tors. theta energy: -174.799
Dist. restrs. and SS energy: 2.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1977.556010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.556010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.808413 (E_RNA)
where:
Base-Base interactions energy: -1305.934
where: short stacking energy: -540.918
Base-Backbone interact. energy: -4.120
local terms energy: -669.755118
where:
bonds (distance) C4'-P energy: -150.237
bonds (distance) P-C4' energy: -125.962
flat angles C4'-P-C4' energy: -148.541
flat angles P-C4'-P energy: -91.560
tors. eta vs tors. theta energy: -153.455
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: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1987.824455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.824455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.450012 (E_RNA)
where:
Base-Base interactions energy: -1344.417
where: short stacking energy: -583.906
Base-Backbone interact. energy: -1.454
local terms energy: -645.579351
where:
bonds (distance) C4'-P energy: -126.737
bonds (distance) P-C4' energy: -135.361
flat angles C4'-P-C4' energy: -152.454
flat angles P-C4'-P energy: -84.955
tors. eta vs tors. theta energy: -146.073
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1852.089749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.089749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.777615 (E_RNA)
where:
Base-Base interactions energy: -1273.104
where: short stacking energy: -514.801
Base-Backbone interact. energy: 6.813
local terms energy: -588.487279
where:
bonds (distance) C4'-P energy: -137.702
bonds (distance) P-C4' energy: -122.102
flat angles C4'-P-C4' energy: -142.294
flat angles P-C4'-P energy: -62.758
tors. eta vs tors. theta energy: -123.632
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: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2862.065512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.065512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.730801 (E_RNA)
where:
Base-Base interactions energy: -1971.736
where: short stacking energy: -827.733
Base-Backbone interact. energy: -4.751
local terms energy: -887.243961
where:
bonds (distance) C4'-P energy: -158.451
bonds (distance) P-C4' energy: -164.264
flat angles C4'-P-C4' energy: -180.808
flat angles P-C4'-P energy: -129.572
tors. eta vs tors. theta energy: -254.149
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: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2648.959360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.959360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.275979 (E_RNA)
where:
Base-Base interactions energy: -1815.589
where: short stacking energy: -784.451
Base-Backbone interact. energy: 2.849
local terms energy: -838.535985
where:
bonds (distance) C4'-P energy: -151.929
bonds (distance) P-C4' energy: -170.640
flat angles C4'-P-C4' energy: -165.981
flat angles P-C4'-P energy: -132.813
tors. eta vs tors. theta energy: -217.173
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2629.698983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.698983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.900760 (E_RNA)
where:
Base-Base interactions energy: -1810.293
where: short stacking energy: -775.721
Base-Backbone interact. energy: 2.337
local terms energy: -822.944519
where:
bonds (distance) C4'-P energy: -139.943
bonds (distance) P-C4' energy: -161.942
flat angles C4'-P-C4' energy: -176.345
flat angles P-C4'-P energy: -112.726
tors. eta vs tors. theta energy: -231.988
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2512.201077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.201077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.675817 (E_RNA)
where:
Base-Base interactions energy: -1682.283
where: short stacking energy: -742.076
Base-Backbone interact. energy: -0.016
local terms energy: -832.377405
where:
bonds (distance) C4'-P energy: -153.295
bonds (distance) P-C4' energy: -150.972
flat angles C4'-P-C4' energy: -184.306
flat angles P-C4'-P energy: -119.285
tors. eta vs tors. theta energy: -224.520
Dist. restrs. and SS energy: 2.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2301.255678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.255678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.074414 (E_RNA)
where:
Base-Base interactions energy: -1544.911
where: short stacking energy: -657.903
Base-Backbone interact. energy: -3.038
local terms energy: -756.125112
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -153.562
flat angles C4'-P-C4' energy: -167.081
flat angles P-C4'-P energy: -103.222
tors. eta vs tors. theta energy: -188.853
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: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2197.684664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.684664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.688113 (E_RNA)
where:
Base-Base interactions energy: -1505.994
where: short stacking energy: -650.206
Base-Backbone interact. energy: -2.828
local terms energy: -690.866055
where:
bonds (distance) C4'-P energy: -131.832
bonds (distance) P-C4' energy: -137.807
flat angles C4'-P-C4' energy: -155.004
flat angles P-C4'-P energy: -103.732
tors. eta vs tors. theta energy: -162.491
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: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2140.929441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.929441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.343198 (E_RNA)
where:
Base-Base interactions energy: -1466.116
where: short stacking energy: -607.579
Base-Backbone interact. energy: 2.720
local terms energy: -678.947685
where:
bonds (distance) C4'-P energy: -148.823
bonds (distance) P-C4' energy: -135.981
flat angles C4'-P-C4' energy: -151.961
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -168.885
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1933.348949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.162068 (E_RNA)
where:
Base-Base interactions energy: -1305.715
where: short stacking energy: -576.030
Base-Backbone interact. energy: 7.068
local terms energy: -637.514925
where:
bonds (distance) C4'-P energy: -123.699
bonds (distance) P-C4' energy: -137.489
flat angles C4'-P-C4' energy: -142.664
flat angles P-C4'-P energy: -109.982
tors. eta vs tors. theta energy: -123.681
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: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1917.674336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.674336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.594884 (E_RNA)
where:
Base-Base interactions energy: -1315.810
where: short stacking energy: -555.107
Base-Backbone interact. energy: 1.270
local terms energy: -606.054905
where:
bonds (distance) C4'-P energy: -134.757
bonds (distance) P-C4' energy: -121.716
flat angles C4'-P-C4' energy: -147.080
flat angles P-C4'-P energy: -57.135
tors. eta vs tors. theta energy: -145.368
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1919.887310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.887310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.988243 (E_RNA)
where:
Base-Base interactions energy: -1294.150
where: short stacking energy: -548.324
Base-Backbone interact. energy: -0.438
local terms energy: -627.401055
where:
bonds (distance) C4'-P energy: -125.360
bonds (distance) P-C4' energy: -130.726
flat angles C4'-P-C4' energy: -122.068
flat angles P-C4'-P energy: -91.805
tors. eta vs tors. theta energy: -157.441
Dist. restrs. and SS energy: 2.101 (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: 151
Temperature: 0.900000
Total energy: -2827.169693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.169693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.029123 (E_RNA)
where:
Base-Base interactions energy: -1912.587
where: short stacking energy: -820.166
Base-Backbone interact. energy: -4.874
local terms energy: -910.568483
where:
bonds (distance) C4'-P energy: -168.818
bonds (distance) P-C4' energy: -154.520
flat angles C4'-P-C4' energy: -191.886
flat angles P-C4'-P energy: -132.728
tors. eta vs tors. theta energy: -262.616
Dist. restrs. and SS energy: 0.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2644.431513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.431513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.562340 (E_RNA)
where:
Base-Base interactions energy: -1820.707
where: short stacking energy: -787.203
Base-Backbone interact. energy: 3.640
local terms energy: -828.495412
where:
bonds (distance) C4'-P energy: -140.549
bonds (distance) P-C4' energy: -158.465
flat angles C4'-P-C4' energy: -186.344
flat angles P-C4'-P energy: -112.306
tors. eta vs tors. theta energy: -230.831
Dist. restrs. and SS energy: 1.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2669.486518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.486518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.958018 (E_RNA)
where:
Base-Base interactions energy: -1871.788
where: short stacking energy: -767.113
Base-Backbone interact. energy: -4.581
local terms energy: -795.588891
where:
bonds (distance) C4'-P energy: -149.471
bonds (distance) P-C4' energy: -153.338
flat angles C4'-P-C4' energy: -178.388
flat angles P-C4'-P energy: -102.524
tors. eta vs tors. theta energy: -211.869
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2477.726530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.726530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.096108 (E_RNA)
where:
Base-Base interactions energy: -1689.340
where: short stacking energy: -706.532
Base-Backbone interact. energy: -4.913
local terms energy: -784.843083
where:
bonds (distance) C4'-P energy: -151.229
bonds (distance) P-C4' energy: -148.538
flat angles C4'-P-C4' energy: -173.541
flat angles P-C4'-P energy: -113.923
tors. eta vs tors. theta energy: -197.612
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2295.533777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.533777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.390089 (E_RNA)
where:
Base-Base interactions energy: -1565.822
where: short stacking energy: -680.455
Base-Backbone interact. energy: -1.561
local terms energy: -730.006690
where:
bonds (distance) C4'-P energy: -128.815
bonds (distance) P-C4' energy: -138.409
flat angles C4'-P-C4' energy: -164.567
flat angles P-C4'-P energy: -107.405
tors. eta vs tors. theta energy: -190.810
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2218.901415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.901415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.699987 (E_RNA)
where:
Base-Base interactions energy: -1447.533
where: short stacking energy: -638.010
Base-Backbone interact. energy: -0.601
local terms energy: -773.566155
where:
bonds (distance) C4'-P energy: -149.593
bonds (distance) P-C4' energy: -146.610
flat angles C4'-P-C4' energy: -173.409
flat angles P-C4'-P energy: -118.328
tors. eta vs tors. theta energy: -185.626
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2174.239063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.239063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.203046 (E_RNA)
where:
Base-Base interactions energy: -1469.141
where: short stacking energy: -623.973
Base-Backbone interact. energy: -3.557
local terms energy: -704.505566
where:
bonds (distance) C4'-P energy: -146.524
bonds (distance) P-C4' energy: -156.708
flat angles C4'-P-C4' energy: -151.056
flat angles P-C4'-P energy: -81.754
tors. eta vs tors. theta energy: -168.463
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2031.813610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.813610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.163921 (E_RNA)
where:
Base-Base interactions energy: -1352.997
where: short stacking energy: -580.973
Base-Backbone interact. energy: -1.558
local terms energy: -678.609825
where:
bonds (distance) C4'-P energy: -145.277
bonds (distance) P-C4' energy: -153.327
flat angles C4'-P-C4' energy: -153.150
flat angles P-C4'-P energy: -87.211
tors. eta vs tors. theta energy: -139.645
Dist. restrs. and SS energy: 1.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1914.400293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.400293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.650039 (E_RNA)
where:
Base-Base interactions energy: -1282.671
where: short stacking energy: -520.274
Base-Backbone interact. energy: -3.889
local terms energy: -630.090253
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -131.437
flat angles C4'-P-C4' energy: -141.311
flat angles P-C4'-P energy: -94.961
tors. eta vs tors. theta energy: -123.944
Dist. restrs. and SS energy: 2.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1861.296132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.296132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.957279 (E_RNA)
where:
Base-Base interactions energy: -1298.175
where: short stacking energy: -532.281
Base-Backbone interact. energy: -4.535
local terms energy: -561.247103
where:
bonds (distance) C4'-P energy: -130.228
bonds (distance) P-C4' energy: -111.549
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -133.778
Dist. restrs. and SS energy: 2.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2854.764952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.764952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.663141 (E_RNA)
where:
Base-Base interactions energy: -1965.319
where: short stacking energy: -836.789
Base-Backbone interact. energy: -1.815
local terms energy: -888.529177
where:
bonds (distance) C4'-P energy: -150.799
bonds (distance) P-C4' energy: -169.714
flat angles C4'-P-C4' energy: -188.479
flat angles P-C4'-P energy: -123.225
tors. eta vs tors. theta energy: -256.313
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2696.075838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.075838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.660789 (E_RNA)
where:
Base-Base interactions energy: -1858.446
where: short stacking energy: -806.549
Base-Backbone interact. energy: 9.760
local terms energy: -848.974299
where:
bonds (distance) C4'-P energy: -159.969
bonds (distance) P-C4' energy: -162.659
flat angles C4'-P-C4' energy: -176.100
flat angles P-C4'-P energy: -115.415
tors. eta vs tors. theta energy: -234.832
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: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2628.240846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.807922 (E_RNA)
where:
Base-Base interactions energy: -1802.302
where: short stacking energy: -749.321
Base-Backbone interact. energy: -0.151
local terms energy: -827.354945
where:
bonds (distance) C4'-P energy: -154.834
bonds (distance) P-C4' energy: -153.251
flat angles C4'-P-C4' energy: -174.842
flat angles P-C4'-P energy: -133.925
tors. eta vs tors. theta energy: -210.503
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: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2475.917048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.917048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.930065 (E_RNA)
where:
Base-Base interactions energy: -1709.883
where: short stacking energy: -708.081
Base-Backbone interact. energy: -0.392
local terms energy: -768.655184
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -149.909
flat angles C4'-P-C4' energy: -169.819
flat angles P-C4'-P energy: -90.832
tors. eta vs tors. theta energy: -211.861
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2287.812109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.812109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.317572 (E_RNA)
where:
Base-Base interactions energy: -1541.282
where: short stacking energy: -673.077
Base-Backbone interact. energy: 0.803
local terms energy: -748.838259
where:
bonds (distance) C4'-P energy: -129.897
bonds (distance) P-C4' energy: -150.591
flat angles C4'-P-C4' energy: -166.567
flat angles P-C4'-P energy: -99.009
tors. eta vs tors. theta energy: -202.774
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2189.631462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.631462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.529653 (E_RNA)
where:
Base-Base interactions energy: -1491.425
where: short stacking energy: -631.609
Base-Backbone interact. energy: -1.967
local terms energy: -698.137845
where:
bonds (distance) C4'-P energy: -113.108
bonds (distance) P-C4' energy: -137.854
flat angles C4'-P-C4' energy: -169.392
flat angles P-C4'-P energy: -98.869
tors. eta vs tors. theta energy: -178.915
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2109.787634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.787634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.294153 (E_RNA)
where:
Base-Base interactions energy: -1459.317
where: short stacking energy: -593.792
Base-Backbone interact. energy: -1.275
local terms energy: -651.701419
where:
bonds (distance) C4'-P energy: -141.689
bonds (distance) P-C4' energy: -111.619
flat angles C4'-P-C4' energy: -144.477
flat angles P-C4'-P energy: -92.970
tors. eta vs tors. theta energy: -160.947
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1994.158908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.158908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.336776 (E_RNA)
where:
Base-Base interactions energy: -1334.037
where: short stacking energy: -557.201
Base-Backbone interact. energy: 5.088
local terms energy: -668.387073
where:
bonds (distance) C4'-P energy: -125.440
bonds (distance) P-C4' energy: -152.531
flat angles C4'-P-C4' energy: -162.922
flat angles P-C4'-P energy: -86.753
tors. eta vs tors. theta energy: -140.742
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1967.806017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.806017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.553472 (E_RNA)
where:
Base-Base interactions energy: -1337.841
where: short stacking energy: -553.677
Base-Backbone interact. energy: 0.371
local terms energy: -633.083273
where:
bonds (distance) C4'-P energy: -106.796
bonds (distance) P-C4' energy: -150.594
flat angles C4'-P-C4' energy: -137.350
flat angles P-C4'-P energy: -90.202
tors. eta vs tors. theta energy: -148.141
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1869.278595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.278595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.158616 (E_RNA)
where:
Base-Base interactions energy: -1264.193
where: short stacking energy: -554.511
Base-Backbone interact. energy: 10.244
local terms energy: -620.209545
where:
bonds (distance) C4'-P energy: -122.423
bonds (distance) P-C4' energy: -151.986
flat angles C4'-P-C4' energy: -135.410
flat angles P-C4'-P energy: -79.105
tors. eta vs tors. theta energy: -131.284
Dist. restrs. and SS energy: 4.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2860.406566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.406566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.797999 (E_RNA)
where:
Base-Base interactions energy: -1959.965
where: short stacking energy: -854.549
Base-Backbone interact. energy: -5.426
local terms energy: -896.407490
where:
bonds (distance) C4'-P energy: -150.249
bonds (distance) P-C4' energy: -162.451
flat angles C4'-P-C4' energy: -183.684
flat angles P-C4'-P energy: -140.543
tors. eta vs tors. theta energy: -259.480
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: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2689.346816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.346816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.870544 (E_RNA)
where:
Base-Base interactions energy: -1867.079
where: short stacking energy: -786.455
Base-Backbone interact. energy: 2.201
local terms energy: -825.992852
where:
bonds (distance) C4'-P energy: -150.638
bonds (distance) P-C4' energy: -161.382
flat angles C4'-P-C4' energy: -185.562
flat angles P-C4'-P energy: -107.574
tors. eta vs tors. theta energy: -220.837
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: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2648.296721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.296721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.164081 (E_RNA)
where:
Base-Base interactions energy: -1842.241
where: short stacking energy: -770.272
Base-Backbone interact. energy: -2.102
local terms energy: -805.821649
where:
bonds (distance) C4'-P energy: -138.216
bonds (distance) P-C4' energy: -156.571
flat angles C4'-P-C4' energy: -177.407
flat angles P-C4'-P energy: -121.121
tors. eta vs tors. theta energy: -212.506
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: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2502.561715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.561715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.042845 (E_RNA)
where:
Base-Base interactions energy: -1705.897
where: short stacking energy: -720.403
Base-Backbone interact. energy: -1.968
local terms energy: -797.178531
where:
bonds (distance) C4'-P energy: -147.545
bonds (distance) P-C4' energy: -162.192
flat angles C4'-P-C4' energy: -172.181
flat angles P-C4'-P energy: -104.161
tors. eta vs tors. theta energy: -211.099
Dist. restrs. and SS energy: 2.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2349.103809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.103809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.847813 (E_RNA)
where:
Base-Base interactions energy: -1589.739
where: short stacking energy: -679.615
Base-Backbone interact. energy: 0.392
local terms energy: -761.500025
where:
bonds (distance) C4'-P energy: -142.712
bonds (distance) P-C4' energy: -156.244
flat angles C4'-P-C4' energy: -166.219
flat angles P-C4'-P energy: -105.706
tors. eta vs tors. theta energy: -190.619
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2219.551389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.551389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.156677 (E_RNA)
where:
Base-Base interactions energy: -1502.128
where: short stacking energy: -622.373
Base-Backbone interact. energy: 1.553
local terms energy: -720.581811
where:
bonds (distance) C4'-P energy: -142.585
bonds (distance) P-C4' energy: -144.863
flat angles C4'-P-C4' energy: -158.754
flat angles P-C4'-P energy: -101.860
tors. eta vs tors. theta energy: -172.520
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2145.781612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.781612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.747257 (E_RNA)
where:
Base-Base interactions energy: -1445.088
where: short stacking energy: -621.966
Base-Backbone interact. energy: 2.279
local terms energy: -704.938277
where:
bonds (distance) C4'-P energy: -138.909
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -147.691
flat angles P-C4'-P energy: -107.067
tors. eta vs tors. theta energy: -172.847
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: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2006.228492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.228492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.708829 (E_RNA)
where:
Base-Base interactions energy: -1341.722
where: short stacking energy: -568.955
Base-Backbone interact. energy: -3.073
local terms energy: -663.913567
where:
bonds (distance) C4'-P energy: -121.059
bonds (distance) P-C4' energy: -160.911
flat angles C4'-P-C4' energy: -127.297
flat angles P-C4'-P energy: -110.175
tors. eta vs tors. theta energy: -144.472
Dist. restrs. and SS energy: 2.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1877.300717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.300717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.292064 (E_RNA)
where:
Base-Base interactions energy: -1262.469
where: short stacking energy: -514.225
Base-Backbone interact. energy: -3.837
local terms energy: -612.986564
where:
bonds (distance) C4'-P energy: -130.814
bonds (distance) P-C4' energy: -137.033
flat angles C4'-P-C4' energy: -137.484
flat angles P-C4'-P energy: -91.198
tors. eta vs tors. theta energy: -116.458
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: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1889.326331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.326331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.468277 (E_RNA)
where:
Base-Base interactions energy: -1267.506
where: short stacking energy: -538.297
Base-Backbone interact. energy: 3.462
local terms energy: -628.424822
where:
bonds (distance) C4'-P energy: -140.192
bonds (distance) P-C4' energy: -129.845
flat angles C4'-P-C4' energy: -136.318
flat angles P-C4'-P energy: -94.533
tors. eta vs tors. theta energy: -127.537
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: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2871.466848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.466848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.327895 (E_RNA)
where:
Base-Base interactions energy: -1979.895
where: short stacking energy: -841.364
Base-Backbone interact. energy: -3.157
local terms energy: -889.276037
where:
bonds (distance) C4'-P energy: -149.176
bonds (distance) P-C4' energy: -164.132
flat angles C4'-P-C4' energy: -177.097
flat angles P-C4'-P energy: -136.604
tors. eta vs tors. theta energy: -262.267
Dist. restrs. and SS energy: 0.861 (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: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2703.993159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.993159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.670992 (E_RNA)
where:
Base-Base interactions energy: -1858.754
where: short stacking energy: -793.779
Base-Backbone interact. energy: 2.271
local terms energy: -849.187999
where:
bonds (distance) C4'-P energy: -155.922
bonds (distance) P-C4' energy: -151.369
flat angles C4'-P-C4' energy: -164.931
flat angles P-C4'-P energy: -134.606
tors. eta vs tors. theta energy: -242.360
Dist. restrs. and SS energy: 1.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2681.023116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.023116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.822856 (E_RNA)
where:
Base-Base interactions energy: -1862.530
where: short stacking energy: -798.734
Base-Backbone interact. energy: 3.672
local terms energy: -824.965009
where:
bonds (distance) C4'-P energy: -162.036
bonds (distance) P-C4' energy: -156.570
flat angles C4'-P-C4' energy: -173.589
flat angles P-C4'-P energy: -121.007
tors. eta vs tors. theta energy: -211.763
Dist. restrs. and SS energy: 2.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2499.409808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.409808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.197441 (E_RNA)
where:
Base-Base interactions energy: -1708.097
where: short stacking energy: -707.014
Base-Backbone interact. energy: -2.364
local terms energy: -790.736334
where:
bonds (distance) C4'-P energy: -141.125
bonds (distance) P-C4' energy: -163.119
flat angles C4'-P-C4' energy: -174.914
flat angles P-C4'-P energy: -117.587
tors. eta vs tors. theta energy: -193.992
Dist. restrs. and SS energy: 1.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2267.129450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.129450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.538654 (E_RNA)
where:
Base-Base interactions energy: -1531.306
where: short stacking energy: -679.499
Base-Backbone interact. energy: -2.916
local terms energy: -735.316801
where:
bonds (distance) C4'-P energy: -129.989
bonds (distance) P-C4' energy: -134.292
flat angles C4'-P-C4' energy: -166.127
flat angles P-C4'-P energy: -112.700
tors. eta vs tors. theta energy: -192.210
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2251.890764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.890764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.753014 (E_RNA)
where:
Base-Base interactions energy: -1511.833
where: short stacking energy: -658.559
Base-Backbone interact. energy: 2.901
local terms energy: -745.820938
where:
bonds (distance) C4'-P energy: -164.661
bonds (distance) P-C4' energy: -135.844
flat angles C4'-P-C4' energy: -161.250
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -185.448
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2129.178896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.178896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.422510 (E_RNA)
where:
Base-Base interactions energy: -1457.075
where: short stacking energy: -651.622
Base-Backbone interact. energy: -2.091
local terms energy: -672.256044
where:
bonds (distance) C4'-P energy: -131.025
bonds (distance) P-C4' energy: -127.922
flat angles C4'-P-C4' energy: -152.702
flat angles P-C4'-P energy: -90.603
tors. eta vs tors. theta energy: -170.004
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: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2028.330944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.330944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.731655 (E_RNA)
where:
Base-Base interactions energy: -1369.385
where: short stacking energy: -575.691
Base-Backbone interact. energy: -3.424
local terms energy: -657.923154
where:
bonds (distance) C4'-P energy: -125.945
bonds (distance) P-C4' energy: -128.130
flat angles C4'-P-C4' energy: -155.026
flat angles P-C4'-P energy: -97.667
tors. eta vs tors. theta energy: -151.155
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: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1908.733046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.733046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.609293 (E_RNA)
where:
Base-Base interactions energy: -1298.816
where: short stacking energy: -547.698
Base-Backbone interact. energy: 2.633
local terms energy: -615.425678
where:
bonds (distance) C4'-P energy: -119.974
bonds (distance) P-C4' energy: -141.603
flat angles C4'-P-C4' energy: -141.947
flat angles P-C4'-P energy: -79.450
tors. eta vs tors. theta energy: -132.452
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1858.331949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.331949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.724013 (E_RNA)
where:
Base-Base interactions energy: -1248.389
where: short stacking energy: -518.805
Base-Backbone interact. energy: 3.797
local terms energy: -617.131967
where:
bonds (distance) C4'-P energy: -130.613
bonds (distance) P-C4' energy: -125.897
flat angles C4'-P-C4' energy: -135.591
flat angles P-C4'-P energy: -75.254
tors. eta vs tors. theta energy: -149.777
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2855.619582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.619582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.627024 (E_RNA)
where:
Base-Base interactions energy: -1946.489
where: short stacking energy: -800.866
Base-Backbone interact. energy: -5.246
local terms energy: -904.891901
where:
bonds (distance) C4'-P energy: -159.976
bonds (distance) P-C4' energy: -164.619
flat angles C4'-P-C4' energy: -190.519
flat angles P-C4'-P energy: -131.455
tors. eta vs tors. theta energy: -258.323
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: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2723.639029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.639029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.561787 (E_RNA)
where:
Base-Base interactions energy: -1888.343
where: short stacking energy: -791.829
Base-Backbone interact. energy: 2.173
local terms energy: -839.391772
where:
bonds (distance) C4'-P energy: -158.658
bonds (distance) P-C4' energy: -164.699
flat angles C4'-P-C4' energy: -184.411
flat angles P-C4'-P energy: -113.634
tors. eta vs tors. theta energy: -217.989
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: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2627.872531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.872531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.762606 (E_RNA)
where:
Base-Base interactions energy: -1791.054
where: short stacking energy: -783.269
Base-Backbone interact. energy: -0.823
local terms energy: -838.885942
where:
bonds (distance) C4'-P energy: -156.698
bonds (distance) P-C4' energy: -151.398
flat angles C4'-P-C4' energy: -189.339
flat angles P-C4'-P energy: -114.727
tors. eta vs tors. theta energy: -226.724
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2528.674897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.674897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.724219 (E_RNA)
where:
Base-Base interactions energy: -1683.790
where: short stacking energy: -767.314
Base-Backbone interact. energy: -0.668
local terms energy: -848.266093
where:
bonds (distance) C4'-P energy: -150.182
bonds (distance) P-C4' energy: -160.522
flat angles C4'-P-C4' energy: -181.103
flat angles P-C4'-P energy: -123.567
tors. eta vs tors. theta energy: -232.893
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: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2280.205529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.205529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.464442 (E_RNA)
where:
Base-Base interactions energy: -1548.266
where: short stacking energy: -668.615
Base-Backbone interact. energy: 2.695
local terms energy: -736.893329
where:
bonds (distance) C4'-P energy: -129.672
bonds (distance) P-C4' energy: -151.649
flat angles C4'-P-C4' energy: -159.000
flat angles P-C4'-P energy: -112.553
tors. eta vs tors. theta energy: -184.019
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2226.813339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.813339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.357256 (E_RNA)
where:
Base-Base interactions energy: -1498.010
where: short stacking energy: -652.647
Base-Backbone interact. energy: -1.133
local terms energy: -729.214038
where:
bonds (distance) C4'-P energy: -144.223
bonds (distance) P-C4' energy: -150.824
flat angles C4'-P-C4' energy: -155.468
flat angles P-C4'-P energy: -95.534
tors. eta vs tors. theta energy: -183.165
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: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2187.992016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.992016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.476793 (E_RNA)
where:
Base-Base interactions energy: -1434.101
where: short stacking energy: -624.444
Base-Backbone interact. energy: -3.248
local terms energy: -752.127562
where:
bonds (distance) C4'-P energy: -159.450
bonds (distance) P-C4' energy: -144.538
flat angles C4'-P-C4' energy: -157.919
flat angles P-C4'-P energy: -108.889
tors. eta vs tors. theta energy: -181.332
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: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1965.048624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.048624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.829810 (E_RNA)
where:
Base-Base interactions energy: -1323.992
where: short stacking energy: -565.473
Base-Backbone interact. energy: 4.579
local terms energy: -652.416915
where:
bonds (distance) C4'-P energy: -122.686
bonds (distance) P-C4' energy: -140.620
flat angles C4'-P-C4' energy: -135.669
flat angles P-C4'-P energy: -90.472
tors. eta vs tors. theta energy: -162.970
Dist. restrs. and SS energy: 6.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1981.210516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.210516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.118171 (E_RNA)
where:
Base-Base interactions energy: -1334.834
where: short stacking energy: -572.370
Base-Backbone interact. energy: 5.033
local terms energy: -654.316778
where:
bonds (distance) C4'-P energy: -125.805
bonds (distance) P-C4' energy: -133.488
flat angles C4'-P-C4' energy: -143.551
flat angles P-C4'-P energy: -91.611
tors. eta vs tors. theta energy: -159.862
Dist. restrs. and SS energy: 2.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1849.196259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.196259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.331988 (E_RNA)
where:
Base-Base interactions energy: -1250.922
where: short stacking energy: -526.949
Base-Backbone interact. energy: 0.625
local terms energy: -605.035219
where:
bonds (distance) C4'-P energy: -112.085
bonds (distance) P-C4' energy: -128.247
flat angles C4'-P-C4' energy: -141.472
flat angles P-C4'-P energy: -80.854
tors. eta vs tors. theta energy: -142.377
Dist. restrs. and SS energy: 6.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2844.551572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.551572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.235488 (E_RNA)
where:
Base-Base interactions energy: -1951.493
where: short stacking energy: -842.181
Base-Backbone interact. energy: -1.509
local terms energy: -893.233709
where:
bonds (distance) C4'-P energy: -153.747
bonds (distance) P-C4' energy: -171.244
flat angles C4'-P-C4' energy: -188.017
flat angles P-C4'-P energy: -127.772
tors. eta vs tors. theta energy: -252.453
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: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2757.173896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.173896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.452446 (E_RNA)
where:
Base-Base interactions energy: -1928.335
where: short stacking energy: -822.420
Base-Backbone interact. energy: -2.934
local terms energy: -829.183913
where:
bonds (distance) C4'-P energy: -152.920
bonds (distance) P-C4' energy: -148.516
flat angles C4'-P-C4' energy: -179.490
flat angles P-C4'-P energy: -119.400
tors. eta vs tors. theta energy: -228.857
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: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2622.090455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.090455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.316147 (E_RNA)
where:
Base-Base interactions energy: -1785.840
where: short stacking energy: -784.262
Base-Backbone interact. energy: 2.157
local terms energy: -840.633226
where:
bonds (distance) C4'-P energy: -151.083
bonds (distance) P-C4' energy: -185.403
flat angles C4'-P-C4' energy: -171.467
flat angles P-C4'-P energy: -104.302
tors. eta vs tors. theta energy: -228.379
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: 156
Temperature: 1.050000
Total energy: -2509.525218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.525218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.741377 (E_RNA)
where:
Base-Base interactions energy: -1700.944
where: short stacking energy: -743.500
Base-Backbone interact. energy: -2.882
local terms energy: -808.914906
where:
bonds (distance) C4'-P energy: -151.020
bonds (distance) P-C4' energy: -144.546
flat angles C4'-P-C4' energy: -171.755
flat angles P-C4'-P energy: -109.685
tors. eta vs tors. theta energy: -231.908
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2261.252393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.252393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.985252 (E_RNA)
where:
Base-Base interactions energy: -1514.945
where: short stacking energy: -690.420
Base-Backbone interact. energy: -0.744
local terms energy: -749.295650
where:
bonds (distance) C4'-P energy: -142.987
bonds (distance) P-C4' energy: -147.204
flat angles C4'-P-C4' energy: -176.584
flat angles P-C4'-P energy: -96.308
tors. eta vs tors. theta energy: -186.213
Dist. restrs. and SS energy: 3.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2182.483505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.483505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.036513 (E_RNA)
where:
Base-Base interactions energy: -1459.325
where: short stacking energy: -622.783
Base-Backbone interact. energy: -0.683
local terms energy: -725.028006
where:
bonds (distance) C4'-P energy: -134.508
bonds (distance) P-C4' energy: -141.318
flat angles C4'-P-C4' energy: -166.026
flat angles P-C4'-P energy: -114.811
tors. eta vs tors. theta energy: -168.366
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2188.319045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.319045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.166966 (E_RNA)
where:
Base-Base interactions energy: -1463.414
where: short stacking energy: -640.746
Base-Backbone interact. energy: 1.353
local terms energy: -728.106153
where:
bonds (distance) C4'-P energy: -144.908
bonds (distance) P-C4' energy: -132.941
flat angles C4'-P-C4' energy: -160.000
flat angles P-C4'-P energy: -91.356
tors. eta vs tors. theta energy: -198.901
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: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1987.716166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.716166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.982852 (E_RNA)
where:
Base-Base interactions energy: -1333.918
where: short stacking energy: -562.577
Base-Backbone interact. energy: -0.569
local terms energy: -655.495519
where:
bonds (distance) C4'-P energy: -141.848
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -151.215
flat angles P-C4'-P energy: -85.824
tors. eta vs tors. theta energy: -146.185
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: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1942.491764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.491764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.178708 (E_RNA)
where:
Base-Base interactions energy: -1342.802
where: short stacking energy: -541.855
Base-Backbone interact. energy: -2.086
local terms energy: -599.290668
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -115.604
flat angles C4'-P-C4' energy: -144.904
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -145.728
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: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1876.052590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.052590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.128575 (E_RNA)
where:
Base-Base interactions energy: -1287.937
where: short stacking energy: -547.959
Base-Backbone interact. energy: 0.825
local terms energy: -593.016865
where:
bonds (distance) C4'-P energy: -113.200
bonds (distance) P-C4' energy: -116.832
flat angles C4'-P-C4' energy: -149.757
flat angles P-C4'-P energy: -84.056
tors. eta vs tors. theta energy: -129.172
Dist. restrs. and SS energy: 4.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2862.107346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.107346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.212514 (E_RNA)
where:
Base-Base interactions energy: -1975.495
where: short stacking energy: -824.615
Base-Backbone interact. energy: -3.675
local terms energy: -884.042321
where:
bonds (distance) C4'-P energy: -169.201
bonds (distance) P-C4' energy: -163.080
flat angles C4'-P-C4' energy: -180.926
flat angles P-C4'-P energy: -120.625
tors. eta vs tors. theta energy: -250.211
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2717.250522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.250522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.747225 (E_RNA)
where:
Base-Base interactions energy: -1855.571
where: short stacking energy: -808.150
Base-Backbone interact. energy: -3.266
local terms energy: -861.910443
where:
bonds (distance) C4'-P energy: -157.785
bonds (distance) P-C4' energy: -160.814
flat angles C4'-P-C4' energy: -180.048
flat angles P-C4'-P energy: -127.708
tors. eta vs tors. theta energy: -235.557
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2591.725925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.725925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.228539 (E_RNA)
where:
Base-Base interactions energy: -1758.885
where: short stacking energy: -763.160
Base-Backbone interact. energy: -2.073
local terms energy: -832.270057
where:
bonds (distance) C4'-P energy: -153.582
bonds (distance) P-C4' energy: -165.549
flat angles C4'-P-C4' energy: -172.309
flat angles P-C4'-P energy: -117.008
tors. eta vs tors. theta energy: -223.821
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2501.414007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.414007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.315389 (E_RNA)
where:
Base-Base interactions energy: -1690.079
where: short stacking energy: -725.972
Base-Backbone interact. energy: -2.156
local terms energy: -811.079771
where:
bonds (distance) C4'-P energy: -158.474
bonds (distance) P-C4' energy: -144.463
flat angles C4'-P-C4' energy: -173.306
flat angles P-C4'-P energy: -125.759
tors. eta vs tors. theta energy: -209.077
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: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2243.774663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.774663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.197939 (E_RNA)
where:
Base-Base interactions energy: -1535.502
where: short stacking energy: -656.653
Base-Backbone interact. energy: -4.335
local terms energy: -705.361218
where:
bonds (distance) C4'-P energy: -125.078
bonds (distance) P-C4' energy: -150.658
flat angles C4'-P-C4' energy: -155.755
flat angles P-C4'-P energy: -97.128
tors. eta vs tors. theta energy: -176.743
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: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2166.929748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.929748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.577158 (E_RNA)
where:
Base-Base interactions energy: -1459.626
where: short stacking energy: -611.625
Base-Backbone interact. energy: -1.455
local terms energy: -707.495979
where:
bonds (distance) C4'-P energy: -139.417
bonds (distance) P-C4' energy: -137.767
flat angles C4'-P-C4' energy: -157.756
flat angles P-C4'-P energy: -97.608
tors. eta vs tors. theta energy: -174.948
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2155.401204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.401204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.306575 (E_RNA)
where:
Base-Base interactions energy: -1499.234
where: short stacking energy: -644.914
Base-Backbone interact. energy: -0.910
local terms energy: -657.162376
where:
bonds (distance) C4'-P energy: -113.794
bonds (distance) P-C4' energy: -126.965
flat angles C4'-P-C4' energy: -141.593
flat angles P-C4'-P energy: -94.764
tors. eta vs tors. theta energy: -180.046
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: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2014.262533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.262533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.185462 (E_RNA)
where:
Base-Base interactions energy: -1369.244
where: short stacking energy: -576.391
Base-Backbone interact. energy: 4.454
local terms energy: -652.396126
where:
bonds (distance) C4'-P energy: -136.147
bonds (distance) P-C4' energy: -135.914
flat angles C4'-P-C4' energy: -140.990
flat angles P-C4'-P energy: -84.442
tors. eta vs tors. theta energy: -154.903
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: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1949.286377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.286377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.173890 (E_RNA)
where:
Base-Base interactions energy: -1342.128
where: short stacking energy: -558.883
Base-Backbone interact. energy: 1.221
local terms energy: -611.266826
where:
bonds (distance) C4'-P energy: -115.930
bonds (distance) P-C4' energy: -114.715
flat angles C4'-P-C4' energy: -149.450
flat angles P-C4'-P energy: -83.993
tors. eta vs tors. theta energy: -147.179
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: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1871.966060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.966060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.123023 (E_RNA)
where:
Base-Base interactions energy: -1261.362
where: short stacking energy: -527.686
Base-Backbone interact. energy: 1.432
local terms energy: -615.193136
where:
bonds (distance) C4'-P energy: -104.194
bonds (distance) P-C4' energy: -135.386
flat angles C4'-P-C4' energy: -150.069
flat angles P-C4'-P energy: -91.466
tors. eta vs tors. theta energy: -134.078
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2845.769303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.769303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.524661 (E_RNA)
where:
Base-Base interactions energy: -1983.173
where: short stacking energy: -821.878
Base-Backbone interact. energy: -0.761
local terms energy: -863.590800
where:
bonds (distance) C4'-P energy: -154.259
bonds (distance) P-C4' energy: -166.368
flat angles C4'-P-C4' energy: -181.934
flat angles P-C4'-P energy: -123.861
tors. eta vs tors. theta energy: -237.169
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2728.153723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.153723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.378714 (E_RNA)
where:
Base-Base interactions energy: -1899.718
where: short stacking energy: -783.273
Base-Backbone interact. energy: -1.576
local terms energy: -829.085432
where:
bonds (distance) C4'-P energy: -160.176
bonds (distance) P-C4' energy: -157.144
flat angles C4'-P-C4' energy: -179.794
flat angles P-C4'-P energy: -107.160
tors. eta vs tors. theta energy: -224.812
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: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2585.574963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.574963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.481103 (E_RNA)
where:
Base-Base interactions energy: -1782.549
where: short stacking energy: -782.242
Base-Backbone interact. energy: 8.334
local terms energy: -813.265935
where:
bonds (distance) C4'-P energy: -132.654
bonds (distance) P-C4' energy: -173.029
flat angles C4'-P-C4' energy: -162.400
flat angles P-C4'-P energy: -118.169
tors. eta vs tors. theta energy: -227.014
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: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2528.246485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.246485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.279257 (E_RNA)
where:
Base-Base interactions energy: -1742.931
where: short stacking energy: -734.103
Base-Backbone interact. energy: -1.589
local terms energy: -785.759755
where:
bonds (distance) C4'-P energy: -136.925
bonds (distance) P-C4' energy: -151.737
flat angles C4'-P-C4' energy: -166.374
flat angles P-C4'-P energy: -104.795
tors. eta vs tors. theta energy: -225.929
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: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2303.258424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.258424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.877035 (E_RNA)
where:
Base-Base interactions energy: -1535.095
where: short stacking energy: -673.277
Base-Backbone interact. energy: -3.021
local terms energy: -766.760611
where:
bonds (distance) C4'-P energy: -138.167
bonds (distance) P-C4' energy: -164.138
flat angles C4'-P-C4' energy: -172.818
flat angles P-C4'-P energy: -106.679
tors. eta vs tors. theta energy: -184.959
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2195.273220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.273220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.228015 (E_RNA)
where:
Base-Base interactions energy: -1464.599
where: short stacking energy: -624.834
Base-Backbone interact. energy: -6.670
local terms energy: -725.959388
where:
bonds (distance) C4'-P energy: -137.030
bonds (distance) P-C4' energy: -154.010
flat angles C4'-P-C4' energy: -160.573
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -175.109
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2195.371644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.371644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.073870 (E_RNA)
where:
Base-Base interactions energy: -1480.997
where: short stacking energy: -666.958
Base-Backbone interact. energy: -2.542
local terms energy: -714.535276
where:
bonds (distance) C4'-P energy: -130.571
bonds (distance) P-C4' energy: -131.255
flat angles C4'-P-C4' energy: -154.469
flat angles P-C4'-P energy: -109.943
tors. eta vs tors. theta energy: -188.297
Dist. restrs. and SS energy: 2.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1994.417344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.417344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.012537 (E_RNA)
where:
Base-Base interactions energy: -1352.783
where: short stacking energy: -565.452
Base-Backbone interact. energy: -1.405
local terms energy: -641.825288
where:
bonds (distance) C4'-P energy: -120.341
bonds (distance) P-C4' energy: -126.439
flat angles C4'-P-C4' energy: -151.589
flat angles P-C4'-P energy: -109.708
tors. eta vs tors. theta energy: -133.748
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1951.749629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.749629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.210725 (E_RNA)
where:
Base-Base interactions energy: -1347.486
where: short stacking energy: -570.400
Base-Backbone interact. energy: -3.468
local terms energy: -603.256692
where:
bonds (distance) C4'-P energy: -120.347
bonds (distance) P-C4' energy: -106.991
flat angles C4'-P-C4' energy: -136.795
flat angles P-C4'-P energy: -93.382
tors. eta vs tors. theta energy: -145.741
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: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1864.171153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.171153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.232224 (E_RNA)
where:
Base-Base interactions energy: -1283.192
where: short stacking energy: -522.722
Base-Backbone interact. energy: 9.505
local terms energy: -592.545864
where:
bonds (distance) C4'-P energy: -132.696
bonds (distance) P-C4' energy: -124.414
flat angles C4'-P-C4' energy: -141.108
flat angles P-C4'-P energy: -72.811
tors. eta vs tors. theta energy: -121.516
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: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2835.920115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.920115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.951848 (E_RNA)
where:
Base-Base interactions energy: -1966.559
where: short stacking energy: -846.881
Base-Backbone interact. energy: -4.816
local terms energy: -865.576389
where:
bonds (distance) C4'-P energy: -138.143
bonds (distance) P-C4' energy: -147.692
flat angles C4'-P-C4' energy: -198.897
flat angles P-C4'-P energy: -129.702
tors. eta vs tors. theta energy: -251.142
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: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2734.302747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.302747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.928357 (E_RNA)
where:
Base-Base interactions energy: -1910.914
where: short stacking energy: -823.043
Base-Backbone interact. energy: 0.454
local terms energy: -826.468055
where:
bonds (distance) C4'-P energy: -144.589
bonds (distance) P-C4' energy: -167.951
flat angles C4'-P-C4' energy: -162.300
flat angles P-C4'-P energy: -116.611
tors. eta vs tors. theta energy: -235.017
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2571.193963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.193963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.501141 (E_RNA)
where:
Base-Base interactions energy: -1764.840
where: short stacking energy: -771.903
Base-Backbone interact. energy: -3.338
local terms energy: -804.322714
where:
bonds (distance) C4'-P energy: -148.757
bonds (distance) P-C4' energy: -150.253
flat angles C4'-P-C4' energy: -170.782
flat angles P-C4'-P energy: -114.113
tors. eta vs tors. theta energy: -220.418
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2567.232307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.232307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.071236 (E_RNA)
where:
Base-Base interactions energy: -1737.353
where: short stacking energy: -749.167
Base-Backbone interact. energy: 3.347
local terms energy: -835.065505
where:
bonds (distance) C4'-P energy: -166.526
bonds (distance) P-C4' energy: -146.200
flat angles C4'-P-C4' energy: -168.235
flat angles P-C4'-P energy: -125.425
tors. eta vs tors. theta energy: -228.679
Dist. restrs. and SS energy: 1.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2302.348105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.348105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.226361 (E_RNA)
where:
Base-Base interactions energy: -1544.319
where: short stacking energy: -650.446
Base-Backbone interact. energy: -0.297
local terms energy: -760.611083
where:
bonds (distance) C4'-P energy: -142.455
bonds (distance) P-C4' energy: -143.506
flat angles C4'-P-C4' energy: -162.533
flat angles P-C4'-P energy: -124.359
tors. eta vs tors. theta energy: -187.758
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2203.693936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.693936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.755042 (E_RNA)
where:
Base-Base interactions energy: -1490.831
where: short stacking energy: -647.578
Base-Backbone interact. energy: 1.893
local terms energy: -716.816660
where:
bonds (distance) C4'-P energy: -140.338
bonds (distance) P-C4' energy: -154.767
flat angles C4'-P-C4' energy: -163.810
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -186.948
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2132.192160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.192160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.763464 (E_RNA)
where:
Base-Base interactions energy: -1443.395
where: short stacking energy: -619.604
Base-Backbone interact. energy: -1.179
local terms energy: -691.189331
where:
bonds (distance) C4'-P energy: -150.980
bonds (distance) P-C4' energy: -125.355
flat angles C4'-P-C4' energy: -166.303
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -172.473
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: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2022.120104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.120104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.668457 (E_RNA)
where:
Base-Base interactions energy: -1387.034
where: short stacking energy: -576.697
Base-Backbone interact. energy: 0.524
local terms energy: -639.159076
where:
bonds (distance) C4'-P energy: -102.265
bonds (distance) P-C4' energy: -129.137
flat angles C4'-P-C4' energy: -151.581
flat angles P-C4'-P energy: -101.602
tors. eta vs tors. theta energy: -154.574
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1929.257731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.257731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.553062 (E_RNA)
where:
Base-Base interactions energy: -1330.097
where: short stacking energy: -543.843
Base-Backbone interact. energy: 1.569
local terms energy: -603.024649
where:
bonds (distance) C4'-P energy: -134.165
bonds (distance) P-C4' energy: -120.921
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -64.640
tors. eta vs tors. theta energy: -143.690
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1881.176447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.176447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.694520 (E_RNA)
where:
Base-Base interactions energy: -1290.101
where: short stacking energy: -540.004
Base-Backbone interact. energy: 3.041
local terms energy: -596.634086
where:
bonds (distance) C4'-P energy: -97.181
bonds (distance) P-C4' energy: -137.475
flat angles C4'-P-C4' energy: -135.085
flat angles P-C4'-P energy: -93.594
tors. eta vs tors. theta energy: -133.298
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: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2856.767487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.767487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.633177 (E_RNA)
where:
Base-Base interactions energy: -1950.264
where: short stacking energy: -847.888
Base-Backbone interact. energy: 1.959
local terms energy: -909.328915
where:
bonds (distance) C4'-P energy: -175.382
bonds (distance) P-C4' energy: -161.564
flat angles C4'-P-C4' energy: -187.834
flat angles P-C4'-P energy: -135.152
tors. eta vs tors. theta energy: -249.397
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2715.772873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.772873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.880823 (E_RNA)
where:
Base-Base interactions energy: -1872.609
where: short stacking energy: -798.649
Base-Backbone interact. energy: -3.887
local terms energy: -840.385263
where:
bonds (distance) C4'-P energy: -165.007
bonds (distance) P-C4' energy: -160.014
flat angles C4'-P-C4' energy: -178.248
flat angles P-C4'-P energy: -123.697
tors. eta vs tors. theta energy: -213.420
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2593.070968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.070968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.355433 (E_RNA)
where:
Base-Base interactions energy: -1767.832
where: short stacking energy: -769.353
Base-Backbone interact. energy: 0.296
local terms energy: -827.818700
where:
bonds (distance) C4'-P energy: -156.325
bonds (distance) P-C4' energy: -152.526
flat angles C4'-P-C4' energy: -178.679
flat angles P-C4'-P energy: -119.804
tors. eta vs tors. theta energy: -220.486
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2585.163336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.163336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.783559 (E_RNA)
where:
Base-Base interactions energy: -1776.366
where: short stacking energy: -744.745
Base-Backbone interact. energy: -0.640
local terms energy: -811.777012
where:
bonds (distance) C4'-P energy: -152.159
bonds (distance) P-C4' energy: -149.978
flat angles C4'-P-C4' energy: -177.378
flat angles P-C4'-P energy: -102.431
tors. eta vs tors. theta energy: -229.830
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: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2277.210713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.210713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.676028 (E_RNA)
where:
Base-Base interactions energy: -1522.007
where: short stacking energy: -674.282
Base-Backbone interact. energy: -0.923
local terms energy: -756.746289
where:
bonds (distance) C4'-P energy: -155.336
bonds (distance) P-C4' energy: -144.328
flat angles C4'-P-C4' energy: -153.737
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -189.552
Dist. restrs. and SS energy: 2.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2298.475382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.475382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.522092 (E_RNA)
where:
Base-Base interactions energy: -1539.799
where: short stacking energy: -685.015
Base-Backbone interact. energy: -3.761
local terms energy: -756.962322
where:
bonds (distance) C4'-P energy: -145.594
bonds (distance) P-C4' energy: -144.891
flat angles C4'-P-C4' energy: -182.938
flat angles P-C4'-P energy: -97.524
tors. eta vs tors. theta energy: -186.015
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2049.875244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.875244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.819820 (E_RNA)
where:
Base-Base interactions energy: -1395.434
where: short stacking energy: -611.054
Base-Backbone interact. energy: -1.402
local terms energy: -654.984193
where:
bonds (distance) C4'-P energy: -127.491
bonds (distance) P-C4' energy: -133.954
flat angles C4'-P-C4' energy: -152.547
flat angles P-C4'-P energy: -87.380
tors. eta vs tors. theta energy: -153.612
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: 160
Temperature: 1.250000
Total energy: -2081.587179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.587179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.875898 (E_RNA)
where:
Base-Base interactions energy: -1385.116
where: short stacking energy: -574.223
Base-Backbone interact. energy: 1.310
local terms energy: -701.070170
where:
bonds (distance) C4'-P energy: -137.884
bonds (distance) P-C4' energy: -134.931
flat angles C4'-P-C4' energy: -168.939
flat angles P-C4'-P energy: -100.821
tors. eta vs tors. theta energy: -158.496
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: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1917.096352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.096352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.295644 (E_RNA)
where:
Base-Base interactions energy: -1320.712
where: short stacking energy: -573.559
Base-Backbone interact. energy: 3.896
local terms energy: -602.480005
where:
bonds (distance) C4'-P energy: -89.516
bonds (distance) P-C4' energy: -129.545
flat angles C4'-P-C4' energy: -140.705
flat angles P-C4'-P energy: -93.269
tors. eta vs tors. theta energy: -149.445
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: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1921.866083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.866083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.807326 (E_RNA)
where:
Base-Base interactions energy: -1312.254
where: short stacking energy: -554.315
Base-Backbone interact. energy: -2.737
local terms energy: -609.816716
where:
bonds (distance) C4'-P energy: -122.617
bonds (distance) P-C4' energy: -126.438
flat angles C4'-P-C4' energy: -148.071
flat angles P-C4'-P energy: -80.215
tors. eta vs tors. theta energy: -132.476
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2876.376663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.376663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.280745 (E_RNA)
where:
Base-Base interactions energy: -1986.778
where: short stacking energy: -851.486
Base-Backbone interact. energy: -2.179
local terms energy: -889.323752
where:
bonds (distance) C4'-P energy: -160.926
bonds (distance) P-C4' energy: -156.165
flat angles C4'-P-C4' energy: -189.014
flat angles P-C4'-P energy: -123.042
tors. eta vs tors. theta energy: -260.177
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: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2723.436814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.436814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.113815 (E_RNA)
where:
Base-Base interactions energy: -1881.338
where: short stacking energy: -783.607
Base-Backbone interact. energy: -4.209
local terms energy: -839.567077
where:
bonds (distance) C4'-P energy: -156.770
bonds (distance) P-C4' energy: -155.853
flat angles C4'-P-C4' energy: -178.930
flat angles P-C4'-P energy: -129.168
tors. eta vs tors. theta energy: -218.846
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: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2609.875293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.875293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.283260 (E_RNA)
where:
Base-Base interactions energy: -1771.416
where: short stacking energy: -773.770
Base-Backbone interact. energy: -3.405
local terms energy: -837.462401
where:
bonds (distance) C4'-P energy: -168.595
bonds (distance) P-C4' energy: -161.371
flat angles C4'-P-C4' energy: -173.794
flat angles P-C4'-P energy: -109.526
tors. eta vs tors. theta energy: -224.177
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: 161
Temperature: 1.050000
Total energy: -2570.906188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.906188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.551849 (E_RNA)
where:
Base-Base interactions energy: -1765.932
where: short stacking energy: -743.574
Base-Backbone interact. energy: 0.136
local terms energy: -806.755273
where:
bonds (distance) C4'-P energy: -136.283
bonds (distance) P-C4' energy: -155.814
flat angles C4'-P-C4' energy: -169.528
flat angles P-C4'-P energy: -117.314
tors. eta vs tors. theta energy: -227.816
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2277.247209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.247209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.779414 (E_RNA)
where:
Base-Base interactions energy: -1523.971
where: short stacking energy: -677.784
Base-Backbone interact. energy: -0.122
local terms energy: -754.686654
where:
bonds (distance) C4'-P energy: -146.322
bonds (distance) P-C4' energy: -146.298
flat angles C4'-P-C4' energy: -162.236
flat angles P-C4'-P energy: -115.320
tors. eta vs tors. theta energy: -184.511
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2257.553658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.553658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.279754 (E_RNA)
where:
Base-Base interactions energy: -1524.266
where: short stacking energy: -646.071
Base-Backbone interact. energy: -4.080
local terms energy: -730.933510
where:
bonds (distance) C4'-P energy: -138.706
bonds (distance) P-C4' energy: -139.678
flat angles C4'-P-C4' energy: -166.710
flat angles P-C4'-P energy: -92.606
tors. eta vs tors. theta energy: -193.233
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -2104.936334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.936334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.795718 (E_RNA)
where:
Base-Base interactions energy: -1413.818
where: short stacking energy: -625.491
Base-Backbone interact. energy: -0.938
local terms energy: -692.039354
where:
bonds (distance) C4'-P energy: -124.935
bonds (distance) P-C4' energy: -153.346
flat angles C4'-P-C4' energy: -159.370
flat angles P-C4'-P energy: -88.945
tors. eta vs tors. theta energy: -165.443
Dist. restrs. and SS energy: 1.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -2017.562672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.562672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.597106 (E_RNA)
where:
Base-Base interactions energy: -1366.394
where: short stacking energy: -562.771
Base-Backbone interact. energy: 0.221
local terms energy: -654.424129
where:
bonds (distance) C4'-P energy: -127.618
bonds (distance) P-C4' energy: -128.159
flat angles C4'-P-C4' energy: -155.290
flat angles P-C4'-P energy: -94.821
tors. eta vs tors. theta energy: -148.536
Dist. restrs. and SS energy: 3.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1903.949450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.949450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.675636 (E_RNA)
where:
Base-Base interactions energy: -1306.579
where: short stacking energy: -553.394
Base-Backbone interact. energy: 0.148
local terms energy: -600.244519
where:
bonds (distance) C4'-P energy: -128.456
bonds (distance) P-C4' energy: -140.453
flat angles C4'-P-C4' energy: -122.872
flat angles P-C4'-P energy: -73.153
tors. eta vs tors. theta energy: -135.310
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1874.433370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.433370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.353191 (E_RNA)
where:
Base-Base interactions energy: -1274.228
where: short stacking energy: -517.888
Base-Backbone interact. energy: 4.433
local terms energy: -607.558621
where:
bonds (distance) C4'-P energy: -120.705
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -137.018
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -142.659
Dist. restrs. and SS energy: 2.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2863.791754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.791754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.336553 (E_RNA)
where:
Base-Base interactions energy: -1972.616
where: short stacking energy: -848.535
Base-Backbone interact. energy: -2.818
local terms energy: -889.902854
where:
bonds (distance) C4'-P energy: -159.656
bonds (distance) P-C4' energy: -165.642
flat angles C4'-P-C4' energy: -179.259
flat angles P-C4'-P energy: -137.348
tors. eta vs tors. theta energy: -247.997
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2724.536021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.536021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.062194 (E_RNA)
where:
Base-Base interactions energy: -1897.508
where: short stacking energy: -789.921
Base-Backbone interact. energy: -0.967
local terms energy: -827.587422
where:
bonds (distance) C4'-P energy: -148.813
bonds (distance) P-C4' energy: -157.226
flat angles C4'-P-C4' energy: -176.864
flat angles P-C4'-P energy: -122.586
tors. eta vs tors. theta energy: -222.098
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: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2572.819031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.819031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.923171 (E_RNA)
where:
Base-Base interactions energy: -1770.396
where: short stacking energy: -758.601
Base-Backbone interact. energy: -3.906
local terms energy: -800.621665
where:
bonds (distance) C4'-P energy: -142.589
bonds (distance) P-C4' energy: -149.761
flat angles C4'-P-C4' energy: -185.455
flat angles P-C4'-P energy: -114.615
tors. eta vs tors. theta energy: -208.201
Dist. restrs. and SS energy: 2.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2529.388987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.388987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.507557 (E_RNA)
where:
Base-Base interactions energy: -1711.365
where: short stacking energy: -754.940
Base-Backbone interact. energy: 3.946
local terms energy: -823.088243
where:
bonds (distance) C4'-P energy: -150.281
bonds (distance) P-C4' energy: -156.826
flat angles C4'-P-C4' energy: -175.340
flat angles P-C4'-P energy: -122.342
tors. eta vs tors. theta energy: -218.298
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2334.341236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.341236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.516191 (E_RNA)
where:
Base-Base interactions energy: -1578.673
where: short stacking energy: -669.335
Base-Backbone interact. energy: 1.729
local terms energy: -759.572715
where:
bonds (distance) C4'-P energy: -140.154
bonds (distance) P-C4' energy: -153.742
flat angles C4'-P-C4' energy: -160.526
flat angles P-C4'-P energy: -109.757
tors. eta vs tors. theta energy: -195.393
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2223.203053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.203053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.282728 (E_RNA)
where:
Base-Base interactions energy: -1510.088
where: short stacking energy: -649.012
Base-Backbone interact. energy: -5.488
local terms energy: -710.706490
where:
bonds (distance) C4'-P energy: -138.959
bonds (distance) P-C4' energy: -148.098
flat angles C4'-P-C4' energy: -157.833
flat angles P-C4'-P energy: -100.117
tors. eta vs tors. theta energy: -165.699
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: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2116.919044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.919044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.875626 (E_RNA)
where:
Base-Base interactions energy: -1413.871
where: short stacking energy: -619.208
Base-Backbone interact. energy: -0.247
local terms energy: -706.756778
where:
bonds (distance) C4'-P energy: -128.199
bonds (distance) P-C4' energy: -159.851
flat angles C4'-P-C4' energy: -145.166
flat angles P-C4'-P energy: -90.870
tors. eta vs tors. theta energy: -182.671
Dist. restrs. and SS energy: 3.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2040.254975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.254975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.236689 (E_RNA)
where:
Base-Base interactions energy: -1369.544
where: short stacking energy: -571.703
Base-Backbone interact. energy: 1.291
local terms energy: -673.984084
where:
bonds (distance) C4'-P energy: -131.959
bonds (distance) P-C4' energy: -142.619
flat angles C4'-P-C4' energy: -164.870
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -153.687
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: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1938.747394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.747394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.537097 (E_RNA)
where:
Base-Base interactions energy: -1306.063
where: short stacking energy: -533.449
Base-Backbone interact. energy: 1.823
local terms energy: -636.297120
where:
bonds (distance) C4'-P energy: -141.685
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -141.154
flat angles P-C4'-P energy: -107.344
tors. eta vs tors. theta energy: -120.064
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: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1890.317222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.317222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.242037 (E_RNA)
where:
Base-Base interactions energy: -1285.229
where: short stacking energy: -540.955
Base-Backbone interact. energy: -2.065
local terms energy: -605.947662
where:
bonds (distance) C4'-P energy: -124.283
bonds (distance) P-C4' energy: -115.816
flat angles C4'-P-C4' energy: -137.063
flat angles P-C4'-P energy: -88.211
tors. eta vs tors. theta energy: -140.574
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: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2882.952656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.952656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.849982 (E_RNA)
where:
Base-Base interactions energy: -1968.855
where: short stacking energy: -835.921
Base-Backbone interact. energy: -3.537
local terms energy: -912.458120
where:
bonds (distance) C4'-P energy: -162.705
bonds (distance) P-C4' energy: -178.540
flat angles C4'-P-C4' energy: -185.441
flat angles P-C4'-P energy: -135.864
tors. eta vs tors. theta energy: -249.907
Dist. restrs. and SS energy: 1.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2734.039148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.039148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.034742 (E_RNA)
where:
Base-Base interactions energy: -1896.586
where: short stacking energy: -801.511
Base-Backbone interact. energy: -2.268
local terms energy: -836.180684
where:
bonds (distance) C4'-P energy: -167.637
bonds (distance) P-C4' energy: -164.791
flat angles C4'-P-C4' energy: -164.652
flat angles P-C4'-P energy: -117.572
tors. eta vs tors. theta energy: -221.529
Dist. restrs. and SS energy: 0.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2603.496077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.496077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.331103 (E_RNA)
where:
Base-Base interactions energy: -1753.420
where: short stacking energy: -746.249
Base-Backbone interact. energy: -2.536
local terms energy: -849.374910
where:
bonds (distance) C4'-P energy: -129.180
bonds (distance) P-C4' energy: -178.377
flat angles C4'-P-C4' energy: -182.123
flat angles P-C4'-P energy: -126.533
tors. eta vs tors. theta energy: -233.162
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: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2504.838712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.838712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.385997 (E_RNA)
where:
Base-Base interactions energy: -1725.807
where: short stacking energy: -710.711
Base-Backbone interact. energy: 0.454
local terms energy: -781.032910
where:
bonds (distance) C4'-P energy: -134.613
bonds (distance) P-C4' energy: -142.505
flat angles C4'-P-C4' energy: -168.523
flat angles P-C4'-P energy: -121.891
tors. eta vs tors. theta energy: -213.501
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: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2351.145094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.145094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.580018 (E_RNA)
where:
Base-Base interactions energy: -1582.402
where: short stacking energy: -696.275
Base-Backbone interact. energy: -2.356
local terms energy: -768.821715
where:
bonds (distance) C4'-P energy: -131.042
bonds (distance) P-C4' energy: -147.218
flat angles C4'-P-C4' energy: -160.716
flat angles P-C4'-P energy: -115.281
tors. eta vs tors. theta energy: -214.564
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: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2179.743090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.743090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.038797 (E_RNA)
where:
Base-Base interactions energy: -1479.802
where: short stacking energy: -633.709
Base-Backbone interact. energy: -3.316
local terms energy: -699.920796
where:
bonds (distance) C4'-P energy: -138.167
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -131.133
flat angles P-C4'-P energy: -111.452
tors. eta vs tors. theta energy: -177.291
Dist. restrs. and SS energy: 3.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2162.693469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.693469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.464916 (E_RNA)
where:
Base-Base interactions energy: -1470.898
where: short stacking energy: -638.039
Base-Backbone interact. energy: 2.470
local terms energy: -697.036852
where:
bonds (distance) C4'-P energy: -124.777
bonds (distance) P-C4' energy: -142.388
flat angles C4'-P-C4' energy: -159.359
flat angles P-C4'-P energy: -102.268
tors. eta vs tors. theta energy: -168.244
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: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2018.321209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.321209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.094111 (E_RNA)
where:
Base-Base interactions energy: -1358.138
where: short stacking energy: -581.536
Base-Backbone interact. energy: 1.054
local terms energy: -663.010341
where:
bonds (distance) C4'-P energy: -122.088
bonds (distance) P-C4' energy: -124.696
flat angles C4'-P-C4' energy: -154.482
flat angles P-C4'-P energy: -106.484
tors. eta vs tors. theta energy: -155.260
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: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2006.948879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.948879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.898150 (E_RNA)
where:
Base-Base interactions energy: -1360.317
where: short stacking energy: -570.412
Base-Backbone interact. energy: -1.126
local terms energy: -646.454917
where:
bonds (distance) C4'-P energy: -120.315
bonds (distance) P-C4' energy: -134.095
flat angles C4'-P-C4' energy: -147.302
flat angles P-C4'-P energy: -80.333
tors. eta vs tors. theta energy: -164.409
Dist. restrs. and SS energy: 0.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1862.585455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.585455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.255929 (E_RNA)
where:
Base-Base interactions energy: -1294.611
where: short stacking energy: -545.843
Base-Backbone interact. energy: 1.959
local terms energy: -573.603663
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -121.352
flat angles C4'-P-C4' energy: -122.471
flat angles P-C4'-P energy: -62.379
tors. eta vs tors. theta energy: -137.583
Dist. restrs. and SS energy: 3.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2837.548474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.548474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.594429 (E_RNA)
where:
Base-Base interactions energy: -1940.503
where: short stacking energy: -844.195
Base-Backbone interact. energy: -2.482
local terms energy: -895.609329
where:
bonds (distance) C4'-P energy: -167.562
bonds (distance) P-C4' energy: -165.954
flat angles C4'-P-C4' energy: -188.217
flat angles P-C4'-P energy: -125.816
tors. eta vs tors. theta energy: -248.059
Dist. restrs. and SS energy: 1.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2745.006916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.006916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.929735 (E_RNA)
where:
Base-Base interactions energy: -1899.667
where: short stacking energy: -794.186
Base-Backbone interact. energy: -1.109
local terms energy: -846.153698
where:
bonds (distance) C4'-P energy: -156.619
bonds (distance) P-C4' energy: -157.076
flat angles C4'-P-C4' energy: -178.324
flat angles P-C4'-P energy: -121.208
tors. eta vs tors. theta energy: -232.927
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: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2622.528454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.528454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.102958 (E_RNA)
where:
Base-Base interactions energy: -1799.387
where: short stacking energy: -767.807
Base-Backbone interact. energy: -4.887
local terms energy: -819.828700
where:
bonds (distance) C4'-P energy: -135.557
bonds (distance) P-C4' energy: -154.914
flat angles C4'-P-C4' energy: -188.312
flat angles P-C4'-P energy: -118.623
tors. eta vs tors. theta energy: -222.423
Dist. restrs. and SS energy: 1.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2486.363797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.363797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.104501 (E_RNA)
where:
Base-Base interactions energy: -1678.559
where: short stacking energy: -727.336
Base-Backbone interact. energy: -0.288
local terms energy: -809.258183
where:
bonds (distance) C4'-P energy: -154.933
bonds (distance) P-C4' energy: -147.329
flat angles C4'-P-C4' energy: -172.647
flat angles P-C4'-P energy: -124.429
tors. eta vs tors. theta energy: -209.920
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: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2333.076827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.076827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.455796 (E_RNA)
where:
Base-Base interactions energy: -1591.352
where: short stacking energy: -686.120
Base-Backbone interact. energy: -0.385
local terms energy: -743.719080
where:
bonds (distance) C4'-P energy: -131.751
bonds (distance) P-C4' energy: -150.323
flat angles C4'-P-C4' energy: -157.916
flat angles P-C4'-P energy: -119.992
tors. eta vs tors. theta energy: -183.737
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: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2210.161222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.161222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.360995 (E_RNA)
where:
Base-Base interactions energy: -1470.588
where: short stacking energy: -641.041
Base-Backbone interact. energy: -2.809
local terms energy: -739.964190
where:
bonds (distance) C4'-P energy: -142.364
bonds (distance) P-C4' energy: -150.041
flat angles C4'-P-C4' energy: -165.645
flat angles P-C4'-P energy: -106.049
tors. eta vs tors. theta energy: -175.866
Dist. restrs. and SS energy: 3.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2158.736979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.736979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.194834 (E_RNA)
where:
Base-Base interactions energy: -1478.208
where: short stacking energy: -635.446
Base-Backbone interact. energy: 2.386
local terms energy: -685.373190
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -135.897
flat angles C4'-P-C4' energy: -158.129
flat angles P-C4'-P energy: -87.591
tors. eta vs tors. theta energy: -176.646
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: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2016.499759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.499759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.883337 (E_RNA)
where:
Base-Base interactions energy: -1373.265
where: short stacking energy: -607.361
Base-Backbone interact. energy: 0.677
local terms energy: -648.295113
where:
bonds (distance) C4'-P energy: -141.828
bonds (distance) P-C4' energy: -117.358
flat angles C4'-P-C4' energy: -141.698
flat angles P-C4'-P energy: -97.842
tors. eta vs tors. theta energy: -149.569
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: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -2034.479975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.479975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.436930 (E_RNA)
where:
Base-Base interactions energy: -1367.107
where: short stacking energy: -581.517
Base-Backbone interact. energy: -1.299
local terms energy: -668.030814
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -149.578
flat angles C4'-P-C4' energy: -137.607
flat angles P-C4'-P energy: -98.283
tors. eta vs tors. theta energy: -162.392
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: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1847.146495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.146495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.297836 (E_RNA)
where:
Base-Base interactions energy: -1215.983
where: short stacking energy: -519.024
Base-Backbone interact. energy: 1.531
local terms energy: -637.845559
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -141.806
flat angles C4'-P-C4' energy: -138.885
flat angles P-C4'-P energy: -107.962
tors. eta vs tors. theta energy: -128.551
Dist. restrs. and SS energy: 5.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2885.250350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.250350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.288605 (E_RNA)
where:
Base-Base interactions energy: -1998.567
where: short stacking energy: -857.629
Base-Backbone interact. energy: 1.212
local terms energy: -888.933684
where:
bonds (distance) C4'-P energy: -168.035
bonds (distance) P-C4' energy: -159.399
flat angles C4'-P-C4' energy: -186.701
flat angles P-C4'-P energy: -122.492
tors. eta vs tors. theta energy: -252.306
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: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2773.549780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.549780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.698792 (E_RNA)
where:
Base-Base interactions energy: -1925.471
where: short stacking energy: -822.050
Base-Backbone interact. energy: 3.653
local terms energy: -853.881680
where:
bonds (distance) C4'-P energy: -160.751
bonds (distance) P-C4' energy: -152.760
flat angles C4'-P-C4' energy: -184.210
flat angles P-C4'-P energy: -117.018
tors. eta vs tors. theta energy: -239.142
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: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2604.789596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.789596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.340167 (E_RNA)
where:
Base-Base interactions energy: -1768.219
where: short stacking energy: -780.939
Base-Backbone interact. energy: -1.310
local terms energy: -837.810496
where:
bonds (distance) C4'-P energy: -159.495
bonds (distance) P-C4' energy: -158.567
flat angles C4'-P-C4' energy: -181.737
flat angles P-C4'-P energy: -110.695
tors. eta vs tors. theta energy: -227.316
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: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2507.636502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.636502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.118616 (E_RNA)
where:
Base-Base interactions energy: -1700.046
where: short stacking energy: -700.670
Base-Backbone interact. energy: -1.445
local terms energy: -808.627234
where:
bonds (distance) C4'-P energy: -154.899
bonds (distance) P-C4' energy: -152.609
flat angles C4'-P-C4' energy: -171.788
flat angles P-C4'-P energy: -114.576
tors. eta vs tors. theta energy: -214.756
Dist. restrs. and SS energy: 2.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2313.455141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.027180 (E_RNA)
where:
Base-Base interactions energy: -1559.983
where: short stacking energy: -668.805
Base-Backbone interact. energy: 6.776
local terms energy: -761.820241
where:
bonds (distance) C4'-P energy: -143.964
bonds (distance) P-C4' energy: -152.485
flat angles C4'-P-C4' energy: -156.319
flat angles P-C4'-P energy: -114.290
tors. eta vs tors. theta energy: -194.762
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2220.898754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.898754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.381884 (E_RNA)
where:
Base-Base interactions energy: -1504.514
where: short stacking energy: -659.643
Base-Backbone interact. energy: 0.429
local terms energy: -719.296985
where:
bonds (distance) C4'-P energy: -137.708
bonds (distance) P-C4' energy: -135.798
flat angles C4'-P-C4' energy: -153.460
flat angles P-C4'-P energy: -108.701
tors. eta vs tors. theta energy: -183.630
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: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2118.286261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.286261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.519840 (E_RNA)
where:
Base-Base interactions energy: -1418.727
where: short stacking energy: -621.941
Base-Backbone interact. energy: -2.613
local terms energy: -699.179151
where:
bonds (distance) C4'-P energy: -131.369
bonds (distance) P-C4' energy: -157.144
flat angles C4'-P-C4' energy: -160.260
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -168.029
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: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1982.664343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.664343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.652585 (E_RNA)
where:
Base-Base interactions energy: -1338.975
where: short stacking energy: -564.976
Base-Backbone interact. energy: -0.697
local terms energy: -644.979789
where:
bonds (distance) C4'-P energy: -126.823
bonds (distance) P-C4' energy: -136.038
flat angles C4'-P-C4' energy: -154.451
flat angles P-C4'-P energy: -74.662
tors. eta vs tors. theta energy: -153.006
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: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1983.395650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.395650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.846199 (E_RNA)
where:
Base-Base interactions energy: -1326.819
where: short stacking energy: -546.736
Base-Backbone interact. energy: -3.144
local terms energy: -656.883039
where:
bonds (distance) C4'-P energy: -117.439
bonds (distance) P-C4' energy: -139.271
flat angles C4'-P-C4' energy: -163.406
flat angles P-C4'-P energy: -101.584
tors. eta vs tors. theta energy: -135.184
Dist. restrs. and SS energy: 3.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1824.654998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.654998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.678801 (E_RNA)
where:
Base-Base interactions energy: -1235.600
where: short stacking energy: -517.514
Base-Backbone interact. energy: -5.440
local terms energy: -588.639316
where:
bonds (distance) C4'-P energy: -118.706
bonds (distance) P-C4' energy: -122.432
flat angles C4'-P-C4' energy: -144.429
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -130.316
Dist. restrs. and SS energy: 5.024 (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: 166
Temperature: 0.900000
Total energy: -2889.922178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.922178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.642067 (E_RNA)
where:
Base-Base interactions energy: -1995.868
where: short stacking energy: -856.521
Base-Backbone interact. energy: -1.560
local terms energy: -894.214983
where:
bonds (distance) C4'-P energy: -149.278
bonds (distance) P-C4' energy: -161.686
flat angles C4'-P-C4' energy: -194.405
flat angles P-C4'-P energy: -130.968
tors. eta vs tors. theta energy: -257.878
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: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2777.611745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.611745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.743723 (E_RNA)
where:
Base-Base interactions energy: -1930.117
where: short stacking energy: -822.579
Base-Backbone interact. energy: 0.609
local terms energy: -849.235785
where:
bonds (distance) C4'-P energy: -152.689
bonds (distance) P-C4' energy: -161.355
flat angles C4'-P-C4' energy: -174.312
flat angles P-C4'-P energy: -127.049
tors. eta vs tors. theta energy: -233.831
Dist. restrs. and SS energy: 1.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2559.339050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.339050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.757823 (E_RNA)
where:
Base-Base interactions energy: -1754.150
where: short stacking energy: -754.956
Base-Backbone interact. energy: 0.933
local terms energy: -808.541066
where:
bonds (distance) C4'-P energy: -154.775
bonds (distance) P-C4' energy: -158.828
flat angles C4'-P-C4' energy: -184.609
flat angles P-C4'-P energy: -95.395
tors. eta vs tors. theta energy: -214.933
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2550.232060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.232060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.447881 (E_RNA)
where:
Base-Base interactions energy: -1753.012
where: short stacking energy: -761.956
Base-Backbone interact. energy: -3.779
local terms energy: -795.656854
where:
bonds (distance) C4'-P energy: -141.067
bonds (distance) P-C4' energy: -125.001
flat angles C4'-P-C4' energy: -172.662
flat angles P-C4'-P energy: -121.544
tors. eta vs tors. theta energy: -235.383
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2374.978329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.978329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.944271 (E_RNA)
where:
Base-Base interactions energy: -1597.206
where: short stacking energy: -724.340
Base-Backbone interact. energy: -1.765
local terms energy: -777.973103
where:
bonds (distance) C4'-P energy: -144.718
bonds (distance) P-C4' energy: -154.971
flat angles C4'-P-C4' energy: -175.636
flat angles P-C4'-P energy: -108.619
tors. eta vs tors. theta energy: -194.030
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: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2190.097624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.097624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.845935 (E_RNA)
where:
Base-Base interactions energy: -1504.504
where: short stacking energy: -638.009
Base-Backbone interact. energy: 0.514
local terms energy: -688.856326
where:
bonds (distance) C4'-P energy: -120.424
bonds (distance) P-C4' energy: -150.755
flat angles C4'-P-C4' energy: -152.300
flat angles P-C4'-P energy: -94.068
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2120.332233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.332233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.276706 (E_RNA)
where:
Base-Base interactions energy: -1438.084
where: short stacking energy: -599.335
Base-Backbone interact. energy: -2.430
local terms energy: -682.762365
where:
bonds (distance) C4'-P energy: -138.117
bonds (distance) P-C4' energy: -128.465
flat angles C4'-P-C4' energy: -155.362
flat angles P-C4'-P energy: -98.805
tors. eta vs tors. theta energy: -162.014
Dist. restrs. and SS energy: 2.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2030.930596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.930596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.875428 (E_RNA)
where:
Base-Base interactions energy: -1358.382
where: short stacking energy: -583.734
Base-Backbone interact. energy: 0.121
local terms energy: -676.614424
where:
bonds (distance) C4'-P energy: -120.901
bonds (distance) P-C4' energy: -145.432
flat angles C4'-P-C4' energy: -148.212
flat angles P-C4'-P energy: -95.846
tors. eta vs tors. theta energy: -166.223
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: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1929.888522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.888522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.301100 (E_RNA)
where:
Base-Base interactions energy: -1278.942
where: short stacking energy: -541.006
Base-Backbone interact. energy: -0.562
local terms energy: -653.796742
where:
bonds (distance) C4'-P energy: -138.251
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -135.813
flat angles P-C4'-P energy: -92.255
tors. eta vs tors. theta energy: -145.051
Dist. restrs. and SS energy: 3.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1873.521031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.521031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.568117 (E_RNA)
where:
Base-Base interactions energy: -1314.255
where: short stacking energy: -544.868
Base-Backbone interact. energy: -2.013
local terms energy: -560.300030
where:
bonds (distance) C4'-P energy: -125.090
bonds (distance) P-C4' energy: -99.273
flat angles C4'-P-C4' energy: -140.482
flat angles P-C4'-P energy: -72.482
tors. eta vs tors. theta energy: -122.973
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2870.082264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.082264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.486103 (E_RNA)
where:
Base-Base interactions energy: -1974.536
where: short stacking energy: -833.989
Base-Backbone interact. energy: -4.057
local terms energy: -892.893422
where:
bonds (distance) C4'-P energy: -164.535
bonds (distance) P-C4' energy: -165.763
flat angles C4'-P-C4' energy: -190.586
flat angles P-C4'-P energy: -122.175
tors. eta vs tors. theta energy: -249.835
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2751.870445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.870445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.298221 (E_RNA)
where:
Base-Base interactions energy: -1895.331
where: short stacking energy: -812.412
Base-Backbone interact. energy: -2.624
local terms energy: -857.342509
where:
bonds (distance) C4'-P energy: -163.534
bonds (distance) P-C4' energy: -155.870
flat angles C4'-P-C4' energy: -187.502
flat angles P-C4'-P energy: -123.556
tors. eta vs tors. theta energy: -226.880
Dist. restrs. and SS energy: 3.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2517.220731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.220731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.362814 (E_RNA)
where:
Base-Base interactions energy: -1736.119
where: short stacking energy: -725.728
Base-Backbone interact. energy: 3.157
local terms energy: -786.400255
where:
bonds (distance) C4'-P energy: -151.221
bonds (distance) P-C4' energy: -147.373
flat angles C4'-P-C4' energy: -182.775
flat angles P-C4'-P energy: -112.238
tors. eta vs tors. theta energy: -192.794
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: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2533.481333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.481333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.963087 (E_RNA)
where:
Base-Base interactions energy: -1740.004
where: short stacking energy: -759.514
Base-Backbone interact. energy: -0.641
local terms energy: -794.318572
where:
bonds (distance) C4'-P energy: -144.131
bonds (distance) P-C4' energy: -159.962
flat angles C4'-P-C4' energy: -163.773
flat angles P-C4'-P energy: -112.444
tors. eta vs tors. theta energy: -214.009
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2338.428033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.428033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.289138 (E_RNA)
where:
Base-Base interactions energy: -1597.676
where: short stacking energy: -707.440
Base-Backbone interact. energy: 3.917
local terms energy: -747.529496
where:
bonds (distance) C4'-P energy: -113.819
bonds (distance) P-C4' energy: -141.300
flat angles C4'-P-C4' energy: -161.971
flat angles P-C4'-P energy: -120.885
tors. eta vs tors. theta energy: -209.556
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2226.506707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.506707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.020776 (E_RNA)
where:
Base-Base interactions energy: -1509.926
where: short stacking energy: -637.532
Base-Backbone interact. energy: -0.222
local terms energy: -717.873228
where:
bonds (distance) C4'-P energy: -140.627
bonds (distance) P-C4' energy: -159.233
flat angles C4'-P-C4' energy: -142.186
flat angles P-C4'-P energy: -101.207
tors. eta vs tors. theta energy: -174.619
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: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2122.499519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.499519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.518883 (E_RNA)
where:
Base-Base interactions energy: -1460.140
where: short stacking energy: -622.299
Base-Backbone interact. energy: -1.701
local terms energy: -663.678373
where:
bonds (distance) C4'-P energy: -127.213
bonds (distance) P-C4' energy: -118.129
flat angles C4'-P-C4' energy: -149.342
flat angles P-C4'-P energy: -93.882
tors. eta vs tors. theta energy: -175.112
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: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2029.463706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.463706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.492210 (E_RNA)
where:
Base-Base interactions energy: -1399.290
where: short stacking energy: -606.686
Base-Backbone interact. energy: 9.701
local terms energy: -641.903655
where:
bonds (distance) C4'-P energy: -122.808
bonds (distance) P-C4' energy: -134.770
flat angles C4'-P-C4' energy: -143.684
flat angles P-C4'-P energy: -84.295
tors. eta vs tors. theta energy: -156.347
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: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1958.246253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.246253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.261865 (E_RNA)
where:
Base-Base interactions energy: -1319.611
where: short stacking energy: -562.207
Base-Backbone interact. energy: -1.923
local terms energy: -639.727910
where:
bonds (distance) C4'-P energy: -121.888
bonds (distance) P-C4' energy: -136.154
flat angles C4'-P-C4' energy: -139.974
flat angles P-C4'-P energy: -84.251
tors. eta vs tors. theta energy: -157.461
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: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -1872.913262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.913262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.473800 (E_RNA)
where:
Base-Base interactions energy: -1255.270
where: short stacking energy: -535.695
Base-Backbone interact. energy: 7.185
local terms energy: -629.388727
where:
bonds (distance) C4'-P energy: -136.323
bonds (distance) P-C4' energy: -137.234
flat angles C4'-P-C4' energy: -129.690
flat angles P-C4'-P energy: -87.236
tors. eta vs tors. theta energy: -138.905
Dist. restrs. and SS energy: 4.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2881.760174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.760174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.280465 (E_RNA)
where:
Base-Base interactions energy: -1972.989
where: short stacking energy: -850.713
Base-Backbone interact. energy: -3.612
local terms energy: -906.680016
where:
bonds (distance) C4'-P energy: -168.506
bonds (distance) P-C4' energy: -160.788
flat angles C4'-P-C4' energy: -192.804
flat angles P-C4'-P energy: -135.821
tors. eta vs tors. theta energy: -248.762
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: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2786.461398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.461398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.565093 (E_RNA)
where:
Base-Base interactions energy: -1934.096
where: short stacking energy: -820.360
Base-Backbone interact. energy: 2.025
local terms energy: -855.493820
where:
bonds (distance) C4'-P energy: -137.341
bonds (distance) P-C4' energy: -171.003
flat angles C4'-P-C4' energy: -181.496
flat angles P-C4'-P energy: -128.217
tors. eta vs tors. theta energy: -237.437
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2592.034760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.034760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.416229 (E_RNA)
where:
Base-Base interactions energy: -1768.070
where: short stacking energy: -777.381
Base-Backbone interact. energy: 2.544
local terms energy: -827.889989
where:
bonds (distance) C4'-P energy: -161.182
bonds (distance) P-C4' energy: -162.876
flat angles C4'-P-C4' energy: -157.627
flat angles P-C4'-P energy: -125.876
tors. eta vs tors. theta energy: -220.329
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: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2533.385904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.385904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.181154 (E_RNA)
where:
Base-Base interactions energy: -1753.609
where: short stacking energy: -753.683
Base-Backbone interact. energy: -3.300
local terms energy: -778.272593
where:
bonds (distance) C4'-P energy: -137.319
bonds (distance) P-C4' energy: -152.999
flat angles C4'-P-C4' energy: -165.048
flat angles P-C4'-P energy: -98.795
tors. eta vs tors. theta energy: -224.111
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: 168
Temperature: 1.100000
Total energy: -2292.593204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.593204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.875589 (E_RNA)
where:
Base-Base interactions energy: -1545.246
where: short stacking energy: -678.405
Base-Backbone interact. energy: 3.663
local terms energy: -752.293233
where:
bonds (distance) C4'-P energy: -135.611
bonds (distance) P-C4' energy: -138.590
flat angles C4'-P-C4' energy: -162.579
flat angles P-C4'-P energy: -122.948
tors. eta vs tors. theta energy: -192.565
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2197.616235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.616235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.113613 (E_RNA)
where:
Base-Base interactions energy: -1477.143
where: short stacking energy: -628.175
Base-Backbone interact. energy: 1.346
local terms energy: -724.315924
where:
bonds (distance) C4'-P energy: -117.304
bonds (distance) P-C4' energy: -132.869
flat angles C4'-P-C4' energy: -173.312
flat angles P-C4'-P energy: -121.635
tors. eta vs tors. theta energy: -179.195
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: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2087.397121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.397121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.968280 (E_RNA)
where:
Base-Base interactions energy: -1412.061
where: short stacking energy: -620.834
Base-Backbone interact. energy: -1.072
local terms energy: -675.835221
where:
bonds (distance) C4'-P energy: -113.450
bonds (distance) P-C4' energy: -153.516
flat angles C4'-P-C4' energy: -150.967
flat angles P-C4'-P energy: -81.781
tors. eta vs tors. theta energy: -176.120
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: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2027.688286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.688286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.520365 (E_RNA)
where:
Base-Base interactions energy: -1384.369
where: short stacking energy: -605.245
Base-Backbone interact. energy: 0.031
local terms energy: -646.182094
where:
bonds (distance) C4'-P energy: -115.593
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -146.113
flat angles P-C4'-P energy: -90.848
tors. eta vs tors. theta energy: -159.257
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1977.475091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.475091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.638246 (E_RNA)
where:
Base-Base interactions energy: -1339.159
where: short stacking energy: -555.865
Base-Backbone interact. energy: -5.779
local terms energy: -635.700070
where:
bonds (distance) C4'-P energy: -103.990
bonds (distance) P-C4' energy: -135.094
flat angles C4'-P-C4' energy: -163.367
flat angles P-C4'-P energy: -76.522
tors. eta vs tors. theta energy: -156.727
Dist. restrs. and SS energy: 3.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1806.622091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.622091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.956149 (E_RNA)
where:
Base-Base interactions energy: -1239.170
where: short stacking energy: -496.190
Base-Backbone interact. energy: 4.302
local terms energy: -582.088503
where:
bonds (distance) C4'-P energy: -131.713
bonds (distance) P-C4' energy: -129.678
flat angles C4'-P-C4' energy: -112.525
flat angles P-C4'-P energy: -84.596
tors. eta vs tors. theta energy: -123.576
Dist. restrs. and SS energy: 10.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2887.416249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.416249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.717275 (E_RNA)
where:
Base-Base interactions energy: -1997.923
where: short stacking energy: -856.609
Base-Backbone interact. energy: -3.844
local terms energy: -886.950388
where:
bonds (distance) C4'-P energy: -151.694
bonds (distance) P-C4' energy: -170.080
flat angles C4'-P-C4' energy: -188.239
flat angles P-C4'-P energy: -126.603
tors. eta vs tors. theta energy: -250.335
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2767.511263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.511263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.217455 (E_RNA)
where:
Base-Base interactions energy: -1952.440
where: short stacking energy: -808.700
Base-Backbone interact. energy: 0.951
local terms energy: -817.728567
where:
bonds (distance) C4'-P energy: -147.771
bonds (distance) P-C4' energy: -150.384
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -112.475
tors. eta vs tors. theta energy: -227.346
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: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2624.039794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.039794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.458157 (E_RNA)
where:
Base-Base interactions energy: -1805.346
where: short stacking energy: -776.533
Base-Backbone interact. energy: 0.135
local terms energy: -820.246694
where:
bonds (distance) C4'-P energy: -152.526
bonds (distance) P-C4' energy: -145.963
flat angles C4'-P-C4' energy: -176.083
flat angles P-C4'-P energy: -122.346
tors. eta vs tors. theta energy: -223.329
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2539.163008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.163008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.101774 (E_RNA)
where:
Base-Base interactions energy: -1769.238
where: short stacking energy: -755.098
Base-Backbone interact. energy: -1.055
local terms energy: -770.809308
where:
bonds (distance) C4'-P energy: -117.206
bonds (distance) P-C4' energy: -150.994
flat angles C4'-P-C4' energy: -180.024
flat angles P-C4'-P energy: -108.941
tors. eta vs tors. theta energy: -213.644
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: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2279.392900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.392900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.895729 (E_RNA)
where:
Base-Base interactions energy: -1521.285
where: short stacking energy: -650.927
Base-Backbone interact. energy: 6.861
local terms energy: -766.471787
where:
bonds (distance) C4'-P energy: -159.411
bonds (distance) P-C4' energy: -149.179
flat angles C4'-P-C4' energy: -167.984
flat angles P-C4'-P energy: -98.670
tors. eta vs tors. theta energy: -191.227
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: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2130.585753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.585753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.843843 (E_RNA)
where:
Base-Base interactions energy: -1427.102
where: short stacking energy: -610.683
Base-Backbone interact. energy: -0.008
local terms energy: -706.733665
where:
bonds (distance) C4'-P energy: -124.774
bonds (distance) P-C4' energy: -138.094
flat angles C4'-P-C4' energy: -158.361
flat angles P-C4'-P energy: -103.321
tors. eta vs tors. theta energy: -182.183
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: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2069.155249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.155249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.823922 (E_RNA)
where:
Base-Base interactions energy: -1393.964
where: short stacking energy: -593.610
Base-Backbone interact. energy: -2.988
local terms energy: -675.872591
where:
bonds (distance) C4'-P energy: -119.905
bonds (distance) P-C4' energy: -124.157
flat angles C4'-P-C4' energy: -155.260
flat angles P-C4'-P energy: -105.002
tors. eta vs tors. theta energy: -171.549
Dist. restrs. and SS energy: 3.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -2016.953090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.953090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.396321 (E_RNA)
where:
Base-Base interactions energy: -1352.148
where: short stacking energy: -558.530
Base-Backbone interact. energy: 1.910
local terms energy: -669.158208
where:
bonds (distance) C4'-P energy: -130.504
bonds (distance) P-C4' energy: -146.692
flat angles C4'-P-C4' energy: -161.000
flat angles P-C4'-P energy: -85.134
tors. eta vs tors. theta energy: -145.828
Dist. restrs. and SS energy: 2.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1947.481761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.481761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.714728 (E_RNA)
where:
Base-Base interactions energy: -1326.396
where: short stacking energy: -579.058
Base-Backbone interact. energy: -3.785
local terms energy: -620.534504
where:
bonds (distance) C4'-P energy: -119.869
bonds (distance) P-C4' energy: -124.676
flat angles C4'-P-C4' energy: -139.044
flat angles P-C4'-P energy: -101.342
tors. eta vs tors. theta energy: -135.604
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: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1851.882595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.882595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.240208 (E_RNA)
where:
Base-Base interactions energy: -1249.904
where: short stacking energy: -541.560
Base-Backbone interact. energy: 0.392
local terms energy: -609.728116
where:
bonds (distance) C4'-P energy: -119.843
bonds (distance) P-C4' energy: -121.634
flat angles C4'-P-C4' energy: -136.886
flat angles P-C4'-P energy: -96.793
tors. eta vs tors. theta energy: -134.571
Dist. restrs. and SS energy: 7.358 (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: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2854.833186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.833186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.957780 (E_RNA)
where:
Base-Base interactions energy: -1977.043
where: short stacking energy: -856.949
Base-Backbone interact. energy: -0.999
local terms energy: -878.915748
where:
bonds (distance) C4'-P energy: -149.208
bonds (distance) P-C4' energy: -155.810
flat angles C4'-P-C4' energy: -188.264
flat angles P-C4'-P energy: -131.914
tors. eta vs tors. theta energy: -253.720
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: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2775.258459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.258459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.523503 (E_RNA)
where:
Base-Base interactions energy: -1946.157
where: short stacking energy: -809.847
Base-Backbone interact. energy: -4.928
local terms energy: -825.438374
where:
bonds (distance) C4'-P energy: -159.174
bonds (distance) P-C4' energy: -142.022
flat angles C4'-P-C4' energy: -174.471
flat angles P-C4'-P energy: -116.283
tors. eta vs tors. theta energy: -233.489
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2663.144424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.144424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.651172 (E_RNA)
where:
Base-Base interactions energy: -1819.513
where: short stacking energy: -786.302
Base-Backbone interact. energy: 7.719
local terms energy: -852.856920
where:
bonds (distance) C4'-P energy: -153.588
bonds (distance) P-C4' energy: -170.539
flat angles C4'-P-C4' energy: -172.562
flat angles P-C4'-P energy: -122.547
tors. eta vs tors. theta energy: -233.620
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2504.842662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.842662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.048138 (E_RNA)
where:
Base-Base interactions energy: -1724.204
where: short stacking energy: -738.407
Base-Backbone interact. energy: 3.353
local terms energy: -786.197508
where:
bonds (distance) C4'-P energy: -140.184
bonds (distance) P-C4' energy: -136.654
flat angles C4'-P-C4' energy: -173.449
flat angles P-C4'-P energy: -110.606
tors. eta vs tors. theta energy: -225.304
Dist. restrs. and SS energy: 2.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2337.329047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.329047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.116403 (E_RNA)
where:
Base-Base interactions energy: -1578.602
where: short stacking energy: -704.858
Base-Backbone interact. energy: -1.430
local terms energy: -759.083487
where:
bonds (distance) C4'-P energy: -147.666
bonds (distance) P-C4' energy: -138.461
flat angles C4'-P-C4' energy: -169.745
flat angles P-C4'-P energy: -105.440
tors. eta vs tors. theta energy: -197.771
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: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2179.495532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.495532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.719221 (E_RNA)
where:
Base-Base interactions energy: -1447.881
where: short stacking energy: -622.120
Base-Backbone interact. energy: -3.161
local terms energy: -730.677097
where:
bonds (distance) C4'-P energy: -158.368
bonds (distance) P-C4' energy: -134.376
flat angles C4'-P-C4' energy: -156.823
flat angles P-C4'-P energy: -113.882
tors. eta vs tors. theta energy: -167.228
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2102.045325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.045325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.197112 (E_RNA)
where:
Base-Base interactions energy: -1416.687
where: short stacking energy: -592.341
Base-Backbone interact. energy: -2.258
local terms energy: -685.252360
where:
bonds (distance) C4'-P energy: -134.719
bonds (distance) P-C4' energy: -135.938
flat angles C4'-P-C4' energy: -158.981
flat angles P-C4'-P energy: -87.030
tors. eta vs tors. theta energy: -168.586
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1974.554177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.554177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.282660 (E_RNA)
where:
Base-Base interactions energy: -1324.160
where: short stacking energy: -542.738
Base-Backbone interact. energy: 1.191
local terms energy: -654.312937
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -146.592
flat angles C4'-P-C4' energy: -137.778
flat angles P-C4'-P energy: -89.959
tors. eta vs tors. theta energy: -151.643
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: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1940.396675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.396675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.361314 (E_RNA)
where:
Base-Base interactions energy: -1349.204
where: short stacking energy: -566.354
Base-Backbone interact. energy: 0.658
local terms energy: -594.815228
where:
bonds (distance) C4'-P energy: -112.367
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -141.101
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -150.043
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1892.620404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.620404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.759444 (E_RNA)
where:
Base-Base interactions energy: -1292.805
where: short stacking energy: -509.508
Base-Backbone interact. energy: -1.696
local terms energy: -601.258243
where:
bonds (distance) C4'-P energy: -127.732
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -141.325
flat angles P-C4'-P energy: -81.880
tors. eta vs tors. theta energy: -123.460
Dist. restrs. and SS energy: 3.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2846.914577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.914577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.274676 (E_RNA)
where:
Base-Base interactions energy: -1963.512
where: short stacking energy: -840.980
Base-Backbone interact. energy: 3.583
local terms energy: -888.346110
where:
bonds (distance) C4'-P energy: -153.317
bonds (distance) P-C4' energy: -164.864
flat angles C4'-P-C4' energy: -186.528
flat angles P-C4'-P energy: -129.807
tors. eta vs tors. theta energy: -253.829
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2796.416989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.416989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.438887 (E_RNA)
where:
Base-Base interactions energy: -1927.130
where: short stacking energy: -825.441
Base-Backbone interact. energy: -3.703
local terms energy: -866.605863
where:
bonds (distance) C4'-P energy: -152.271
bonds (distance) P-C4' energy: -151.825
flat angles C4'-P-C4' energy: -178.435
flat angles P-C4'-P energy: -139.107
tors. eta vs tors. theta energy: -244.968
Dist. restrs. and SS energy: 1.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2673.366352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.366352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.145403 (E_RNA)
where:
Base-Base interactions energy: -1838.209
where: short stacking energy: -787.879
Base-Backbone interact. energy: -0.302
local terms energy: -836.634560
where:
bonds (distance) C4'-P energy: -154.738
bonds (distance) P-C4' energy: -150.326
flat angles C4'-P-C4' energy: -177.325
flat angles P-C4'-P energy: -119.840
tors. eta vs tors. theta energy: -234.407
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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2555.790124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.790124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.138182 (E_RNA)
where:
Base-Base interactions energy: -1736.893
where: short stacking energy: -743.930
Base-Backbone interact. energy: 2.146
local terms energy: -823.392082
where:
bonds (distance) C4'-P energy: -168.730
bonds (distance) P-C4' energy: -148.309
flat angles C4'-P-C4' energy: -179.237
flat angles P-C4'-P energy: -115.311
tors. eta vs tors. theta energy: -211.806
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: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2314.836185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.836185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.953871 (E_RNA)
where:
Base-Base interactions energy: -1562.785
where: short stacking energy: -699.340
Base-Backbone interact. energy: -1.816
local terms energy: -752.353523
where:
bonds (distance) C4'-P energy: -144.797
bonds (distance) P-C4' energy: -135.667
flat angles C4'-P-C4' energy: -162.399
flat angles P-C4'-P energy: -103.756
tors. eta vs tors. theta energy: -205.735
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: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2202.311095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.311095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.789131 (E_RNA)
where:
Base-Base interactions energy: -1493.954
where: short stacking energy: -665.731
Base-Backbone interact. energy: 0.165
local terms energy: -710.999770
where:
bonds (distance) C4'-P energy: -131.702
bonds (distance) P-C4' energy: -136.054
flat angles C4'-P-C4' energy: -155.105
flat angles P-C4'-P energy: -99.586
tors. eta vs tors. theta energy: -188.552
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2062.915872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.915872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.461408 (E_RNA)
where:
Base-Base interactions energy: -1388.554
where: short stacking energy: -584.183
Base-Backbone interact. energy: 1.589
local terms energy: -678.496515
where:
bonds (distance) C4'-P energy: -124.901
bonds (distance) P-C4' energy: -143.515
flat angles C4'-P-C4' energy: -150.567
flat angles P-C4'-P energy: -98.470
tors. eta vs tors. theta energy: -161.043
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2041.651509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.651509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.935166 (E_RNA)
where:
Base-Base interactions energy: -1406.105
where: short stacking energy: -606.133
Base-Backbone interact. energy: -1.170
local terms energy: -637.659989
where:
bonds (distance) C4'-P energy: -142.065
bonds (distance) P-C4' energy: -124.708
flat angles C4'-P-C4' energy: -132.392
flat angles P-C4'-P energy: -80.489
tors. eta vs tors. theta energy: -158.007
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1964.464535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.464535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.674232 (E_RNA)
where:
Base-Base interactions energy: -1334.326
where: short stacking energy: -565.650
Base-Backbone interact. energy: -0.559
local terms energy: -631.788726
where:
bonds (distance) C4'-P energy: -106.748
bonds (distance) P-C4' energy: -146.159
flat angles C4'-P-C4' energy: -131.137
flat angles P-C4'-P energy: -92.548
tors. eta vs tors. theta energy: -155.196
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: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1893.421055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.421055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.056559 (E_RNA)
where:
Base-Base interactions energy: -1265.986
where: short stacking energy: -503.912
Base-Backbone interact. energy: 2.350
local terms energy: -633.420288
where:
bonds (distance) C4'-P energy: -131.349
bonds (distance) P-C4' energy: -151.885
flat angles C4'-P-C4' energy: -137.205
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -136.275
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: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2876.495618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.495618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.369591 (E_RNA)
where:
Base-Base interactions energy: -1979.915
where: short stacking energy: -837.374
Base-Backbone interact. energy: 0.331
local terms energy: -898.785303
where:
bonds (distance) C4'-P energy: -170.960
bonds (distance) P-C4' energy: -159.778
flat angles C4'-P-C4' energy: -190.814
flat angles P-C4'-P energy: -131.528
tors. eta vs tors. theta energy: -245.705
Dist. restrs. and SS energy: 1.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2738.415041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.415041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.684301 (E_RNA)
where:
Base-Base interactions energy: -1925.281
where: short stacking energy: -807.133
Base-Backbone interact. energy: -1.721
local terms energy: -813.682490
where:
bonds (distance) C4'-P energy: -141.589
bonds (distance) P-C4' energy: -158.488
flat angles C4'-P-C4' energy: -181.272
flat angles P-C4'-P energy: -98.229
tors. eta vs tors. theta energy: -234.104
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: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2644.320995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.320995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.597619 (E_RNA)
where:
Base-Base interactions energy: -1830.405
where: short stacking energy: -776.568
Base-Backbone interact. energy: -3.250
local terms energy: -812.942575
where:
bonds (distance) C4'-P energy: -142.289
bonds (distance) P-C4' energy: -161.074
flat angles C4'-P-C4' energy: -172.105
flat angles P-C4'-P energy: -116.212
tors. eta vs tors. theta energy: -221.263
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2526.483685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.483685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.703606 (E_RNA)
where:
Base-Base interactions energy: -1733.817
where: short stacking energy: -736.924
Base-Backbone interact. energy: -2.519
local terms energy: -794.367362
where:
bonds (distance) C4'-P energy: -137.779
bonds (distance) P-C4' energy: -149.285
flat angles C4'-P-C4' energy: -179.599
flat angles P-C4'-P energy: -108.827
tors. eta vs tors. theta energy: -218.878
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: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2304.350088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.350088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.529065 (E_RNA)
where:
Base-Base interactions energy: -1573.394
where: short stacking energy: -699.627
Base-Backbone interact. energy: 5.189
local terms energy: -738.324307
where:
bonds (distance) C4'-P energy: -138.582
bonds (distance) P-C4' energy: -137.722
flat angles C4'-P-C4' energy: -155.420
flat angles P-C4'-P energy: -107.670
tors. eta vs tors. theta energy: -198.929
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2207.886519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.886519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.271229 (E_RNA)
where:
Base-Base interactions energy: -1505.317
where: short stacking energy: -643.850
Base-Backbone interact. energy: 1.710
local terms energy: -706.664205
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -151.232
flat angles C4'-P-C4' energy: -159.714
flat angles P-C4'-P energy: -98.143
tors. eta vs tors. theta energy: -175.813
Dist. restrs. and SS energy: 2.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2057.252255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.252255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.022144 (E_RNA)
where:
Base-Base interactions energy: -1378.095
where: short stacking energy: -590.597
Base-Backbone interact. energy: -0.123
local terms energy: -682.804334
where:
bonds (distance) C4'-P energy: -128.084
bonds (distance) P-C4' energy: -148.269
flat angles C4'-P-C4' energy: -130.888
flat angles P-C4'-P energy: -111.516
tors. eta vs tors. theta energy: -164.047
Dist. restrs. and SS energy: 3.770 (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: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2012.802824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.802824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.949439 (E_RNA)
where:
Base-Base interactions energy: -1364.318
where: short stacking energy: -566.224
Base-Backbone interact. energy: 4.440
local terms energy: -655.071804
where:
bonds (distance) C4'-P energy: -134.417
bonds (distance) P-C4' energy: -136.216
flat angles C4'-P-C4' energy: -148.483
flat angles P-C4'-P energy: -71.963
tors. eta vs tors. theta energy: -163.992
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1984.312103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.312103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.457837 (E_RNA)
where:
Base-Base interactions energy: -1337.327
where: short stacking energy: -573.158
Base-Backbone interact. energy: 5.982
local terms energy: -655.112176
where:
bonds (distance) C4'-P energy: -148.601
bonds (distance) P-C4' energy: -128.038
flat angles C4'-P-C4' energy: -140.013
flat angles P-C4'-P energy: -89.717
tors. eta vs tors. theta energy: -148.743
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: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1918.741866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.741866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.286191 (E_RNA)
where:
Base-Base interactions energy: -1306.885
where: short stacking energy: -572.811
Base-Backbone interact. energy: -1.826
local terms energy: -614.575770
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -109.926
flat angles C4'-P-C4' energy: -150.959
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -145.910
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2840.767046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.767046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.807529 (E_RNA)
where:
Base-Base interactions energy: -1965.845
where: short stacking energy: -846.011
Base-Backbone interact. energy: 1.472
local terms energy: -877.434869
where:
bonds (distance) C4'-P energy: -171.639
bonds (distance) P-C4' energy: -136.154
flat angles C4'-P-C4' energy: -191.480
flat angles P-C4'-P energy: -120.592
tors. eta vs tors. theta energy: -257.570
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2752.455112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.455112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.608963 (E_RNA)
where:
Base-Base interactions energy: -1893.336
where: short stacking energy: -799.914
Base-Backbone interact. energy: -1.944
local terms energy: -858.328937
where:
bonds (distance) C4'-P energy: -167.399
bonds (distance) P-C4' energy: -161.683
flat angles C4'-P-C4' energy: -175.123
flat angles P-C4'-P energy: -112.677
tors. eta vs tors. theta energy: -241.447
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2692.104389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.104389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.745396 (E_RNA)
where:
Base-Base interactions energy: -1868.808
where: short stacking energy: -756.493
Base-Backbone interact. energy: -2.436
local terms energy: -823.501038
where:
bonds (distance) C4'-P energy: -140.727
bonds (distance) P-C4' energy: -158.725
flat angles C4'-P-C4' energy: -174.463
flat angles P-C4'-P energy: -132.657
tors. eta vs tors. theta energy: -216.929
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2493.419162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.419162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.505032 (E_RNA)
where:
Base-Base interactions energy: -1720.955
where: short stacking energy: -741.292
Base-Backbone interact. energy: -2.865
local terms energy: -771.685555
where:
bonds (distance) C4'-P energy: -134.272
bonds (distance) P-C4' energy: -160.784
flat angles C4'-P-C4' energy: -171.514
flat angles P-C4'-P energy: -104.868
tors. eta vs tors. theta energy: -200.247
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2286.692774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.692774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.076400 (E_RNA)
where:
Base-Base interactions energy: -1550.692
where: short stacking energy: -668.328
Base-Backbone interact. energy: -2.992
local terms energy: -734.392400
where:
bonds (distance) C4'-P energy: -147.624
bonds (distance) P-C4' energy: -139.732
flat angles C4'-P-C4' energy: -158.581
flat angles P-C4'-P energy: -102.703
tors. eta vs tors. theta energy: -185.753
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: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2174.635121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.635121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.916343 (E_RNA)
where:
Base-Base interactions energy: -1472.641
where: short stacking energy: -655.222
Base-Backbone interact. energy: -1.433
local terms energy: -702.841959
where:
bonds (distance) C4'-P energy: -137.471
bonds (distance) P-C4' energy: -136.660
flat angles C4'-P-C4' energy: -150.528
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -176.455
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: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2114.995361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.995361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.737068 (E_RNA)
where:
Base-Base interactions energy: -1415.742
where: short stacking energy: -628.033
Base-Backbone interact. energy: 3.612
local terms energy: -705.607794
where:
bonds (distance) C4'-P energy: -152.116
bonds (distance) P-C4' energy: -141.441
flat angles C4'-P-C4' energy: -154.995
flat angles P-C4'-P energy: -89.925
tors. eta vs tors. theta energy: -167.131
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: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1995.732212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.732212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.496850 (E_RNA)
where:
Base-Base interactions energy: -1338.659
where: short stacking energy: -548.504
Base-Backbone interact. energy: 7.625
local terms energy: -667.462013
where:
bonds (distance) C4'-P energy: -144.437
bonds (distance) P-C4' energy: -139.587
flat angles C4'-P-C4' energy: -148.877
flat angles P-C4'-P energy: -93.251
tors. eta vs tors. theta energy: -141.309
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: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1968.042480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.042480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.319820 (E_RNA)
where:
Base-Base interactions energy: -1342.855
where: short stacking energy: -581.148
Base-Backbone interact. energy: 3.841
local terms energy: -632.304961
where:
bonds (distance) C4'-P energy: -124.543
bonds (distance) P-C4' energy: -99.393
flat angles C4'-P-C4' energy: -147.910
flat angles P-C4'-P energy: -100.360
tors. eta vs tors. theta energy: -160.099
Dist. restrs. and SS energy: 3.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1883.828426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.828426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.456993 (E_RNA)
where:
Base-Base interactions energy: -1275.490
where: short stacking energy: -518.385
Base-Backbone interact. energy: 3.541
local terms energy: -613.507910
where:
bonds (distance) C4'-P energy: -133.246
bonds (distance) P-C4' energy: -133.528
flat angles C4'-P-C4' energy: -122.924
flat angles P-C4'-P energy: -85.167
tors. eta vs tors. theta energy: -138.643
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: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2834.048332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.048332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.742854 (E_RNA)
where:
Base-Base interactions energy: -1928.078
where: short stacking energy: -821.379
Base-Backbone interact. energy: -2.598
local terms energy: -905.066976
where:
bonds (distance) C4'-P energy: -168.101
bonds (distance) P-C4' energy: -168.057
flat angles C4'-P-C4' energy: -191.923
flat angles P-C4'-P energy: -131.144
tors. eta vs tors. theta energy: -245.841
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: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2788.979486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.979486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.100011 (E_RNA)
where:
Base-Base interactions energy: -1941.338
where: short stacking energy: -811.112
Base-Backbone interact. energy: -3.026
local terms energy: -845.735884
where:
bonds (distance) C4'-P energy: -159.885
bonds (distance) P-C4' energy: -158.489
flat angles C4'-P-C4' energy: -182.912
flat angles P-C4'-P energy: -119.589
tors. eta vs tors. theta energy: -224.860
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2732.253187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.253187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.131052 (E_RNA)
where:
Base-Base interactions energy: -1873.983
where: short stacking energy: -782.793
Base-Backbone interact. energy: -2.685
local terms energy: -858.462708
where:
bonds (distance) C4'-P energy: -149.565
bonds (distance) P-C4' energy: -159.588
flat angles C4'-P-C4' energy: -186.869
flat angles P-C4'-P energy: -122.825
tors. eta vs tors. theta energy: -239.617
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2485.745417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.745417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.052583 (E_RNA)
where:
Base-Base interactions energy: -1694.002
where: short stacking energy: -736.554
Base-Backbone interact. energy: -1.927
local terms energy: -791.124178
where:
bonds (distance) C4'-P energy: -151.274
bonds (distance) P-C4' energy: -151.645
flat angles C4'-P-C4' energy: -154.210
flat angles P-C4'-P energy: -119.074
tors. eta vs tors. theta energy: -214.921
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2324.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.674232 (E_RNA)
where:
Base-Base interactions energy: -1563.744
where: short stacking energy: -681.755
Base-Backbone interact. energy: 1.827
local terms energy: -763.757470
where:
bonds (distance) C4'-P energy: -152.989
bonds (distance) P-C4' energy: -144.101
flat angles C4'-P-C4' energy: -169.723
flat angles P-C4'-P energy: -104.830
tors. eta vs tors. theta energy: -192.114
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2189.882849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.882849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.124866 (E_RNA)
where:
Base-Base interactions energy: -1478.813
where: short stacking energy: -616.658
Base-Backbone interact. energy: -0.418
local terms energy: -713.893928
where:
bonds (distance) C4'-P energy: -138.681
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -156.227
flat angles P-C4'-P energy: -96.147
tors. eta vs tors. theta energy: -175.753
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2117.509165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.483492 (E_RNA)
where:
Base-Base interactions energy: -1412.592
where: short stacking energy: -614.244
Base-Backbone interact. energy: 1.203
local terms energy: -709.094477
where:
bonds (distance) C4'-P energy: -144.804
bonds (distance) P-C4' energy: -147.459
flat angles C4'-P-C4' energy: -159.856
flat angles P-C4'-P energy: -88.892
tors. eta vs tors. theta energy: -168.083
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: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2051.665059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.665059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.945199 (E_RNA)
where:
Base-Base interactions energy: -1399.042
where: short stacking energy: -609.647
Base-Backbone interact. energy: 3.686
local terms energy: -658.588820
where:
bonds (distance) C4'-P energy: -107.332
bonds (distance) P-C4' energy: -144.943
flat angles C4'-P-C4' energy: -143.547
flat angles P-C4'-P energy: -76.385
tors. eta vs tors. theta energy: -186.381
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: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1955.229486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.229486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.190361 (E_RNA)
where:
Base-Base interactions energy: -1335.436
where: short stacking energy: -579.766
Base-Backbone interact. energy: 0.748
local terms energy: -623.502526
where:
bonds (distance) C4'-P energy: -138.963
bonds (distance) P-C4' energy: -132.403
flat angles C4'-P-C4' energy: -136.317
flat angles P-C4'-P energy: -79.780
tors. eta vs tors. theta energy: -136.040
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: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1880.768325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.768325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.391400 (E_RNA)
where:
Base-Base interactions energy: -1249.818
where: short stacking energy: -509.251
Base-Backbone interact. energy: 5.273
local terms energy: -640.846243
where:
bonds (distance) C4'-P energy: -135.812
bonds (distance) P-C4' energy: -144.893
flat angles C4'-P-C4' energy: -132.422
flat angles P-C4'-P energy: -90.315
tors. eta vs tors. theta energy: -137.404
Dist. restrs. and SS energy: 4.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2858.051154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.051154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.913230 (E_RNA)
where:
Base-Base interactions energy: -1965.634
where: short stacking energy: -839.826
Base-Backbone interact. energy: -4.377
local terms energy: -889.902501
where:
bonds (distance) C4'-P energy: -157.087
bonds (distance) P-C4' energy: -166.450
flat angles C4'-P-C4' energy: -181.079
flat angles P-C4'-P energy: -130.173
tors. eta vs tors. theta energy: -255.114
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: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2756.770563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.770563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.247385 (E_RNA)
where:
Base-Base interactions energy: -1906.158
where: short stacking energy: -795.805
Base-Backbone interact. energy: -1.867
local terms energy: -850.223175
where:
bonds (distance) C4'-P energy: -163.069
bonds (distance) P-C4' energy: -162.542
flat angles C4'-P-C4' energy: -176.761
flat angles P-C4'-P energy: -120.955
tors. eta vs tors. theta energy: -226.897
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: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2681.173169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.173169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.854720 (E_RNA)
where:
Base-Base interactions energy: -1840.280
where: short stacking energy: -782.637
Base-Backbone interact. energy: 4.199
local terms energy: -846.774197
where:
bonds (distance) C4'-P energy: -164.273
bonds (distance) P-C4' energy: -147.597
flat angles C4'-P-C4' energy: -177.892
flat angles P-C4'-P energy: -118.510
tors. eta vs tors. theta energy: -238.503
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2526.431982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.431982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.476073 (E_RNA)
where:
Base-Base interactions energy: -1749.290
where: short stacking energy: -752.374
Base-Backbone interact. energy: 0.015
local terms energy: -779.201705
where:
bonds (distance) C4'-P energy: -139.346
bonds (distance) P-C4' energy: -159.456
flat angles C4'-P-C4' energy: -158.632
flat angles P-C4'-P energy: -97.769
tors. eta vs tors. theta energy: -223.999
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2333.355542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.355542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.097343 (E_RNA)
where:
Base-Base interactions energy: -1570.194
where: short stacking energy: -696.047
Base-Backbone interact. energy: -0.044
local terms energy: -764.859405
where:
bonds (distance) C4'-P energy: -131.458
bonds (distance) P-C4' energy: -177.353
flat angles C4'-P-C4' energy: -156.982
flat angles P-C4'-P energy: -107.454
tors. eta vs tors. theta energy: -191.612
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: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2201.182595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.182595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.727650 (E_RNA)
where:
Base-Base interactions energy: -1470.478
where: short stacking energy: -668.260
Base-Backbone interact. energy: -1.107
local terms energy: -733.142203
where:
bonds (distance) C4'-P energy: -148.851
bonds (distance) P-C4' energy: -129.755
flat angles C4'-P-C4' energy: -163.461
flat angles P-C4'-P energy: -106.636
tors. eta vs tors. theta energy: -184.440
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: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2156.246119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.246119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.609546 (E_RNA)
where:
Base-Base interactions energy: -1454.974
where: short stacking energy: -600.838
Base-Backbone interact. energy: 3.242
local terms energy: -706.877894
where:
bonds (distance) C4'-P energy: -156.636
bonds (distance) P-C4' energy: -119.783
flat angles C4'-P-C4' energy: -169.553
flat angles P-C4'-P energy: -98.584
tors. eta vs tors. theta energy: -162.321
Dist. restrs. and SS energy: 2.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2024.318204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.318204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.291636 (E_RNA)
where:
Base-Base interactions energy: -1382.725
where: short stacking energy: -579.636
Base-Backbone interact. energy: -2.200
local terms energy: -641.365752
where:
bonds (distance) C4'-P energy: -125.247
bonds (distance) P-C4' energy: -140.350
flat angles C4'-P-C4' energy: -147.492
flat angles P-C4'-P energy: -92.463
tors. eta vs tors. theta energy: -135.814
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: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1984.455823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.455823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.119724 (E_RNA)
where:
Base-Base interactions energy: -1354.220
where: short stacking energy: -598.486
Base-Backbone interact. energy: 0.613
local terms energy: -634.512313
where:
bonds (distance) C4'-P energy: -113.191
bonds (distance) P-C4' energy: -109.513
flat angles C4'-P-C4' energy: -149.786
flat angles P-C4'-P energy: -102.370
tors. eta vs tors. theta energy: -159.653
Dist. restrs. and SS energy: 3.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1816.718059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.718059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.061247 (E_RNA)
where:
Base-Base interactions energy: -1239.292
where: short stacking energy: -512.932
Base-Backbone interact. energy: 6.486
local terms energy: -589.255861
where:
bonds (distance) C4'-P energy: -108.406
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -138.785
flat angles P-C4'-P energy: -87.036
tors. eta vs tors. theta energy: -125.824
Dist. restrs. and SS energy: 5.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2876.279728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.279728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.532149 (E_RNA)
where:
Base-Base interactions energy: -2004.434
where: short stacking energy: -860.627
Base-Backbone interact. energy: -4.750
local terms energy: -868.347892
where:
bonds (distance) C4'-P energy: -161.320
bonds (distance) P-C4' energy: -159.601
flat angles C4'-P-C4' energy: -181.013
flat angles P-C4'-P energy: -125.377
tors. eta vs tors. theta energy: -241.037
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: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2755.989212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.989212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.030573 (E_RNA)
where:
Base-Base interactions energy: -1923.361
where: short stacking energy: -792.423
Base-Backbone interact. energy: -1.665
local terms energy: -833.005187
where:
bonds (distance) C4'-P energy: -165.054
bonds (distance) P-C4' energy: -154.770
flat angles C4'-P-C4' energy: -180.136
flat angles P-C4'-P energy: -115.659
tors. eta vs tors. theta energy: -217.387
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: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2721.650203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.650203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.931800 (E_RNA)
where:
Base-Base interactions energy: -1890.687
where: short stacking energy: -781.846
Base-Backbone interact. energy: -2.591
local terms energy: -829.653493
where:
bonds (distance) C4'-P energy: -156.706
bonds (distance) P-C4' energy: -152.070
flat angles C4'-P-C4' energy: -169.177
flat angles P-C4'-P energy: -119.538
tors. eta vs tors. theta energy: -232.163
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: 176
Temperature: 1.050000
Total energy: -2509.128095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.128095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.230071 (E_RNA)
where:
Base-Base interactions energy: -1735.908
where: short stacking energy: -721.378
Base-Backbone interact. energy: 1.718
local terms energy: -777.040231
where:
bonds (distance) C4'-P energy: -146.174
bonds (distance) P-C4' energy: -150.311
flat angles C4'-P-C4' energy: -179.479
flat angles P-C4'-P energy: -93.326
tors. eta vs tors. theta energy: -207.750
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2333.593311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.593311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.328356 (E_RNA)
where:
Base-Base interactions energy: -1585.603
where: short stacking energy: -679.436
Base-Backbone interact. energy: -4.949
local terms energy: -744.776394
where:
bonds (distance) C4'-P energy: -131.548
bonds (distance) P-C4' energy: -136.198
flat angles C4'-P-C4' energy: -174.373
flat angles P-C4'-P energy: -113.001
tors. eta vs tors. theta energy: -189.657
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: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2189.580241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.580241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.961220 (E_RNA)
where:
Base-Base interactions energy: -1476.969
where: short stacking energy: -663.398
Base-Backbone interact. energy: -3.063
local terms energy: -711.929970
where:
bonds (distance) C4'-P energy: -130.493
bonds (distance) P-C4' energy: -144.302
flat angles C4'-P-C4' energy: -160.016
flat angles P-C4'-P energy: -101.791
tors. eta vs tors. theta energy: -175.329
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2162.084423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.084423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.004738 (E_RNA)
where:
Base-Base interactions energy: -1458.947
where: short stacking energy: -618.462
Base-Backbone interact. energy: -1.099
local terms energy: -703.958859
where:
bonds (distance) C4'-P energy: -145.784
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -152.113
flat angles P-C4'-P energy: -98.285
tors. eta vs tors. theta energy: -178.536
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1989.392955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.392955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.574846 (E_RNA)
where:
Base-Base interactions energy: -1358.457
where: short stacking energy: -575.768
Base-Backbone interact. energy: 9.110
local terms energy: -642.228043
where:
bonds (distance) C4'-P energy: -123.139
bonds (distance) P-C4' energy: -140.361
flat angles C4'-P-C4' energy: -132.766
flat angles P-C4'-P energy: -95.895
tors. eta vs tors. theta energy: -150.066
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: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1987.449835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.449835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.317141 (E_RNA)
where:
Base-Base interactions energy: -1319.413
where: short stacking energy: -548.405
Base-Backbone interact. energy: 3.265
local terms energy: -674.169304
where:
bonds (distance) C4'-P energy: -124.007
bonds (distance) P-C4' energy: -147.698
flat angles C4'-P-C4' energy: -157.273
flat angles P-C4'-P energy: -97.998
tors. eta vs tors. theta energy: -147.193
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: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1870.130382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.130382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.585476 (E_RNA)
where:
Base-Base interactions energy: -1287.985
where: short stacking energy: -527.749
Base-Backbone interact. energy: 5.843
local terms energy: -591.444244
where:
bonds (distance) C4'-P energy: -99.895
bonds (distance) P-C4' energy: -132.003
flat angles C4'-P-C4' energy: -152.742
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -132.501
Dist. restrs. and SS energy: 3.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2853.858313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.858313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.297521 (E_RNA)
where:
Base-Base interactions energy: -1948.153
where: short stacking energy: -809.516
Base-Backbone interact. energy: -3.454
local terms energy: -903.690110
where:
bonds (distance) C4'-P energy: -167.671
bonds (distance) P-C4' energy: -172.187
flat angles C4'-P-C4' energy: -185.877
flat angles P-C4'-P energy: -130.791
tors. eta vs tors. theta energy: -247.164
Dist. restrs. and SS energy: 1.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2786.774462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.774462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.830151 (E_RNA)
where:
Base-Base interactions energy: -1911.444
where: short stacking energy: -802.721
Base-Backbone interact. energy: -3.901
local terms energy: -872.485485
where:
bonds (distance) C4'-P energy: -166.934
bonds (distance) P-C4' energy: -156.077
flat angles C4'-P-C4' energy: -184.258
flat angles P-C4'-P energy: -129.781
tors. eta vs tors. theta energy: -235.436
Dist. restrs. and SS energy: 1.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2699.132935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.132935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.667200 (E_RNA)
where:
Base-Base interactions energy: -1863.359
where: short stacking energy: -773.827
Base-Backbone interact. energy: 1.949
local terms energy: -839.257032
where:
bonds (distance) C4'-P energy: -149.730
bonds (distance) P-C4' energy: -157.149
flat angles C4'-P-C4' energy: -193.021
flat angles P-C4'-P energy: -121.688
tors. eta vs tors. theta energy: -217.669
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: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2457.292334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.292334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.016910 (E_RNA)
where:
Base-Base interactions energy: -1697.472
where: short stacking energy: -737.914
Base-Backbone interact. energy: -2.846
local terms energy: -758.698858
where:
bonds (distance) C4'-P energy: -136.849
bonds (distance) P-C4' energy: -159.433
flat angles C4'-P-C4' energy: -158.362
flat angles P-C4'-P energy: -91.973
tors. eta vs tors. theta energy: -212.081
Dist. restrs. and SS energy: 1.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2309.040946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.040946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.392300 (E_RNA)
where:
Base-Base interactions energy: -1554.953
where: short stacking energy: -663.127
Base-Backbone interact. energy: -1.603
local terms energy: -754.836326
where:
bonds (distance) C4'-P energy: -130.412
bonds (distance) P-C4' energy: -150.136
flat angles C4'-P-C4' energy: -165.986
flat angles P-C4'-P energy: -111.501
tors. eta vs tors. theta energy: -196.801
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: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2240.222202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.222202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.337933 (E_RNA)
where:
Base-Base interactions energy: -1525.445
where: short stacking energy: -657.135
Base-Backbone interact. energy: 10.375
local terms energy: -728.267698
where:
bonds (distance) C4'-P energy: -137.079
bonds (distance) P-C4' energy: -140.854
flat angles C4'-P-C4' energy: -164.054
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -184.555
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: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2145.244551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.244551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.798965 (E_RNA)
where:
Base-Base interactions energy: -1433.207
where: short stacking energy: -604.249
Base-Backbone interact. energy: -3.575
local terms energy: -710.017343
where:
bonds (distance) C4'-P energy: -157.898
bonds (distance) P-C4' energy: -151.397
flat angles C4'-P-C4' energy: -144.935
flat angles P-C4'-P energy: -93.768
tors. eta vs tors. theta energy: -162.019
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: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2006.681031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.681031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.038450 (E_RNA)
where:
Base-Base interactions energy: -1359.931
where: short stacking energy: -551.949
Base-Backbone interact. energy: -1.676
local terms energy: -647.431997
where:
bonds (distance) C4'-P energy: -121.239
bonds (distance) P-C4' energy: -135.556
flat angles C4'-P-C4' energy: -150.923
flat angles P-C4'-P energy: -96.359
tors. eta vs tors. theta energy: -143.355
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1956.690925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.690925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.287159 (E_RNA)
where:
Base-Base interactions energy: -1332.002
where: short stacking energy: -573.114
Base-Backbone interact. energy: 1.243
local terms energy: -628.528317
where:
bonds (distance) C4'-P energy: -114.825
bonds (distance) P-C4' energy: -138.573
flat angles C4'-P-C4' energy: -143.571
flat angles P-C4'-P energy: -86.977
tors. eta vs tors. theta energy: -144.582
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: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1869.790459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.790459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.912746 (E_RNA)
where:
Base-Base interactions energy: -1289.982
where: short stacking energy: -526.582
Base-Backbone interact. energy: 5.758
local terms energy: -588.688169
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -119.918
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -88.493
tors. eta vs tors. theta energy: -145.933
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2869.570061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.570061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.105221 (E_RNA)
where:
Base-Base interactions energy: -1983.010
where: short stacking energy: -863.132
Base-Backbone interact. energy: -1.516
local terms energy: -886.579659
where:
bonds (distance) C4'-P energy: -155.921
bonds (distance) P-C4' energy: -161.720
flat angles C4'-P-C4' energy: -181.571
flat angles P-C4'-P energy: -137.748
tors. eta vs tors. theta energy: -249.620
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: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2765.147067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.147067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.336564 (E_RNA)
where:
Base-Base interactions energy: -1892.916
where: short stacking energy: -813.410
Base-Backbone interact. energy: -0.659
local terms energy: -872.761610
where:
bonds (distance) C4'-P energy: -152.119
bonds (distance) P-C4' energy: -176.008
flat angles C4'-P-C4' energy: -188.520
flat angles P-C4'-P energy: -124.318
tors. eta vs tors. theta energy: -231.796
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2681.847090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.847090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.985235 (E_RNA)
where:
Base-Base interactions energy: -1868.255
where: short stacking energy: -775.878
Base-Backbone interact. energy: -3.406
local terms energy: -811.324333
where:
bonds (distance) C4'-P energy: -154.366
bonds (distance) P-C4' energy: -167.875
flat angles C4'-P-C4' energy: -169.371
flat angles P-C4'-P energy: -114.718
tors. eta vs tors. theta energy: -204.995
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2362.178607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.178607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.897710 (E_RNA)
where:
Base-Base interactions energy: -1592.742
where: short stacking energy: -699.190
Base-Backbone interact. energy: -3.037
local terms energy: -769.118953
where:
bonds (distance) C4'-P energy: -154.142
bonds (distance) P-C4' energy: -149.487
flat angles C4'-P-C4' energy: -160.705
flat angles P-C4'-P energy: -108.071
tors. eta vs tors. theta energy: -196.714
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2330.955753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.955753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.750330 (E_RNA)
where:
Base-Base interactions energy: -1563.517
where: short stacking energy: -674.711
Base-Backbone interact. energy: 0.576
local terms energy: -770.809853
where:
bonds (distance) C4'-P energy: -162.604
bonds (distance) P-C4' energy: -153.779
flat angles C4'-P-C4' energy: -166.146
flat angles P-C4'-P energy: -104.754
tors. eta vs tors. theta energy: -183.527
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: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2198.325618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.325618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.401450 (E_RNA)
where:
Base-Base interactions energy: -1483.358
where: short stacking energy: -648.732
Base-Backbone interact. energy: -1.414
local terms energy: -715.629942
where:
bonds (distance) C4'-P energy: -120.635
bonds (distance) P-C4' energy: -137.764
flat angles C4'-P-C4' energy: -166.498
flat angles P-C4'-P energy: -118.765
tors. eta vs tors. theta energy: -171.968
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: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2152.691807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.691807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.629039 (E_RNA)
where:
Base-Base interactions energy: -1462.513
where: short stacking energy: -644.998
Base-Backbone interact. energy: 2.321
local terms energy: -695.436079
where:
bonds (distance) C4'-P energy: -136.101
bonds (distance) P-C4' energy: -140.227
flat angles C4'-P-C4' energy: -143.922
flat angles P-C4'-P energy: -86.992
tors. eta vs tors. theta energy: -188.194
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: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2032.730657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.730657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.268373 (E_RNA)
where:
Base-Base interactions energy: -1383.822
where: short stacking energy: -582.718
Base-Backbone interact. energy: -0.775
local terms energy: -651.670672
where:
bonds (distance) C4'-P energy: -131.142
bonds (distance) P-C4' energy: -129.898
flat angles C4'-P-C4' energy: -141.812
flat angles P-C4'-P energy: -97.652
tors. eta vs tors. theta energy: -151.167
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: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1913.229514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.229514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.942574 (E_RNA)
where:
Base-Base interactions energy: -1308.704
where: short stacking energy: -529.968
Base-Backbone interact. energy: -0.230
local terms energy: -609.009067
where:
bonds (distance) C4'-P energy: -135.210
bonds (distance) P-C4' energy: -117.539
flat angles C4'-P-C4' energy: -130.469
flat angles P-C4'-P energy: -83.207
tors. eta vs tors. theta energy: -142.583
Dist. restrs. and SS energy: 4.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1854.197089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.197089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.578380 (E_RNA)
where:
Base-Base interactions energy: -1256.165
where: short stacking energy: -497.357
Base-Backbone interact. energy: -0.369
local terms energy: -602.044349
where:
bonds (distance) C4'-P energy: -118.862
bonds (distance) P-C4' energy: -121.924
flat angles C4'-P-C4' energy: -163.146
flat angles P-C4'-P energy: -85.829
tors. eta vs tors. theta energy: -112.283
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2865.625629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.625629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.210959 (E_RNA)
where:
Base-Base interactions energy: -1950.690
where: short stacking energy: -848.225
Base-Backbone interact. energy: -3.089
local terms energy: -913.432489
where:
bonds (distance) C4'-P energy: -164.623
bonds (distance) P-C4' energy: -161.243
flat angles C4'-P-C4' energy: -198.816
flat angles P-C4'-P energy: -131.550
tors. eta vs tors. theta energy: -257.200
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2784.453960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.453960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.293971 (E_RNA)
where:
Base-Base interactions energy: -1949.471
where: short stacking energy: -820.573
Base-Backbone interact. energy: 1.692
local terms energy: -837.515186
where:
bonds (distance) C4'-P energy: -156.221
bonds (distance) P-C4' energy: -150.379
flat angles C4'-P-C4' energy: -182.019
flat angles P-C4'-P energy: -110.267
tors. eta vs tors. theta energy: -238.629
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2676.820515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.820515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.448649 (E_RNA)
where:
Base-Base interactions energy: -1883.998
where: short stacking energy: -784.351
Base-Backbone interact. energy: -1.439
local terms energy: -793.011740
where:
bonds (distance) C4'-P energy: -155.091
bonds (distance) P-C4' energy: -133.919
flat angles C4'-P-C4' energy: -178.766
flat angles P-C4'-P energy: -116.941
tors. eta vs tors. theta energy: -208.294
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2425.149454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.149454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.501034 (E_RNA)
where:
Base-Base interactions energy: -1645.036
where: short stacking energy: -707.518
Base-Backbone interact. energy: -3.023
local terms energy: -779.441994
where:
bonds (distance) C4'-P energy: -142.565
bonds (distance) P-C4' energy: -143.745
flat angles C4'-P-C4' energy: -180.558
flat angles P-C4'-P energy: -121.589
tors. eta vs tors. theta energy: -190.985
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: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2395.363999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.363999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.816973 (E_RNA)
where:
Base-Base interactions energy: -1620.093
where: short stacking energy: -700.438
Base-Backbone interact. energy: -6.247
local terms energy: -771.477144
where:
bonds (distance) C4'-P energy: -152.222
bonds (distance) P-C4' energy: -123.578
flat angles C4'-P-C4' energy: -185.393
flat angles P-C4'-P energy: -99.898
tors. eta vs tors. theta energy: -210.387
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: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2222.553959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.553959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.126237 (E_RNA)
where:
Base-Base interactions energy: -1496.996
where: short stacking energy: -643.962
Base-Backbone interact. energy: -0.315
local terms energy: -726.815489
where:
bonds (distance) C4'-P energy: -132.610
bonds (distance) P-C4' energy: -144.538
flat angles C4'-P-C4' energy: -155.852
flat angles P-C4'-P energy: -107.053
tors. eta vs tors. theta energy: -186.762
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2083.449118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.449118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.589944 (E_RNA)
where:
Base-Base interactions energy: -1425.985
where: short stacking energy: -600.041
Base-Backbone interact. energy: -0.401
local terms energy: -658.204202
where:
bonds (distance) C4'-P energy: -132.033
bonds (distance) P-C4' energy: -128.390
flat angles C4'-P-C4' energy: -147.720
flat angles P-C4'-P energy: -84.217
tors. eta vs tors. theta energy: -165.843
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1983.304222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.304222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.973663 (E_RNA)
where:
Base-Base interactions energy: -1298.259
where: short stacking energy: -575.721
Base-Backbone interact. energy: -0.173
local terms energy: -688.541030
where:
bonds (distance) C4'-P energy: -137.657
bonds (distance) P-C4' energy: -156.981
flat angles C4'-P-C4' energy: -155.361
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -143.129
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: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1908.263599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.263599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.465927 (E_RNA)
where:
Base-Base interactions energy: -1320.684
where: short stacking energy: -556.711
Base-Backbone interact. energy: -1.324
local terms energy: -588.458026
where:
bonds (distance) C4'-P energy: -117.958
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -131.494
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: -144.686
Dist. restrs. and SS energy: 2.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1883.914248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.914248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.121560 (E_RNA)
where:
Base-Base interactions energy: -1304.960
where: short stacking energy: -557.187
Base-Backbone interact. energy: 1.924
local terms energy: -583.085452
where:
bonds (distance) C4'-P energy: -108.767
bonds (distance) P-C4' energy: -139.236
flat angles C4'-P-C4' energy: -125.061
flat angles P-C4'-P energy: -84.419
tors. eta vs tors. theta energy: -125.601
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: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2838.848008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.848008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.772124 (E_RNA)
where:
Base-Base interactions energy: -1952.219
where: short stacking energy: -826.468
Base-Backbone interact. energy: -2.616
local terms energy: -885.936665
where:
bonds (distance) C4'-P energy: -158.267
bonds (distance) P-C4' energy: -166.881
flat angles C4'-P-C4' energy: -185.488
flat angles P-C4'-P energy: -126.554
tors. eta vs tors. theta energy: -248.747
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2777.358136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.358136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.560921 (E_RNA)
where:
Base-Base interactions energy: -1921.888
where: short stacking energy: -814.600
Base-Backbone interact. energy: -4.743
local terms energy: -852.930245
where:
bonds (distance) C4'-P energy: -140.621
bonds (distance) P-C4' energy: -166.691
flat angles C4'-P-C4' energy: -174.429
flat angles P-C4'-P energy: -116.909
tors. eta vs tors. theta energy: -254.281
Dist. restrs. and SS energy: 2.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2701.047891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.047891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.163293 (E_RNA)
where:
Base-Base interactions energy: -1901.163
where: short stacking energy: -790.288
Base-Backbone interact. energy: -0.135
local terms energy: -800.865684
where:
bonds (distance) C4'-P energy: -139.885
bonds (distance) P-C4' energy: -149.228
flat angles C4'-P-C4' energy: -172.693
flat angles P-C4'-P energy: -125.559
tors. eta vs tors. theta energy: -213.501
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2437.124990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.124990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.502100 (E_RNA)
where:
Base-Base interactions energy: -1673.046
where: short stacking energy: -727.342
Base-Backbone interact. energy: 0.159
local terms energy: -767.615802
where:
bonds (distance) C4'-P energy: -154.281
bonds (distance) P-C4' energy: -135.773
flat angles C4'-P-C4' energy: -164.261
flat angles P-C4'-P energy: -109.331
tors. eta vs tors. theta energy: -203.970
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2305.834065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.834065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.743567 (E_RNA)
where:
Base-Base interactions energy: -1561.688
where: short stacking energy: -695.837
Base-Backbone interact. energy: -2.322
local terms energy: -743.733505
where:
bonds (distance) C4'-P energy: -142.751
bonds (distance) P-C4' energy: -148.736
flat angles C4'-P-C4' energy: -165.495
flat angles P-C4'-P energy: -89.417
tors. eta vs tors. theta energy: -197.336
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: 180
Temperature: 1.150000
Total energy: -2302.330781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.330781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.563333 (E_RNA)
where:
Base-Base interactions energy: -1557.201
where: short stacking energy: -654.426
Base-Backbone interact. energy: -1.375
local terms energy: -745.986524
where:
bonds (distance) C4'-P energy: -136.469
bonds (distance) P-C4' energy: -144.788
flat angles C4'-P-C4' energy: -180.895
flat angles P-C4'-P energy: -97.583
tors. eta vs tors. theta energy: -186.251
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: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2087.252552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.252552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.140347 (E_RNA)
where:
Base-Base interactions energy: -1425.952
where: short stacking energy: -627.296
Base-Backbone interact. energy: 0.102
local terms energy: -663.290651
where:
bonds (distance) C4'-P energy: -124.539
bonds (distance) P-C4' energy: -125.511
flat angles C4'-P-C4' energy: -156.021
flat angles P-C4'-P energy: -94.714
tors. eta vs tors. theta energy: -162.506
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2014.726575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.726575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.279294 (E_RNA)
where:
Base-Base interactions energy: -1350.855
where: short stacking energy: -576.611
Base-Backbone interact. energy: 0.694
local terms energy: -666.118328
where:
bonds (distance) C4'-P energy: -129.839
bonds (distance) P-C4' energy: -136.902
flat angles C4'-P-C4' energy: -144.211
flat angles P-C4'-P energy: -93.417
tors. eta vs tors. theta energy: -161.750
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1933.638175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.638175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.046902 (E_RNA)
where:
Base-Base interactions energy: -1329.169
where: short stacking energy: -561.965
Base-Backbone interact. energy: -4.787
local terms energy: -602.090703
where:
bonds (distance) C4'-P energy: -119.064
bonds (distance) P-C4' energy: -120.688
flat angles C4'-P-C4' energy: -148.647
flat angles P-C4'-P energy: -82.462
tors. eta vs tors. theta energy: -131.230
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1811.999107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.999107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.797685 (E_RNA)
where:
Base-Base interactions energy: -1215.192
where: short stacking energy: -496.629
Base-Backbone interact. energy: 2.610
local terms energy: -607.215750
where:
bonds (distance) C4'-P energy: -135.082
bonds (distance) P-C4' energy: -116.794
flat angles C4'-P-C4' energy: -134.654
flat angles P-C4'-P energy: -98.905
tors. eta vs tors. theta energy: -121.781
Dist. restrs. and SS energy: 7.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2831.273133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.273133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.370799 (E_RNA)
where:
Base-Base interactions energy: -1932.734
where: short stacking energy: -804.943
Base-Backbone interact. energy: -4.818
local terms energy: -894.818824
where:
bonds (distance) C4'-P energy: -183.464
bonds (distance) P-C4' energy: -161.705
flat angles C4'-P-C4' energy: -181.427
flat angles P-C4'-P energy: -126.950
tors. eta vs tors. theta energy: -241.272
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: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2770.222618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.222618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.163265 (E_RNA)
where:
Base-Base interactions energy: -1903.555
where: short stacking energy: -801.350
Base-Backbone interact. energy: 2.018
local terms energy: -870.626306
where:
bonds (distance) C4'-P energy: -142.044
bonds (distance) P-C4' energy: -168.532
flat angles C4'-P-C4' energy: -187.936
flat angles P-C4'-P energy: -126.006
tors. eta vs tors. theta energy: -246.108
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: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2693.405123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.405123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.837506 (E_RNA)
where:
Base-Base interactions energy: -1878.012
where: short stacking energy: -780.061
Base-Backbone interact. energy: 3.365
local terms energy: -820.190489
where:
bonds (distance) C4'-P energy: -152.856
bonds (distance) P-C4' energy: -166.392
flat angles C4'-P-C4' energy: -184.385
flat angles P-C4'-P energy: -109.487
tors. eta vs tors. theta energy: -207.070
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: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2443.379246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.379246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.610370 (E_RNA)
where:
Base-Base interactions energy: -1664.674
where: short stacking energy: -742.105
Base-Backbone interact. energy: 1.444
local terms energy: -782.380005
where:
bonds (distance) C4'-P energy: -152.941
bonds (distance) P-C4' energy: -145.494
flat angles C4'-P-C4' energy: -169.471
flat angles P-C4'-P energy: -107.488
tors. eta vs tors. theta energy: -206.986
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2327.755993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.755993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.751826 (E_RNA)
where:
Base-Base interactions energy: -1560.516
where: short stacking energy: -705.415
Base-Backbone interact. energy: -2.725
local terms energy: -765.511148
where:
bonds (distance) C4'-P energy: -147.381
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -149.572
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -221.716
Dist. restrs. and SS energy: 0.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2258.985935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.985935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.492073 (E_RNA)
where:
Base-Base interactions energy: -1523.059
where: short stacking energy: -659.035
Base-Backbone interact. energy: -2.075
local terms energy: -736.358062
where:
bonds (distance) C4'-P energy: -143.578
bonds (distance) P-C4' energy: -149.899
flat angles C4'-P-C4' energy: -164.597
flat angles P-C4'-P energy: -97.892
tors. eta vs tors. theta energy: -180.391
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2067.287862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.287862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.790165 (E_RNA)
where:
Base-Base interactions energy: -1405.009
where: short stacking energy: -604.865
Base-Backbone interact. energy: 2.941
local terms energy: -669.722894
where:
bonds (distance) C4'-P energy: -114.539
bonds (distance) P-C4' energy: -135.116
flat angles C4'-P-C4' energy: -158.258
flat angles P-C4'-P energy: -93.694
tors. eta vs tors. theta energy: -168.114
Dist. restrs. and SS energy: 4.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2060.269398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.269398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.096218 (E_RNA)
where:
Base-Base interactions energy: -1397.401
where: short stacking energy: -594.844
Base-Backbone interact. energy: -2.093
local terms energy: -662.602637
where:
bonds (distance) C4'-P energy: -131.585
bonds (distance) P-C4' energy: -132.274
flat angles C4'-P-C4' energy: -142.649
flat angles P-C4'-P energy: -85.150
tors. eta vs tors. theta energy: -170.945
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1999.119532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.119532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.775816 (E_RNA)
where:
Base-Base interactions energy: -1359.875
where: short stacking energy: -561.277
Base-Backbone interact. energy: 1.039
local terms energy: -642.939267
where:
bonds (distance) C4'-P energy: -124.021
bonds (distance) P-C4' energy: -132.493
flat angles C4'-P-C4' energy: -144.306
flat angles P-C4'-P energy: -80.747
tors. eta vs tors. theta energy: -161.373
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: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1838.047896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.047896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.405709 (E_RNA)
where:
Base-Base interactions energy: -1253.012
where: short stacking energy: -513.275
Base-Backbone interact. energy: 1.084
local terms energy: -589.478062
where:
bonds (distance) C4'-P energy: -123.385
bonds (distance) P-C4' energy: -116.837
flat angles C4'-P-C4' energy: -130.383
flat angles P-C4'-P energy: -92.451
tors. eta vs tors. theta energy: -126.422
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: 182
Temperature: 0.900000
Total energy: -2823.986724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.986724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.348997 (E_RNA)
where:
Base-Base interactions energy: -1966.766
where: short stacking energy: -816.306
Base-Backbone interact. energy: 2.312
local terms energy: -861.894475
where:
bonds (distance) C4'-P energy: -153.607
bonds (distance) P-C4' energy: -169.535
flat angles C4'-P-C4' energy: -186.720
flat angles P-C4'-P energy: -124.027
tors. eta vs tors. theta energy: -228.005
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2757.808250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.808250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.642648 (E_RNA)
where:
Base-Base interactions energy: -1908.547
where: short stacking energy: -809.288
Base-Backbone interact. energy: -3.902
local terms energy: -846.194289
where:
bonds (distance) C4'-P energy: -158.451
bonds (distance) P-C4' energy: -155.328
flat angles C4'-P-C4' energy: -175.537
flat angles P-C4'-P energy: -111.113
tors. eta vs tors. theta energy: -245.766
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2664.559505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.559505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.117947 (E_RNA)
where:
Base-Base interactions energy: -1868.288
where: short stacking energy: -772.497
Base-Backbone interact. energy: -2.220
local terms energy: -794.610009
where:
bonds (distance) C4'-P energy: -147.382
bonds (distance) P-C4' energy: -147.881
flat angles C4'-P-C4' energy: -165.967
flat angles P-C4'-P energy: -117.833
tors. eta vs tors. theta energy: -215.546
Dist. restrs. and SS energy: 0.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2398.020331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.020331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.213647 (E_RNA)
where:
Base-Base interactions energy: -1628.202
where: short stacking energy: -705.767
Base-Backbone interact. energy: 3.292
local terms energy: -774.303424
where:
bonds (distance) C4'-P energy: -146.595
bonds (distance) P-C4' energy: -144.251
flat angles C4'-P-C4' energy: -159.319
flat angles P-C4'-P energy: -101.612
tors. eta vs tors. theta energy: -222.527
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: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2321.450353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.450353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.665742 (E_RNA)
where:
Base-Base interactions energy: -1603.066
where: short stacking energy: -689.358
Base-Backbone interact. energy: 1.051
local terms energy: -721.650525
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -139.518
flat angles C4'-P-C4' energy: -155.679
flat angles P-C4'-P energy: -96.510
tors. eta vs tors. theta energy: -185.108
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: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2285.404745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.404745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.565243 (E_RNA)
where:
Base-Base interactions energy: -1560.773
where: short stacking energy: -684.748
Base-Backbone interact. energy: 5.377
local terms energy: -733.169360
where:
bonds (distance) C4'-P energy: -128.537
bonds (distance) P-C4' energy: -149.247
flat angles C4'-P-C4' energy: -162.432
flat angles P-C4'-P energy: -109.698
tors. eta vs tors. theta energy: -183.256
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2085.679007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.679007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.776896 (E_RNA)
where:
Base-Base interactions energy: -1372.483
where: short stacking energy: -605.849
Base-Backbone interact. energy: 1.288
local terms energy: -716.581813
where:
bonds (distance) C4'-P energy: -127.638
bonds (distance) P-C4' energy: -141.906
flat angles C4'-P-C4' energy: -163.820
flat angles P-C4'-P energy: -109.403
tors. eta vs tors. theta energy: -173.815
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: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2062.845794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.845794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.687654 (E_RNA)
where:
Base-Base interactions energy: -1382.657
where: short stacking energy: -589.026
Base-Backbone interact. energy: 4.376
local terms energy: -686.406691
where:
bonds (distance) C4'-P energy: -137.150
bonds (distance) P-C4' energy: -142.048
flat angles C4'-P-C4' energy: -127.834
flat angles P-C4'-P energy: -115.194
tors. eta vs tors. theta energy: -164.181
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: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1978.478708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.478708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.280240 (E_RNA)
where:
Base-Base interactions energy: -1339.148
where: short stacking energy: -594.132
Base-Backbone interact. energy: 2.107
local terms energy: -646.239097
where:
bonds (distance) C4'-P energy: -124.849
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -135.927
flat angles P-C4'-P energy: -86.693
tors. eta vs tors. theta energy: -165.461
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: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1858.623712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.623712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.981903 (E_RNA)
where:
Base-Base interactions energy: -1265.030
where: short stacking energy: -549.496
Base-Backbone interact. energy: 7.885
local terms energy: -608.836866
where:
bonds (distance) C4'-P energy: -118.832
bonds (distance) P-C4' energy: -117.609
flat angles C4'-P-C4' energy: -137.310
flat angles P-C4'-P energy: -88.557
tors. eta vs tors. theta energy: -146.529
Dist. restrs. and SS energy: 7.358 (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: 183
Temperature: 0.900000
Total energy: -2863.290690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.290690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.599110 (E_RNA)
where:
Base-Base interactions energy: -1983.612
where: short stacking energy: -832.256
Base-Backbone interact. energy: -3.621
local terms energy: -878.366344
where:
bonds (distance) C4'-P energy: -147.854
bonds (distance) P-C4' energy: -170.646
flat angles C4'-P-C4' energy: -185.534
flat angles P-C4'-P energy: -131.178
tors. eta vs tors. theta energy: -243.154
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: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2717.684271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.684271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.000623 (E_RNA)
where:
Base-Base interactions energy: -1880.990
where: short stacking energy: -784.028
Base-Backbone interact. energy: 0.242
local terms energy: -838.252820
where:
bonds (distance) C4'-P energy: -160.713
bonds (distance) P-C4' energy: -158.696
flat angles C4'-P-C4' energy: -183.064
flat angles P-C4'-P energy: -109.748
tors. eta vs tors. theta energy: -226.032
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2712.077571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.077571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.929770 (E_RNA)
where:
Base-Base interactions energy: -1881.735
where: short stacking energy: -800.289
Base-Backbone interact. energy: -3.365
local terms energy: -828.830400
where:
bonds (distance) C4'-P energy: -131.487
bonds (distance) P-C4' energy: -154.264
flat angles C4'-P-C4' energy: -171.710
flat angles P-C4'-P energy: -131.090
tors. eta vs tors. theta energy: -240.279
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2447.550095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.550095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.105342 (E_RNA)
where:
Base-Base interactions energy: -1665.601
where: short stacking energy: -716.533
Base-Backbone interact. energy: -1.174
local terms energy: -782.330765
where:
bonds (distance) C4'-P energy: -157.174
bonds (distance) P-C4' energy: -151.473
flat angles C4'-P-C4' energy: -163.296
flat angles P-C4'-P energy: -112.471
tors. eta vs tors. theta energy: -197.917
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2348.663004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.663004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.951164 (E_RNA)
where:
Base-Base interactions energy: -1599.454
where: short stacking energy: -681.617
Base-Backbone interact. energy: 1.223
local terms energy: -751.720814
where:
bonds (distance) C4'-P energy: -132.653
bonds (distance) P-C4' energy: -157.290
flat angles C4'-P-C4' energy: -157.014
flat angles P-C4'-P energy: -113.866
tors. eta vs tors. theta energy: -190.899
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2234.075277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.075277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.689597 (E_RNA)
where:
Base-Base interactions energy: -1547.734
where: short stacking energy: -669.842
Base-Backbone interact. energy: -0.564
local terms energy: -687.391454
where:
bonds (distance) C4'-P energy: -115.872
bonds (distance) P-C4' energy: -128.855
flat angles C4'-P-C4' energy: -155.429
flat angles P-C4'-P energy: -102.326
tors. eta vs tors. theta energy: -184.911
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2110.916113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.539586 (E_RNA)
where:
Base-Base interactions energy: -1458.016
where: short stacking energy: -611.628
Base-Backbone interact. energy: 2.318
local terms energy: -657.841732
where:
bonds (distance) C4'-P energy: -103.646
bonds (distance) P-C4' energy: -143.070
flat angles C4'-P-C4' energy: -146.458
flat angles P-C4'-P energy: -103.542
tors. eta vs tors. theta energy: -161.126
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: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2081.421510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.421510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.729543 (E_RNA)
where:
Base-Base interactions energy: -1388.878
where: short stacking energy: -615.520
Base-Backbone interact. energy: -0.727
local terms energy: -695.124123
where:
bonds (distance) C4'-P energy: -131.753
bonds (distance) P-C4' energy: -138.323
flat angles C4'-P-C4' energy: -155.179
flat angles P-C4'-P energy: -101.120
tors. eta vs tors. theta energy: -168.750
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: 9, replica: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1961.654414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.654414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.624810 (E_RNA)
where:
Base-Base interactions energy: -1305.647
where: short stacking energy: -570.174
Base-Backbone interact. energy: -0.965
local terms energy: -660.012991
where:
bonds (distance) C4'-P energy: -101.652
bonds (distance) P-C4' energy: -144.557
flat angles C4'-P-C4' energy: -166.631
flat angles P-C4'-P energy: -92.119
tors. eta vs tors. theta energy: -155.055
Dist. restrs. and SS energy: 4.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1842.532112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.532112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.568598 (E_RNA)
where:
Base-Base interactions energy: -1271.134
where: short stacking energy: -529.544
Base-Backbone interact. energy: 0.734
local terms energy: -576.168638
where:
bonds (distance) C4'-P energy: -111.088
bonds (distance) P-C4' energy: -140.903
flat angles C4'-P-C4' energy: -124.380
flat angles P-C4'-P energy: -74.978
tors. eta vs tors. theta energy: -124.820
Dist. restrs. and SS energy: 4.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2859.091384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.091384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.293318 (E_RNA)
where:
Base-Base interactions energy: -1998.030
where: short stacking energy: -819.570
Base-Backbone interact. energy: -4.811
local terms energy: -857.452251
where:
bonds (distance) C4'-P energy: -145.573
bonds (distance) P-C4' energy: -150.588
flat angles C4'-P-C4' energy: -183.613
flat angles P-C4'-P energy: -137.720
tors. eta vs tors. theta energy: -239.958
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2754.019679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.019679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.306757 (E_RNA)
where:
Base-Base interactions energy: -1927.804
where: short stacking energy: -779.115
Base-Backbone interact. energy: -1.917
local terms energy: -826.585095
where:
bonds (distance) C4'-P energy: -157.297
bonds (distance) P-C4' energy: -154.781
flat angles C4'-P-C4' energy: -167.910
flat angles P-C4'-P energy: -113.430
tors. eta vs tors. theta energy: -233.167
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2706.423157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.423157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.309966 (E_RNA)
where:
Base-Base interactions energy: -1873.857
where: short stacking energy: -788.178
Base-Backbone interact. energy: -1.472
local terms energy: -832.981581
where:
bonds (distance) C4'-P energy: -154.798
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -173.644
flat angles P-C4'-P energy: -117.348
tors. eta vs tors. theta energy: -246.184
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2432.937270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.937270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.996903 (E_RNA)
where:
Base-Base interactions energy: -1676.528
where: short stacking energy: -727.933
Base-Backbone interact. energy: -1.043
local terms energy: -757.426090
where:
bonds (distance) C4'-P energy: -142.780
bonds (distance) P-C4' energy: -152.764
flat angles C4'-P-C4' energy: -156.639
flat angles P-C4'-P energy: -105.630
tors. eta vs tors. theta energy: -199.613
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: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2297.631426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.631426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.965340 (E_RNA)
where:
Base-Base interactions energy: -1538.539
where: short stacking energy: -660.494
Base-Backbone interact. energy: 4.917
local terms energy: -766.343856
where:
bonds (distance) C4'-P energy: -139.071
bonds (distance) P-C4' energy: -155.124
flat angles C4'-P-C4' energy: -174.564
flat angles P-C4'-P energy: -107.195
tors. eta vs tors. theta energy: -190.390
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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2205.950588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.950588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.195110 (E_RNA)
where:
Base-Base interactions energy: -1531.159
where: short stacking energy: -638.849
Base-Backbone interact. energy: 2.235
local terms energy: -678.270594
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -147.118
flat angles C4'-P-C4' energy: -162.901
flat angles P-C4'-P energy: -90.506
tors. eta vs tors. theta energy: -162.130
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: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2093.913306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.913306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.947811 (E_RNA)
where:
Base-Base interactions energy: -1396.696
where: short stacking energy: -593.274
Base-Backbone interact. energy: -0.244
local terms energy: -700.007724
where:
bonds (distance) C4'-P energy: -145.257
bonds (distance) P-C4' energy: -141.299
flat angles C4'-P-C4' energy: -150.880
flat angles P-C4'-P energy: -102.905
tors. eta vs tors. theta energy: -159.666
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: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2032.684299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.684299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.006538 (E_RNA)
where:
Base-Base interactions energy: -1381.746
where: short stacking energy: -573.563
Base-Backbone interact. energy: -1.598
local terms energy: -651.662811
where:
bonds (distance) C4'-P energy: -145.568
bonds (distance) P-C4' energy: -139.841
flat angles C4'-P-C4' energy: -141.813
flat angles P-C4'-P energy: -85.195
tors. eta vs tors. theta energy: -139.245
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: 4
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1920.560373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.560373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.184614 (E_RNA)
where:
Base-Base interactions energy: -1323.731
where: short stacking energy: -539.977
Base-Backbone interact. energy: -1.489
local terms energy: -597.964960
where:
bonds (distance) C4'-P energy: -112.396
bonds (distance) P-C4' energy: -148.385
flat angles C4'-P-C4' energy: -131.043
flat angles P-C4'-P energy: -76.938
tors. eta vs tors. theta energy: -129.202
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: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1846.670514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.670514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.674936 (E_RNA)
where:
Base-Base interactions energy: -1225.008
where: short stacking energy: -518.846
Base-Backbone interact. energy: 1.630
local terms energy: -627.297184
where:
bonds (distance) C4'-P energy: -137.014
bonds (distance) P-C4' energy: -121.734
flat angles C4'-P-C4' energy: -138.849
flat angles P-C4'-P energy: -96.653
tors. eta vs tors. theta energy: -133.048
Dist. restrs. and SS energy: 4.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2892.671136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.671136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.528483 (E_RNA)
where:
Base-Base interactions energy: -2015.759
where: short stacking energy: -837.940
Base-Backbone interact. energy: -0.496
local terms energy: -878.273296
where:
bonds (distance) C4'-P energy: -162.819
bonds (distance) P-C4' energy: -155.219
flat angles C4'-P-C4' energy: -188.014
flat angles P-C4'-P energy: -125.965
tors. eta vs tors. theta energy: -246.257
Dist. restrs. and SS energy: 1.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2765.520500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.520500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.458211 (E_RNA)
where:
Base-Base interactions energy: -1956.957
where: short stacking energy: -808.536
Base-Backbone interact. energy: -3.127
local terms energy: -807.374141
where:
bonds (distance) C4'-P energy: -159.892
bonds (distance) P-C4' energy: -147.555
flat angles C4'-P-C4' energy: -160.821
flat angles P-C4'-P energy: -109.360
tors. eta vs tors. theta energy: -229.745
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: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2703.865556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.865556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.011017 (E_RNA)
where:
Base-Base interactions energy: -1873.927
where: short stacking energy: -798.599
Base-Backbone interact. energy: -2.602
local terms energy: -828.481272
where:
bonds (distance) C4'-P energy: -154.784
bonds (distance) P-C4' energy: -153.438
flat angles C4'-P-C4' energy: -173.596
flat angles P-C4'-P energy: -115.360
tors. eta vs tors. theta energy: -231.304
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2430.002473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.002473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.733004 (E_RNA)
where:
Base-Base interactions energy: -1674.472
where: short stacking energy: -734.479
Base-Backbone interact. energy: -0.548
local terms energy: -756.713477
where:
bonds (distance) C4'-P energy: -129.556
bonds (distance) P-C4' energy: -165.239
flat angles C4'-P-C4' energy: -164.617
flat angles P-C4'-P energy: -101.529
tors. eta vs tors. theta energy: -195.773
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: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2307.434561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.434561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.403560 (E_RNA)
where:
Base-Base interactions energy: -1538.503
where: short stacking energy: -682.275
Base-Backbone interact. energy: -2.878
local terms energy: -768.022562
where:
bonds (distance) C4'-P energy: -137.653
bonds (distance) P-C4' energy: -147.781
flat angles C4'-P-C4' energy: -170.947
flat angles P-C4'-P energy: -105.579
tors. eta vs tors. theta energy: -206.063
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: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2137.351005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.351005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.894986 (E_RNA)
where:
Base-Base interactions energy: -1445.751
where: short stacking energy: -632.923
Base-Backbone interact. energy: 0.048
local terms energy: -693.192309
where:
bonds (distance) C4'-P energy: -142.012
bonds (distance) P-C4' energy: -148.026
flat angles C4'-P-C4' energy: -146.990
flat angles P-C4'-P energy: -97.738
tors. eta vs tors. theta energy: -158.426
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2143.884906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.884906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.462413 (E_RNA)
where:
Base-Base interactions energy: -1439.904
where: short stacking energy: -595.543
Base-Backbone interact. energy: -2.415
local terms energy: -703.143469
where:
bonds (distance) C4'-P energy: -152.531
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -153.523
flat angles P-C4'-P energy: -107.035
tors. eta vs tors. theta energy: -161.736
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -2074.646064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.646064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.083579 (E_RNA)
where:
Base-Base interactions energy: -1408.277
where: short stacking energy: -603.045
Base-Backbone interact. energy: -0.443
local terms energy: -668.363295
where:
bonds (distance) C4'-P energy: -135.878
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -145.033
flat angles P-C4'-P energy: -97.704
tors. eta vs tors. theta energy: -176.511
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: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1912.960885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.960885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.473686 (E_RNA)
where:
Base-Base interactions energy: -1281.402
where: short stacking energy: -543.484
Base-Backbone interact. energy: 3.590
local terms energy: -639.662054
where:
bonds (distance) C4'-P energy: -114.345
bonds (distance) P-C4' energy: -135.658
flat angles C4'-P-C4' energy: -148.965
flat angles P-C4'-P energy: -94.908
tors. eta vs tors. theta energy: -145.785
Dist. restrs. and SS energy: 4.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1828.667044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.667044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.047285 (E_RNA)
where:
Base-Base interactions energy: -1256.627
where: short stacking energy: -513.636
Base-Backbone interact. energy: 9.236
local terms energy: -588.656170
where:
bonds (distance) C4'-P energy: -126.893
bonds (distance) P-C4' energy: -128.273
flat angles C4'-P-C4' energy: -136.962
flat angles P-C4'-P energy: -78.792
tors. eta vs tors. theta energy: -117.737
Dist. restrs. and SS energy: 7.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2899.170529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.170529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.351210 (E_RNA)
where:
Base-Base interactions energy: -2026.948
where: short stacking energy: -835.930
Base-Backbone interact. energy: -6.255
local terms energy: -867.148416
where:
bonds (distance) C4'-P energy: -163.509
bonds (distance) P-C4' energy: -149.281
flat angles C4'-P-C4' energy: -191.715
flat angles P-C4'-P energy: -112.329
tors. eta vs tors. theta energy: -250.314
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2788.014438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.014438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.920946 (E_RNA)
where:
Base-Base interactions energy: -1921.804
where: short stacking energy: -813.547
Base-Backbone interact. energy: -4.412
local terms energy: -863.704630
where:
bonds (distance) C4'-P energy: -153.256
bonds (distance) P-C4' energy: -165.135
flat angles C4'-P-C4' energy: -188.403
flat angles P-C4'-P energy: -121.500
tors. eta vs tors. theta energy: -235.410
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: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2669.857156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.857156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.026039 (E_RNA)
where:
Base-Base interactions energy: -1848.632
where: short stacking energy: -757.228
Base-Backbone interact. energy: 4.612
local terms energy: -827.005549
where:
bonds (distance) C4'-P energy: -146.120
bonds (distance) P-C4' energy: -149.453
flat angles C4'-P-C4' energy: -182.805
flat angles P-C4'-P energy: -115.611
tors. eta vs tors. theta energy: -233.017
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2414.787771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.787771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.251765 (E_RNA)
where:
Base-Base interactions energy: -1617.424
where: short stacking energy: -699.000
Base-Backbone interact. energy: 0.168
local terms energy: -798.995333
where:
bonds (distance) C4'-P energy: -149.226
bonds (distance) P-C4' energy: -147.830
flat angles C4'-P-C4' energy: -183.200
flat angles P-C4'-P energy: -109.822
tors. eta vs tors. theta energy: -208.916
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: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2292.287760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.287760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.830213 (E_RNA)
where:
Base-Base interactions energy: -1511.233
where: short stacking energy: -643.379
Base-Backbone interact. energy: -0.160
local terms energy: -783.436886
where:
bonds (distance) C4'-P energy: -158.825
bonds (distance) P-C4' energy: -150.871
flat angles C4'-P-C4' energy: -171.222
flat angles P-C4'-P energy: -102.130
tors. eta vs tors. theta energy: -200.389
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: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2176.033155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.033155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.775914 (E_RNA)
where:
Base-Base interactions energy: -1461.349
where: short stacking energy: -638.291
Base-Backbone interact. energy: -2.517
local terms energy: -713.910276
where:
bonds (distance) C4'-P energy: -120.404
bonds (distance) P-C4' energy: -145.746
flat angles C4'-P-C4' energy: -151.382
flat angles P-C4'-P energy: -106.955
tors. eta vs tors. theta energy: -189.423
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: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2091.189023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.189023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.169903 (E_RNA)
where:
Base-Base interactions energy: -1421.167
where: short stacking energy: -611.095
Base-Backbone interact. energy: 1.781
local terms energy: -673.784041
where:
bonds (distance) C4'-P energy: -138.119
bonds (distance) P-C4' energy: -146.193
flat angles C4'-P-C4' energy: -140.931
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -156.164
Dist. restrs. and SS energy: 1.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1973.883960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.883960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.103264 (E_RNA)
where:
Base-Base interactions energy: -1337.650
where: short stacking energy: -560.060
Base-Backbone interact. energy: -0.511
local terms energy: -638.942149
where:
bonds (distance) C4'-P energy: -127.960
bonds (distance) P-C4' energy: -146.269
flat angles C4'-P-C4' energy: -141.302
flat angles P-C4'-P energy: -87.054
tors. eta vs tors. theta energy: -136.357
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: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1876.622004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.622004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.644741 (E_RNA)
where:
Base-Base interactions energy: -1273.771
where: short stacking energy: -520.318
Base-Backbone interact. energy: -3.132
local terms energy: -602.742642
where:
bonds (distance) C4'-P energy: -133.410
bonds (distance) P-C4' energy: -124.672
flat angles C4'-P-C4' energy: -148.061
flat angles P-C4'-P energy: -82.168
tors. eta vs tors. theta energy: -114.431
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1841.003464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.003464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.618168 (E_RNA)
where:
Base-Base interactions energy: -1232.844
where: short stacking energy: -509.472
Base-Backbone interact. energy: -3.182
local terms energy: -610.592111
where:
bonds (distance) C4'-P energy: -134.872
bonds (distance) P-C4' energy: -132.734
flat angles C4'-P-C4' energy: -133.676
flat angles P-C4'-P energy: -73.549
tors. eta vs tors. theta energy: -135.762
Dist. restrs. and SS energy: 5.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2887.015452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.015452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.525806 (E_RNA)
where:
Base-Base interactions energy: -2009.992
where: short stacking energy: -851.961
Base-Backbone interact. energy: -1.809
local terms energy: -876.725338
where:
bonds (distance) C4'-P energy: -164.354
bonds (distance) P-C4' energy: -154.106
flat angles C4'-P-C4' energy: -189.805
flat angles P-C4'-P energy: -109.906
tors. eta vs tors. theta energy: -258.555
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2780.124554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.124554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.159121 (E_RNA)
where:
Base-Base interactions energy: -1928.068
where: short stacking energy: -796.074
Base-Backbone interact. energy: -1.017
local terms energy: -853.074269
where:
bonds (distance) C4'-P energy: -155.584
bonds (distance) P-C4' energy: -158.137
flat angles C4'-P-C4' energy: -178.127
flat angles P-C4'-P energy: -123.671
tors. eta vs tors. theta energy: -237.555
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2716.322337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.322337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.624412 (E_RNA)
where:
Base-Base interactions energy: -1882.877
where: short stacking energy: -801.744
Base-Backbone interact. energy: -1.045
local terms energy: -833.703235
where:
bonds (distance) C4'-P energy: -167.357
bonds (distance) P-C4' energy: -150.153
flat angles C4'-P-C4' energy: -177.909
flat angles P-C4'-P energy: -103.481
tors. eta vs tors. theta energy: -234.803
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2462.130323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.130323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.074153 (E_RNA)
where:
Base-Base interactions energy: -1653.280
where: short stacking energy: -731.996
Base-Backbone interact. energy: -1.800
local terms energy: -808.994017
where:
bonds (distance) C4'-P energy: -149.053
bonds (distance) P-C4' energy: -162.415
flat angles C4'-P-C4' energy: -166.524
flat angles P-C4'-P energy: -115.534
tors. eta vs tors. theta energy: -215.468
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2352.673991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.673991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.878977 (E_RNA)
where:
Base-Base interactions energy: -1610.694
where: short stacking energy: -691.085
Base-Backbone interact. energy: 2.086
local terms energy: -745.271119
where:
bonds (distance) C4'-P energy: -149.950
bonds (distance) P-C4' energy: -136.297
flat angles C4'-P-C4' energy: -153.855
flat angles P-C4'-P energy: -104.664
tors. eta vs tors. theta energy: -200.505
Dist. restrs. and SS energy: 1.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2186.469859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.469859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.348642 (E_RNA)
where:
Base-Base interactions energy: -1481.584
where: short stacking energy: -630.494
Base-Backbone interact. energy: -1.829
local terms energy: -705.936264
where:
bonds (distance) C4'-P energy: -132.603
bonds (distance) P-C4' energy: -134.031
flat angles C4'-P-C4' energy: -149.610
flat angles P-C4'-P energy: -101.365
tors. eta vs tors. theta energy: -188.327
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2158.881621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.881621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.319940 (E_RNA)
where:
Base-Base interactions energy: -1468.144
where: short stacking energy: -614.220
Base-Backbone interact. energy: -2.288
local terms energy: -690.887996
where:
bonds (distance) C4'-P energy: -125.682
bonds (distance) P-C4' energy: -145.709
flat angles C4'-P-C4' energy: -132.445
flat angles P-C4'-P energy: -104.372
tors. eta vs tors. theta energy: -182.680
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: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2054.937518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.937518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.520446 (E_RNA)
where:
Base-Base interactions energy: -1366.674
where: short stacking energy: -625.914
Base-Backbone interact. energy: 1.236
local terms energy: -692.082456
where:
bonds (distance) C4'-P energy: -127.256
bonds (distance) P-C4' energy: -133.113
flat angles C4'-P-C4' energy: -161.535
flat angles P-C4'-P energy: -101.574
tors. eta vs tors. theta energy: -168.604
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: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1955.997687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.997687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.363915 (E_RNA)
where:
Base-Base interactions energy: -1314.811
where: short stacking energy: -562.819
Base-Backbone interact. energy: 5.140
local terms energy: -648.692913
where:
bonds (distance) C4'-P energy: -125.385
bonds (distance) P-C4' energy: -126.029
flat angles C4'-P-C4' energy: -138.190
flat angles P-C4'-P energy: -110.358
tors. eta vs tors. theta energy: -148.732
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1866.327804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.327804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.028204 (E_RNA)
where:
Base-Base interactions energy: -1289.100
where: short stacking energy: -541.531
Base-Backbone interact. energy: -2.987
local terms energy: -577.941845
where:
bonds (distance) C4'-P energy: -110.310
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -110.452
flat angles P-C4'-P energy: -87.708
tors. eta vs tors. theta energy: -137.594
Dist. restrs. and SS energy: 3.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2885.010356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.010356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.210636 (E_RNA)
where:
Base-Base interactions energy: -1994.783
where: short stacking energy: -859.139
Base-Backbone interact. energy: 0.005
local terms energy: -891.432641
where:
bonds (distance) C4'-P energy: -160.989
bonds (distance) P-C4' energy: -155.986
flat angles C4'-P-C4' energy: -199.242
flat angles P-C4'-P energy: -121.398
tors. eta vs tors. theta energy: -253.817
Dist. restrs. and SS energy: 1.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2787.970701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.970701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.217538 (E_RNA)
where:
Base-Base interactions energy: -1937.225
where: short stacking energy: -827.805
Base-Backbone interact. energy: -2.086
local terms energy: -849.906945
where:
bonds (distance) C4'-P energy: -161.039
bonds (distance) P-C4' energy: -152.940
flat angles C4'-P-C4' energy: -180.286
flat angles P-C4'-P energy: -120.386
tors. eta vs tors. theta energy: -235.256
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: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2677.781206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.781206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.061173 (E_RNA)
where:
Base-Base interactions energy: -1846.941
where: short stacking energy: -745.692
Base-Backbone interact. energy: 4.167
local terms energy: -836.286794
where:
bonds (distance) C4'-P energy: -150.565
bonds (distance) P-C4' energy: -162.356
flat angles C4'-P-C4' energy: -179.096
flat angles P-C4'-P energy: -116.736
tors. eta vs tors. theta energy: -227.533
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2397.249914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.249914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.281054 (E_RNA)
where:
Base-Base interactions energy: -1634.503
where: short stacking energy: -704.223
Base-Backbone interact. energy: 0.460
local terms energy: -765.238399
where:
bonds (distance) C4'-P energy: -151.111
bonds (distance) P-C4' energy: -149.259
flat angles C4'-P-C4' energy: -162.890
flat angles P-C4'-P energy: -100.131
tors. eta vs tors. theta energy: -201.847
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2383.009834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.009834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.035991 (E_RNA)
where:
Base-Base interactions energy: -1633.936
where: short stacking energy: -722.582
Base-Backbone interact. energy: -1.248
local terms energy: -749.851518
where:
bonds (distance) C4'-P energy: -130.771
bonds (distance) P-C4' energy: -137.510
flat angles C4'-P-C4' energy: -165.703
flat angles P-C4'-P energy: -105.361
tors. eta vs tors. theta energy: -210.507
Dist. restrs. and SS energy: 2.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2206.008461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.008461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.543405 (E_RNA)
where:
Base-Base interactions energy: -1485.026
where: short stacking energy: -630.415
Base-Backbone interact. energy: -4.554
local terms energy: -717.963010
where:
bonds (distance) C4'-P energy: -141.360
bonds (distance) P-C4' energy: -136.759
flat angles C4'-P-C4' energy: -171.770
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -178.792
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: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2140.484057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.484057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.751543 (E_RNA)
where:
Base-Base interactions energy: -1454.598
where: short stacking energy: -597.422
Base-Backbone interact. energy: 7.046
local terms energy: -694.198876
where:
bonds (distance) C4'-P energy: -130.071
bonds (distance) P-C4' energy: -135.246
flat angles C4'-P-C4' energy: -144.360
flat angles P-C4'-P energy: -104.463
tors. eta vs tors. theta energy: -180.058
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: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2025.999801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.999801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.487548 (E_RNA)
where:
Base-Base interactions energy: -1352.819
where: short stacking energy: -597.889
Base-Backbone interact. energy: 0.086
local terms energy: -679.755143
where:
bonds (distance) C4'-P energy: -133.449
bonds (distance) P-C4' energy: -143.322
flat angles C4'-P-C4' energy: -136.426
flat angles P-C4'-P energy: -98.158
tors. eta vs tors. theta energy: -168.400
Dist. restrs. and SS energy: 6.488 (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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1940.132893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.132893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.765241 (E_RNA)
where:
Base-Base interactions energy: -1300.540
where: short stacking energy: -558.504
Base-Backbone interact. energy: -2.272
local terms energy: -640.952889
where:
bonds (distance) C4'-P energy: -131.497
bonds (distance) P-C4' energy: -133.433
flat angles C4'-P-C4' energy: -143.799
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -157.860
Dist. restrs. and SS energy: 3.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1794.881395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.692317 (E_RNA)
where:
Base-Base interactions energy: -1210.599
where: short stacking energy: -487.582
Base-Backbone interact. energy: -1.303
local terms energy: -589.789722
where:
bonds (distance) C4'-P energy: -108.619
bonds (distance) P-C4' energy: -131.088
flat angles C4'-P-C4' energy: -139.363
flat angles P-C4'-P energy: -101.313
tors. eta vs tors. theta energy: -109.407
Dist. restrs. and SS energy: 6.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2885.312463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.312463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.842829 (E_RNA)
where:
Base-Base interactions energy: -1984.688
where: short stacking energy: -813.059
Base-Backbone interact. energy: -1.305
local terms energy: -899.849478
where:
bonds (distance) C4'-P energy: -158.950
bonds (distance) P-C4' energy: -167.325
flat angles C4'-P-C4' energy: -194.820
flat angles P-C4'-P energy: -133.426
tors. eta vs tors. theta energy: -245.329
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2756.573203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.573203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.058178 (E_RNA)
where:
Base-Base interactions energy: -1915.083
where: short stacking energy: -820.008
Base-Backbone interact. energy: 3.270
local terms energy: -846.244952
where:
bonds (distance) C4'-P energy: -161.187
bonds (distance) P-C4' energy: -151.823
flat angles C4'-P-C4' energy: -182.209
flat angles P-C4'-P energy: -122.780
tors. eta vs tors. theta energy: -228.246
Dist. restrs. and SS energy: 1.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2660.424979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.424979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.771685 (E_RNA)
where:
Base-Base interactions energy: -1850.004
where: short stacking energy: -761.198
Base-Backbone interact. energy: -3.120
local terms energy: -808.647284
where:
bonds (distance) C4'-P energy: -148.545
bonds (distance) P-C4' energy: -148.079
flat angles C4'-P-C4' energy: -173.128
flat angles P-C4'-P energy: -111.800
tors. eta vs tors. theta energy: -227.095
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: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2411.828401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.156933 (E_RNA)
where:
Base-Base interactions energy: -1629.419
where: short stacking energy: -725.337
Base-Backbone interact. energy: -1.085
local terms energy: -782.652899
where:
bonds (distance) C4'-P energy: -138.508
bonds (distance) P-C4' energy: -146.558
flat angles C4'-P-C4' energy: -170.525
flat angles P-C4'-P energy: -113.413
tors. eta vs tors. theta energy: -213.650
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: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2340.731934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.731934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.730397 (E_RNA)
where:
Base-Base interactions energy: -1625.487
where: short stacking energy: -705.985
Base-Backbone interact. energy: -2.517
local terms energy: -715.725538
where:
bonds (distance) C4'-P energy: -134.261
bonds (distance) P-C4' energy: -131.015
flat angles C4'-P-C4' energy: -154.437
flat angles P-C4'-P energy: -99.601
tors. eta vs tors. theta energy: -196.412
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: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2217.900524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.900524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.167670 (E_RNA)
where:
Base-Base interactions energy: -1479.206
where: short stacking energy: -625.548
Base-Backbone interact. energy: 0.291
local terms energy: -740.252401
where:
bonds (distance) C4'-P energy: -147.299
bonds (distance) P-C4' energy: -138.354
flat angles C4'-P-C4' energy: -166.777
flat angles P-C4'-P energy: -102.049
tors. eta vs tors. theta energy: -185.774
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: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -2116.152930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.152930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.050131 (E_RNA)
where:
Base-Base interactions energy: -1417.313
where: short stacking energy: -619.639
Base-Backbone interact. energy: 0.088
local terms energy: -701.824979
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -139.769
flat angles C4'-P-C4' energy: -168.244
flat angles P-C4'-P energy: -102.256
tors. eta vs tors. theta energy: -164.795
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1999.210427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.210427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.269615 (E_RNA)
where:
Base-Base interactions energy: -1357.015
where: short stacking energy: -596.039
Base-Backbone interact. energy: -3.727
local terms energy: -640.528410
where:
bonds (distance) C4'-P energy: -126.858
bonds (distance) P-C4' energy: -135.532
flat angles C4'-P-C4' energy: -132.944
flat angles P-C4'-P energy: -109.732
tors. eta vs tors. theta energy: -135.462
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: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1960.723813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.723813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.207002 (E_RNA)
where:
Base-Base interactions energy: -1332.562
where: short stacking energy: -534.623
Base-Backbone interact. energy: -0.258
local terms energy: -631.387180
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -131.637
flat angles C4'-P-C4' energy: -131.524
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -146.526
Dist. restrs. and SS energy: 3.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1866.880771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.880771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.381558 (E_RNA)
where:
Base-Base interactions energy: -1250.673
where: short stacking energy: -528.814
Base-Backbone interact. energy: -1.849
local terms energy: -621.859231
where:
bonds (distance) C4'-P energy: -111.629
bonds (distance) P-C4' energy: -136.870
flat angles C4'-P-C4' energy: -142.541
flat angles P-C4'-P energy: -95.536
tors. eta vs tors. theta energy: -135.284
Dist. restrs. and SS energy: 7.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2891.629071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.629071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.912084 (E_RNA)
where:
Base-Base interactions energy: -2001.168
where: short stacking energy: -862.380
Base-Backbone interact. energy: -1.819
local terms energy: -889.924788
where:
bonds (distance) C4'-P energy: -153.448
bonds (distance) P-C4' energy: -178.670
flat angles C4'-P-C4' energy: -182.281
flat angles P-C4'-P energy: -130.487
tors. eta vs tors. theta energy: -245.039
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: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2780.897670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.897670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.053634 (E_RNA)
where:
Base-Base interactions energy: -1944.939
where: short stacking energy: -820.920
Base-Backbone interact. energy: -1.159
local terms energy: -836.956006
where:
bonds (distance) C4'-P energy: -144.602
bonds (distance) P-C4' energy: -162.204
flat angles C4'-P-C4' energy: -185.599
flat angles P-C4'-P energy: -119.258
tors. eta vs tors. theta energy: -225.294
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2709.359891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.359891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.017854 (E_RNA)
where:
Base-Base interactions energy: -1851.514
where: short stacking energy: -764.458
Base-Backbone interact. energy: 0.179
local terms energy: -859.683273
where:
bonds (distance) C4'-P energy: -169.073
bonds (distance) P-C4' energy: -168.299
flat angles C4'-P-C4' energy: -168.986
flat angles P-C4'-P energy: -121.485
tors. eta vs tors. theta energy: -231.840
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2406.940160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.940160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.817572 (E_RNA)
where:
Base-Base interactions energy: -1617.872
where: short stacking energy: -691.259
Base-Backbone interact. energy: 0.267
local terms energy: -792.212426
where:
bonds (distance) C4'-P energy: -156.337
bonds (distance) P-C4' energy: -155.335
flat angles C4'-P-C4' energy: -177.392
flat angles P-C4'-P energy: -102.759
tors. eta vs tors. theta energy: -200.389
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2364.978512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.978512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.831041 (E_RNA)
where:
Base-Base interactions energy: -1605.050
where: short stacking energy: -681.445
Base-Backbone interact. energy: -3.245
local terms energy: -759.535664
where:
bonds (distance) C4'-P energy: -137.545
bonds (distance) P-C4' energy: -149.470
flat angles C4'-P-C4' energy: -155.773
flat angles P-C4'-P energy: -115.207
tors. eta vs tors. theta energy: -201.542
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: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2196.306460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.306460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.106885 (E_RNA)
where:
Base-Base interactions energy: -1504.093
where: short stacking energy: -609.425
Base-Backbone interact. energy: -0.806
local terms energy: -693.207463
where:
bonds (distance) C4'-P energy: -129.866
bonds (distance) P-C4' energy: -143.084
flat angles C4'-P-C4' energy: -163.422
flat angles P-C4'-P energy: -85.338
tors. eta vs tors. theta energy: -171.498
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: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2073.791580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.791580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.477371 (E_RNA)
where:
Base-Base interactions energy: -1399.525
where: short stacking energy: -607.141
Base-Backbone interact. energy: -0.468
local terms energy: -675.484231
where:
bonds (distance) C4'-P energy: -121.395
bonds (distance) P-C4' energy: -149.285
flat angles C4'-P-C4' energy: -144.332
flat angles P-C4'-P energy: -106.128
tors. eta vs tors. theta energy: -154.345
Dist. restrs. and SS energy: 1.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -2083.296689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.296689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.614037 (E_RNA)
where:
Base-Base interactions energy: -1406.701
where: short stacking energy: -613.462
Base-Backbone interact. energy: -1.534
local terms energy: -677.378876
where:
bonds (distance) C4'-P energy: -136.376
bonds (distance) P-C4' energy: -130.336
flat angles C4'-P-C4' energy: -148.895
flat angles P-C4'-P energy: -105.117
tors. eta vs tors. theta energy: -156.655
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1935.585191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.585191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.837261 (E_RNA)
where:
Base-Base interactions energy: -1282.934
where: short stacking energy: -549.101
Base-Backbone interact. energy: -1.445
local terms energy: -654.457891
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -120.627
flat angles C4'-P-C4' energy: -157.391
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -156.119
Dist. restrs. and SS energy: 3.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1913.302282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.091492 (E_RNA)
where:
Base-Base interactions energy: -1323.676
where: short stacking energy: -560.262
Base-Backbone interact. energy: 0.590
local terms energy: -594.006137
where:
bonds (distance) C4'-P energy: -121.698
bonds (distance) P-C4' energy: -125.502
flat angles C4'-P-C4' energy: -141.487
flat angles P-C4'-P energy: -85.543
tors. eta vs tors. theta energy: -119.777
Dist. restrs. and SS energy: 3.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2891.842933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.842933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.587740 (E_RNA)
where:
Base-Base interactions energy: -2012.377
where: short stacking energy: -833.667
Base-Backbone interact. energy: -0.870
local terms energy: -880.340312
where:
bonds (distance) C4'-P energy: -152.400
bonds (distance) P-C4' energy: -171.270
flat angles C4'-P-C4' energy: -190.914
flat angles P-C4'-P energy: -126.906
tors. eta vs tors. theta energy: -238.850
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: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2810.712732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.712732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.032127 (E_RNA)
where:
Base-Base interactions energy: -1938.197
where: short stacking energy: -826.592
Base-Backbone interact. energy: 0.812
local terms energy: -874.647296
where:
bonds (distance) C4'-P energy: -157.792
bonds (distance) P-C4' energy: -160.926
flat angles C4'-P-C4' energy: -174.408
flat angles P-C4'-P energy: -122.078
tors. eta vs tors. theta energy: -259.444
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2722.337850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.337850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.008306 (E_RNA)
where:
Base-Base interactions energy: -1894.104
where: short stacking energy: -784.336
Base-Backbone interact. energy: 8.280
local terms energy: -838.183599
where:
bonds (distance) C4'-P energy: -153.525
bonds (distance) P-C4' energy: -161.558
flat angles C4'-P-C4' energy: -180.036
flat angles P-C4'-P energy: -122.823
tors. eta vs tors. theta energy: -220.242
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2443.863404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.863404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.925582 (E_RNA)
where:
Base-Base interactions energy: -1660.200
where: short stacking energy: -711.914
Base-Backbone interact. energy: -0.273
local terms energy: -785.452872
where:
bonds (distance) C4'-P energy: -138.687
bonds (distance) P-C4' energy: -165.580
flat angles C4'-P-C4' energy: -177.507
flat angles P-C4'-P energy: -111.653
tors. eta vs tors. theta energy: -192.025
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: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2371.758025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.758025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.641333 (E_RNA)
where:
Base-Base interactions energy: -1589.369
where: short stacking energy: -699.962
Base-Backbone interact. energy: -4.724
local terms energy: -781.547763
where:
bonds (distance) C4'-P energy: -142.383
bonds (distance) P-C4' energy: -141.209
flat angles C4'-P-C4' energy: -178.026
flat angles P-C4'-P energy: -116.731
tors. eta vs tors. theta energy: -203.199
Dist. restrs. and SS energy: 3.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2223.339848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.339848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.686055 (E_RNA)
where:
Base-Base interactions energy: -1522.027
where: short stacking energy: -636.132
Base-Backbone interact. energy: -2.218
local terms energy: -701.441494
where:
bonds (distance) C4'-P energy: -129.018
bonds (distance) P-C4' energy: -138.622
flat angles C4'-P-C4' energy: -161.334
flat angles P-C4'-P energy: -97.653
tors. eta vs tors. theta energy: -174.815
Dist. restrs. and SS energy: 2.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2082.911786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.911786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.133337 (E_RNA)
where:
Base-Base interactions energy: -1399.655
where: short stacking energy: -591.419
Base-Backbone interact. energy: -3.312
local terms energy: -682.166403
where:
bonds (distance) C4'-P energy: -122.022
bonds (distance) P-C4' energy: -150.991
flat angles C4'-P-C4' energy: -164.368
flat angles P-C4'-P energy: -100.171
tors. eta vs tors. theta energy: -144.614
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: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2023.714956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.714956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.800278 (E_RNA)
where:
Base-Base interactions energy: -1394.779
where: short stacking energy: -622.814
Base-Backbone interact. energy: 4.489
local terms energy: -636.510614
where:
bonds (distance) C4'-P energy: -121.392
bonds (distance) P-C4' energy: -123.644
flat angles C4'-P-C4' energy: -149.258
flat angles P-C4'-P energy: -95.833
tors. eta vs tors. theta energy: -146.384
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1988.640980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.640980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.137661 (E_RNA)
where:
Base-Base interactions energy: -1353.202
where: short stacking energy: -574.441
Base-Backbone interact. energy: 3.593
local terms energy: -642.528700
where:
bonds (distance) C4'-P energy: -115.834
bonds (distance) P-C4' energy: -135.209
flat angles C4'-P-C4' energy: -140.364
flat angles P-C4'-P energy: -86.852
tors. eta vs tors. theta energy: -164.269
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1887.253909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.253909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.348410 (E_RNA)
where:
Base-Base interactions energy: -1295.847
where: short stacking energy: -534.755
Base-Backbone interact. energy: -0.802
local terms energy: -593.698843
where:
bonds (distance) C4'-P energy: -121.362
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -143.211
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -122.893
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2891.644467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.644467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.537834 (E_RNA)
where:
Base-Base interactions energy: -2003.730
where: short stacking energy: -820.070
Base-Backbone interact. energy: 2.921
local terms energy: -891.728635
where:
bonds (distance) C4'-P energy: -171.386
bonds (distance) P-C4' energy: -164.511
flat angles C4'-P-C4' energy: -192.990
flat angles P-C4'-P energy: -122.552
tors. eta vs tors. theta energy: -240.290
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2789.874441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.874441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.477391 (E_RNA)
where:
Base-Base interactions energy: -1938.106
where: short stacking energy: -826.184
Base-Backbone interact. energy: 1.880
local terms energy: -855.251985
where:
bonds (distance) C4'-P energy: -152.435
bonds (distance) P-C4' energy: -162.675
flat angles C4'-P-C4' energy: -177.317
flat angles P-C4'-P energy: -122.204
tors. eta vs tors. theta energy: -240.622
Dist. restrs. and SS energy: 1.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2660.390642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.390642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.963794 (E_RNA)
where:
Base-Base interactions energy: -1827.481
where: short stacking energy: -763.872
Base-Backbone interact. energy: -6.270
local terms energy: -828.212577
where:
bonds (distance) C4'-P energy: -162.025
bonds (distance) P-C4' energy: -140.403
flat angles C4'-P-C4' energy: -170.097
flat angles P-C4'-P energy: -129.217
tors. eta vs tors. theta energy: -226.471
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2425.994787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.994787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.269431 (E_RNA)
where:
Base-Base interactions energy: -1623.460
where: short stacking energy: -715.818
Base-Backbone interact. energy: -4.297
local terms energy: -800.512312
where:
bonds (distance) C4'-P energy: -156.644
bonds (distance) P-C4' energy: -154.640
flat angles C4'-P-C4' energy: -173.086
flat angles P-C4'-P energy: -103.805
tors. eta vs tors. theta energy: -212.336
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2340.355217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.355217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.882538 (E_RNA)
where:
Base-Base interactions energy: -1577.664
where: short stacking energy: -710.635
Base-Backbone interact. energy: -1.655
local terms energy: -762.563991
where:
bonds (distance) C4'-P energy: -139.938
bonds (distance) P-C4' energy: -149.874
flat angles C4'-P-C4' energy: -161.593
flat angles P-C4'-P energy: -101.678
tors. eta vs tors. theta energy: -209.481
Dist. restrs. and SS energy: 1.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2211.466152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.466152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.080415 (E_RNA)
where:
Base-Base interactions energy: -1494.205
where: short stacking energy: -602.618
Base-Backbone interact. energy: -1.638
local terms energy: -718.237283
where:
bonds (distance) C4'-P energy: -137.621
bonds (distance) P-C4' energy: -137.741
flat angles C4'-P-C4' energy: -164.170
flat angles P-C4'-P energy: -102.911
tors. eta vs tors. theta energy: -175.794
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: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2095.590833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.590833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.379455 (E_RNA)
where:
Base-Base interactions energy: -1415.144
where: short stacking energy: -600.215
Base-Backbone interact. energy: 5.133
local terms energy: -687.367908
where:
bonds (distance) C4'-P energy: -148.937
bonds (distance) P-C4' energy: -134.772
flat angles C4'-P-C4' energy: -140.784
flat angles P-C4'-P energy: -90.715
tors. eta vs tors. theta energy: -172.160
Dist. restrs. and SS energy: 1.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2012.149221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.149221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.888770 (E_RNA)
where:
Base-Base interactions energy: -1374.884
where: short stacking energy: -584.336
Base-Backbone interact. energy: -1.364
local terms energy: -637.640127
where:
bonds (distance) C4'-P energy: -121.632
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -150.893
flat angles P-C4'-P energy: -90.295
tors. eta vs tors. theta energy: -143.607
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: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1996.600826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.600826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.727400 (E_RNA)
where:
Base-Base interactions energy: -1352.291
where: short stacking energy: -570.675
Base-Backbone interact. energy: -0.168
local terms energy: -647.268799
where:
bonds (distance) C4'-P energy: -118.148
bonds (distance) P-C4' energy: -127.544
flat angles C4'-P-C4' energy: -149.696
flat angles P-C4'-P energy: -104.642
tors. eta vs tors. theta energy: -147.240
Dist. restrs. and SS energy: 3.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1905.301223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.301223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.485155 (E_RNA)
where:
Base-Base interactions energy: -1287.804
where: short stacking energy: -547.695
Base-Backbone interact. energy: -4.580
local terms energy: -617.100888
where:
bonds (distance) C4'-P energy: -121.176
bonds (distance) P-C4' energy: -118.761
flat angles C4'-P-C4' energy: -149.450
flat angles P-C4'-P energy: -87.298
tors. eta vs tors. theta energy: -140.416
Dist. restrs. and SS energy: 4.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2884.244196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.244196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.829254 (E_RNA)
where:
Base-Base interactions energy: -2008.711
where: short stacking energy: -818.102
Base-Backbone interact. energy: -4.341
local terms energy: -872.777204
where:
bonds (distance) C4'-P energy: -168.093
bonds (distance) P-C4' energy: -165.373
flat angles C4'-P-C4' energy: -170.253
flat angles P-C4'-P energy: -127.708
tors. eta vs tors. theta energy: -241.350
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: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2802.884432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.884432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.586870 (E_RNA)
where:
Base-Base interactions energy: -1938.878
where: short stacking energy: -840.231
Base-Backbone interact. energy: -4.582
local terms energy: -861.127149
where:
bonds (distance) C4'-P energy: -167.468
bonds (distance) P-C4' energy: -152.420
flat angles C4'-P-C4' energy: -182.841
flat angles P-C4'-P energy: -115.565
tors. eta vs tors. theta energy: -242.833
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2656.319949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.319949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.549324 (E_RNA)
where:
Base-Base interactions energy: -1845.569
where: short stacking energy: -748.529
Base-Backbone interact. energy: 4.108
local terms energy: -817.088645
where:
bonds (distance) C4'-P energy: -131.768
bonds (distance) P-C4' energy: -159.744
flat angles C4'-P-C4' energy: -178.704
flat angles P-C4'-P energy: -118.686
tors. eta vs tors. theta energy: -228.187
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2373.952742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.952742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.837389 (E_RNA)
where:
Base-Base interactions energy: -1601.004
where: short stacking energy: -686.305
Base-Backbone interact. energy: -1.493
local terms energy: -773.340450
where:
bonds (distance) C4'-P energy: -151.427
bonds (distance) P-C4' energy: -157.988
flat angles C4'-P-C4' energy: -159.781
flat angles P-C4'-P energy: -105.885
tors. eta vs tors. theta energy: -198.260
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: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2321.531173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.531173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.331403 (E_RNA)
where:
Base-Base interactions energy: -1588.115
where: short stacking energy: -685.772
Base-Backbone interact. energy: -3.226
local terms energy: -731.990086
where:
bonds (distance) C4'-P energy: -135.412
bonds (distance) P-C4' energy: -135.479
flat angles C4'-P-C4' energy: -158.783
flat angles P-C4'-P energy: -100.493
tors. eta vs tors. theta energy: -201.823
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: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2216.345198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.345198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.717225 (E_RNA)
where:
Base-Base interactions energy: -1498.018
where: short stacking energy: -659.669
Base-Backbone interact. energy: 3.263
local terms energy: -723.961751
where:
bonds (distance) C4'-P energy: -140.336
bonds (distance) P-C4' energy: -156.684
flat angles C4'-P-C4' energy: -148.498
flat angles P-C4'-P energy: -107.543
tors. eta vs tors. theta energy: -170.901
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2079.544341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.544341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.822217 (E_RNA)
where:
Base-Base interactions energy: -1372.815
where: short stacking energy: -609.359
Base-Backbone interact. energy: -3.265
local terms energy: -705.742364
where:
bonds (distance) C4'-P energy: -145.660
bonds (distance) P-C4' energy: -136.508
flat angles C4'-P-C4' energy: -166.314
flat angles P-C4'-P energy: -91.056
tors. eta vs tors. theta energy: -166.204
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: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2059.203274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.203274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.945778 (E_RNA)
where:
Base-Base interactions energy: -1401.900
where: short stacking energy: -594.046
Base-Backbone interact. energy: -1.147
local terms energy: -657.898312
where:
bonds (distance) C4'-P energy: -136.709
bonds (distance) P-C4' energy: -122.552
flat angles C4'-P-C4' energy: -127.091
flat angles P-C4'-P energy: -104.509
tors. eta vs tors. theta energy: -167.038
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1975.062144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.062144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.659514 (E_RNA)
where:
Base-Base interactions energy: -1353.913
where: short stacking energy: -569.595
Base-Backbone interact. energy: 10.241
local terms energy: -634.988082
where:
bonds (distance) C4'-P energy: -130.322
bonds (distance) P-C4' energy: -124.317
flat angles C4'-P-C4' energy: -119.117
flat angles P-C4'-P energy: -108.557
tors. eta vs tors. theta energy: -152.676
Dist. restrs. and SS energy: 3.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1866.984561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.984561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.090633 (E_RNA)
where:
Base-Base interactions energy: -1248.243
where: short stacking energy: -527.168
Base-Backbone interact. energy: 0.713
local terms energy: -623.560800
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -147.911
flat angles C4'-P-C4' energy: -138.949
flat angles P-C4'-P energy: -89.094
tors. eta vs tors. theta energy: -131.810
Dist. restrs. and SS energy: 4.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2868.193932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.193932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.087929 (E_RNA)
where:
Base-Base interactions energy: -1996.721
where: short stacking energy: -834.243
Base-Backbone interact. energy: -3.055
local terms energy: -869.312508
where:
bonds (distance) C4'-P energy: -162.973
bonds (distance) P-C4' energy: -148.655
flat angles C4'-P-C4' energy: -189.337
flat angles P-C4'-P energy: -121.866
tors. eta vs tors. theta energy: -246.481
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2790.767088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.767088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.913453 (E_RNA)
where:
Base-Base interactions energy: -1931.949
where: short stacking energy: -813.925
Base-Backbone interact. energy: -2.548
local terms energy: -857.416822
where:
bonds (distance) C4'-P energy: -152.280
bonds (distance) P-C4' energy: -156.386
flat angles C4'-P-C4' energy: -186.745
flat angles P-C4'-P energy: -111.534
tors. eta vs tors. theta energy: -250.472
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2656.591730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.591730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.893657 (E_RNA)
where:
Base-Base interactions energy: -1853.832
where: short stacking energy: -772.314
Base-Backbone interact. energy: -0.969
local terms energy: -803.092844
where:
bonds (distance) C4'-P energy: -152.740
bonds (distance) P-C4' energy: -133.215
flat angles C4'-P-C4' energy: -183.525
flat angles P-C4'-P energy: -107.822
tors. eta vs tors. theta energy: -225.791
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2422.763828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.763828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.918333 (E_RNA)
where:
Base-Base interactions energy: -1632.098
where: short stacking energy: -745.159
Base-Backbone interact. energy: -0.709
local terms energy: -792.111315
where:
bonds (distance) C4'-P energy: -153.828
bonds (distance) P-C4' energy: -152.954
flat angles C4'-P-C4' energy: -173.339
flat angles P-C4'-P energy: -104.116
tors. eta vs tors. theta energy: -207.874
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: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2316.804185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.804185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.315754 (E_RNA)
where:
Base-Base interactions energy: -1573.452
where: short stacking energy: -674.211
Base-Backbone interact. energy: -1.602
local terms energy: -744.261910
where:
bonds (distance) C4'-P energy: -127.913
bonds (distance) P-C4' energy: -152.840
flat angles C4'-P-C4' energy: -159.556
flat angles P-C4'-P energy: -110.396
tors. eta vs tors. theta energy: -193.557
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: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2228.761080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.761080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.515318 (E_RNA)
where:
Base-Base interactions energy: -1489.237
where: short stacking energy: -666.313
Base-Backbone interact. energy: -6.843
local terms energy: -735.436058
where:
bonds (distance) C4'-P energy: -126.796
bonds (distance) P-C4' energy: -150.754
flat angles C4'-P-C4' energy: -164.219
flat angles P-C4'-P energy: -107.896
tors. eta vs tors. theta energy: -185.770
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: 194
Temperature: 1.200000
Total energy: -2073.380079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.380079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.915394 (E_RNA)
where:
Base-Base interactions energy: -1411.681
where: short stacking energy: -579.956
Base-Backbone interact. energy: 3.679
local terms energy: -666.913512
where:
bonds (distance) C4'-P energy: -132.253
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -161.264
flat angles P-C4'-P energy: -97.211
tors. eta vs tors. theta energy: -162.376
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: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2043.744296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.744296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.976679 (E_RNA)
where:
Base-Base interactions energy: -1403.842
where: short stacking energy: -573.039
Base-Backbone interact. energy: -3.682
local terms energy: -638.452306
where:
bonds (distance) C4'-P energy: -132.591
bonds (distance) P-C4' energy: -137.318
flat angles C4'-P-C4' energy: -131.489
flat angles P-C4'-P energy: -89.544
tors. eta vs tors. theta energy: -147.511
Dist. restrs. and SS energy: 2.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1969.538267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.538267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.783505 (E_RNA)
where:
Base-Base interactions energy: -1347.061
where: short stacking energy: -569.163
Base-Backbone interact. energy: 4.246
local terms energy: -628.967564
where:
bonds (distance) C4'-P energy: -130.000
bonds (distance) P-C4' energy: -114.540
flat angles C4'-P-C4' energy: -145.820
flat angles P-C4'-P energy: -104.384
tors. eta vs tors. theta energy: -134.225
Dist. restrs. and SS energy: 2.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1862.370983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.370983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.355204 (E_RNA)
where:
Base-Base interactions energy: -1292.196
where: short stacking energy: -528.115
Base-Backbone interact. energy: 5.479
local terms energy: -580.638813
where:
bonds (distance) C4'-P energy: -102.689
bonds (distance) P-C4' energy: -126.780
flat angles C4'-P-C4' energy: -142.911
flat angles P-C4'-P energy: -83.704
tors. eta vs tors. theta energy: -124.555
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: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2910.315150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.315150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.074588 (E_RNA)
where:
Base-Base interactions energy: -1999.907
where: short stacking energy: -837.952
Base-Backbone interact. energy: -5.215
local terms energy: -906.953004
where:
bonds (distance) C4'-P energy: -176.953
bonds (distance) P-C4' energy: -164.708
flat angles C4'-P-C4' energy: -185.499
flat angles P-C4'-P energy: -127.461
tors. eta vs tors. theta energy: -252.332
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: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2841.827743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.827743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.449088 (E_RNA)
where:
Base-Base interactions energy: -1958.309
where: short stacking energy: -833.994
Base-Backbone interact. energy: -3.518
local terms energy: -881.621516
where:
bonds (distance) C4'-P energy: -153.843
bonds (distance) P-C4' energy: -155.788
flat angles C4'-P-C4' energy: -190.573
flat angles P-C4'-P energy: -121.841
tors. eta vs tors. theta energy: -259.577
Dist. restrs. and SS energy: 1.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2640.514346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.514346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.494374 (E_RNA)
where:
Base-Base interactions energy: -1845.803
where: short stacking energy: -753.344
Base-Backbone interact. energy: 4.005
local terms energy: -800.696604
where:
bonds (distance) C4'-P energy: -144.573
bonds (distance) P-C4' energy: -156.754
flat angles C4'-P-C4' energy: -178.314
flat angles P-C4'-P energy: -109.014
tors. eta vs tors. theta energy: -212.040
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2411.712718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.712718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.978436 (E_RNA)
where:
Base-Base interactions energy: -1605.581
where: short stacking energy: -702.360
Base-Backbone interact. energy: -0.383
local terms energy: -807.013999
where:
bonds (distance) C4'-P energy: -157.481
bonds (distance) P-C4' energy: -151.924
flat angles C4'-P-C4' energy: -177.910
flat angles P-C4'-P energy: -116.184
tors. eta vs tors. theta energy: -203.515
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2358.955869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.955869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.157905 (E_RNA)
where:
Base-Base interactions energy: -1583.757
where: short stacking energy: -692.556
Base-Backbone interact. energy: 3.139
local terms energy: -779.540429
where:
bonds (distance) C4'-P energy: -161.556
bonds (distance) P-C4' energy: -129.422
flat angles C4'-P-C4' energy: -178.775
flat angles P-C4'-P energy: -106.858
tors. eta vs tors. theta energy: -202.929
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2229.844855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.844855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.264960 (E_RNA)
where:
Base-Base interactions energy: -1514.024
where: short stacking energy: -654.768
Base-Backbone interact. energy: 0.558
local terms energy: -717.798930
where:
bonds (distance) C4'-P energy: -135.864
bonds (distance) P-C4' energy: -143.573
flat angles C4'-P-C4' energy: -169.114
flat angles P-C4'-P energy: -93.085
tors. eta vs tors. theta energy: -176.163
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2103.790889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.790889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.889305 (E_RNA)
where:
Base-Base interactions energy: -1442.775
where: short stacking energy: -593.293
Base-Backbone interact. energy: 6.435
local terms energy: -669.548646
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -150.506
flat angles C4'-P-C4' energy: -142.116
flat angles P-C4'-P energy: -94.868
tors. eta vs tors. theta energy: -161.229
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: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2053.546819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.546819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.088758 (E_RNA)
where:
Base-Base interactions energy: -1411.630
where: short stacking energy: -599.475
Base-Backbone interact. energy: 4.653
local terms energy: -650.111179
where:
bonds (distance) C4'-P energy: -115.928
bonds (distance) P-C4' energy: -141.380
flat angles C4'-P-C4' energy: -128.554
flat angles P-C4'-P energy: -109.708
tors. eta vs tors. theta energy: -154.541
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1972.590069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.590069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.800171 (E_RNA)
where:
Base-Base interactions energy: -1337.733
where: short stacking energy: -556.844
Base-Backbone interact. energy: -5.301
local terms energy: -631.765523
where:
bonds (distance) C4'-P energy: -145.961
bonds (distance) P-C4' energy: -130.930
flat angles C4'-P-C4' energy: -114.167
flat angles P-C4'-P energy: -110.434
tors. eta vs tors. theta energy: -130.273
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: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1864.103576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.103576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.469090 (E_RNA)
where:
Base-Base interactions energy: -1282.951
where: short stacking energy: -517.056
Base-Backbone interact. energy: -1.485
local terms energy: -582.032847
where:
bonds (distance) C4'-P energy: -122.619
bonds (distance) P-C4' energy: -127.101
flat angles C4'-P-C4' energy: -119.589
flat angles P-C4'-P energy: -78.774
tors. eta vs tors. theta energy: -133.949
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: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2867.843013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.843013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.641460 (E_RNA)
where:
Base-Base interactions energy: -2000.958
where: short stacking energy: -841.028
Base-Backbone interact. energy: -4.639
local terms energy: -863.044241
where:
bonds (distance) C4'-P energy: -144.273
bonds (distance) P-C4' energy: -177.135
flat angles C4'-P-C4' energy: -178.511
flat angles P-C4'-P energy: -115.822
tors. eta vs tors. theta energy: -247.303
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: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2814.006219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.006219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.984560 (E_RNA)
where:
Base-Base interactions energy: -1975.090
where: short stacking energy: -817.497
Base-Backbone interact. energy: -6.231
local terms energy: -833.663733
where:
bonds (distance) C4'-P energy: -161.962
bonds (distance) P-C4' energy: -143.379
flat angles C4'-P-C4' energy: -170.827
flat angles P-C4'-P energy: -116.226
tors. eta vs tors. theta energy: -241.270
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2670.805394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.805394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.934793 (E_RNA)
where:
Base-Base interactions energy: -1831.926
where: short stacking energy: -791.461
Base-Backbone interact. energy: -1.630
local terms energy: -838.378020
where:
bonds (distance) C4'-P energy: -158.776
bonds (distance) P-C4' energy: -160.228
flat angles C4'-P-C4' energy: -175.890
flat angles P-C4'-P energy: -118.048
tors. eta vs tors. theta energy: -225.436
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2396.916995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.916995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.341066 (E_RNA)
where:
Base-Base interactions energy: -1597.691
where: short stacking energy: -702.144
Base-Backbone interact. energy: -2.001
local terms energy: -803.649449
where:
bonds (distance) C4'-P energy: -143.880
bonds (distance) P-C4' energy: -169.726
flat angles C4'-P-C4' energy: -173.735
flat angles P-C4'-P energy: -107.764
tors. eta vs tors. theta energy: -208.545
Dist. restrs. and SS energy: 6.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2301.233401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.233401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.778501 (E_RNA)
where:
Base-Base interactions energy: -1593.695
where: short stacking energy: -671.527
Base-Backbone interact. energy: -3.301
local terms energy: -705.781978
where:
bonds (distance) C4'-P energy: -104.447
bonds (distance) P-C4' energy: -139.906
flat angles C4'-P-C4' energy: -160.081
flat angles P-C4'-P energy: -117.744
tors. eta vs tors. theta energy: -183.605
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2190.613646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.613646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.155571 (E_RNA)
where:
Base-Base interactions energy: -1459.776
where: short stacking energy: -626.765
Base-Backbone interact. energy: 3.718
local terms energy: -736.097257
where:
bonds (distance) C4'-P energy: -146.497
bonds (distance) P-C4' energy: -160.218
flat angles C4'-P-C4' energy: -154.516
flat angles P-C4'-P energy: -105.331
tors. eta vs tors. theta energy: -169.535
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: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2074.078674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.078674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.537001 (E_RNA)
where:
Base-Base interactions energy: -1374.235
where: short stacking energy: -592.569
Base-Backbone interact. energy: 2.544
local terms energy: -704.845468
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -141.655
flat angles P-C4'-P energy: -98.382
tors. eta vs tors. theta energy: -175.083
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2023.720630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.720630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.347594 (E_RNA)
where:
Base-Base interactions energy: -1358.901
where: short stacking energy: -580.837
Base-Backbone interact. energy: -1.601
local terms energy: -664.845381
where:
bonds (distance) C4'-P energy: -127.551
bonds (distance) P-C4' energy: -143.415
flat angles C4'-P-C4' energy: -153.299
flat angles P-C4'-P energy: -97.312
tors. eta vs tors. theta energy: -143.269
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: 4
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1939.655500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.655500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.352196 (E_RNA)
where:
Base-Base interactions energy: -1318.384
where: short stacking energy: -571.464
Base-Backbone interact. energy: -1.339
local terms energy: -623.628655
where:
bonds (distance) C4'-P energy: -115.459
bonds (distance) P-C4' energy: -148.837
flat angles C4'-P-C4' energy: -149.423
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -141.894
Dist. restrs. and SS energy: 3.697 (S_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: 196
Temperature: 1.350000
Total energy: -1851.133379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.133379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.950413 (E_RNA)
where:
Base-Base interactions energy: -1275.387
where: short stacking energy: -561.744
Base-Backbone interact. energy: -3.038
local terms energy: -578.525029
where:
bonds (distance) C4'-P energy: -105.846
bonds (distance) P-C4' energy: -121.010
flat angles C4'-P-C4' energy: -136.378
flat angles P-C4'-P energy: -80.746
tors. eta vs tors. theta energy: -134.545
Dist. restrs. and SS energy: 5.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2861.922002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.922002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.118032 (E_RNA)
where:
Base-Base interactions energy: -2002.576
where: short stacking energy: -844.288
Base-Backbone interact. energy: 0.726
local terms energy: -861.268806
where:
bonds (distance) C4'-P energy: -159.080
bonds (distance) P-C4' energy: -150.066
flat angles C4'-P-C4' energy: -186.043
flat angles P-C4'-P energy: -120.196
tors. eta vs tors. theta energy: -245.884
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2823.518401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.518401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.294695 (E_RNA)
where:
Base-Base interactions energy: -1949.345
where: short stacking energy: -829.781
Base-Backbone interact. energy: -0.587
local terms energy: -875.362246
where:
bonds (distance) C4'-P energy: -149.786
bonds (distance) P-C4' energy: -169.085
flat angles C4'-P-C4' energy: -178.490
flat angles P-C4'-P energy: -135.077
tors. eta vs tors. theta energy: -242.924
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2680.554732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.554732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.338697 (E_RNA)
where:
Base-Base interactions energy: -1850.367
where: short stacking energy: -765.135
Base-Backbone interact. energy: 4.851
local terms energy: -835.822688
where:
bonds (distance) C4'-P energy: -155.701
bonds (distance) P-C4' energy: -154.011
flat angles C4'-P-C4' energy: -185.473
flat angles P-C4'-P energy: -118.623
tors. eta vs tors. theta energy: -222.014
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2420.785629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.785629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.591370 (E_RNA)
where:
Base-Base interactions energy: -1653.576
where: short stacking energy: -716.317
Base-Backbone interact. energy: 1.919
local terms energy: -771.934625
where:
bonds (distance) C4'-P energy: -146.131
bonds (distance) P-C4' energy: -146.597
flat angles C4'-P-C4' energy: -164.928
flat angles P-C4'-P energy: -109.709
tors. eta vs tors. theta energy: -204.570
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2347.829707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.829707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.515788 (E_RNA)
where:
Base-Base interactions energy: -1609.550
where: short stacking energy: -735.387
Base-Backbone interact. energy: -0.703
local terms energy: -739.262414
where:
bonds (distance) C4'-P energy: -138.737
bonds (distance) P-C4' energy: -131.576
flat angles C4'-P-C4' energy: -176.550
flat angles P-C4'-P energy: -94.446
tors. eta vs tors. theta energy: -197.954
Dist. restrs. and SS energy: 1.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2209.357318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.357318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.955978 (E_RNA)
where:
Base-Base interactions energy: -1516.736
where: short stacking energy: -660.011
Base-Backbone interact. energy: 6.962
local terms energy: -703.181653
where:
bonds (distance) C4'-P energy: -147.988
bonds (distance) P-C4' energy: -136.213
flat angles C4'-P-C4' energy: -139.475
flat angles P-C4'-P energy: -99.114
tors. eta vs tors. theta energy: -180.391
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2098.038622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.038622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.976009 (E_RNA)
where:
Base-Base interactions energy: -1411.361
where: short stacking energy: -606.313
Base-Backbone interact. energy: -3.063
local terms energy: -685.552118
where:
bonds (distance) C4'-P energy: -129.897
bonds (distance) P-C4' energy: -154.611
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -83.871
tors. eta vs tors. theta energy: -164.336
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1992.055355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.055355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.943995 (E_RNA)
where:
Base-Base interactions energy: -1326.690
where: short stacking energy: -585.366
Base-Backbone interact. energy: -2.242
local terms energy: -666.012484
where:
bonds (distance) C4'-P energy: -122.294
bonds (distance) P-C4' energy: -156.385
flat angles C4'-P-C4' energy: -145.954
flat angles P-C4'-P energy: -94.937
tors. eta vs tors. theta energy: -146.441
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1948.230918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.230918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.008646 (E_RNA)
where:
Base-Base interactions energy: -1340.317
where: short stacking energy: -569.767
Base-Backbone interact. energy: 7.032
local terms energy: -616.723886
where:
bonds (distance) C4'-P energy: -138.343
bonds (distance) P-C4' energy: -104.871
flat angles C4'-P-C4' energy: -136.970
flat angles P-C4'-P energy: -87.334
tors. eta vs tors. theta energy: -149.205
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: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1858.115148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.115148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.332423 (E_RNA)
where:
Base-Base interactions energy: -1282.367
where: short stacking energy: -516.406
Base-Backbone interact. energy: -1.598
local terms energy: -578.367852
where:
bonds (distance) C4'-P energy: -123.514
bonds (distance) P-C4' energy: -106.125
flat angles C4'-P-C4' energy: -121.318
flat angles P-C4'-P energy: -93.073
tors. eta vs tors. theta energy: -134.337
Dist. restrs. and SS energy: 4.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2884.637205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.637205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.756459 (E_RNA)
where:
Base-Base interactions energy: -2003.075
where: short stacking energy: -844.189
Base-Backbone interact. energy: -2.074
local terms energy: -880.606840
where:
bonds (distance) C4'-P energy: -173.607
bonds (distance) P-C4' energy: -160.713
flat angles C4'-P-C4' energy: -186.010
flat angles P-C4'-P energy: -108.453
tors. eta vs tors. theta energy: -251.824
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: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2807.283617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.283617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.852713 (E_RNA)
where:
Base-Base interactions energy: -1976.562
where: short stacking energy: -815.597
Base-Backbone interact. energy: -2.813
local terms energy: -829.477997
where:
bonds (distance) C4'-P energy: -150.256
bonds (distance) P-C4' energy: -144.719
flat angles C4'-P-C4' energy: -183.716
flat angles P-C4'-P energy: -116.571
tors. eta vs tors. theta energy: -234.217
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2660.561122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.561122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.893409 (E_RNA)
where:
Base-Base interactions energy: -1823.449
where: short stacking energy: -764.403
Base-Backbone interact. energy: -0.321
local terms energy: -838.124263
where:
bonds (distance) C4'-P energy: -144.926
bonds (distance) P-C4' energy: -151.421
flat angles C4'-P-C4' energy: -196.733
flat angles P-C4'-P energy: -121.467
tors. eta vs tors. theta energy: -223.577
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: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2393.360144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.360144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.658135 (E_RNA)
where:
Base-Base interactions energy: -1612.931
where: short stacking energy: -694.414
Base-Backbone interact. energy: -5.223
local terms energy: -777.503782
where:
bonds (distance) C4'-P energy: -144.363
bonds (distance) P-C4' energy: -158.101
flat angles C4'-P-C4' energy: -157.330
flat angles P-C4'-P energy: -125.416
tors. eta vs tors. theta energy: -192.294
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: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2327.056730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.056730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.944456 (E_RNA)
where:
Base-Base interactions energy: -1561.674
where: short stacking energy: -678.434
Base-Backbone interact. energy: 0.584
local terms energy: -767.854596
where:
bonds (distance) C4'-P energy: -140.728
bonds (distance) P-C4' energy: -161.500
flat angles C4'-P-C4' energy: -152.043
flat angles P-C4'-P energy: -108.939
tors. eta vs tors. theta energy: -204.645
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: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2226.363645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.363645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.787046 (E_RNA)
where:
Base-Base interactions energy: -1507.319
where: short stacking energy: -637.664
Base-Backbone interact. energy: -3.568
local terms energy: -716.900610
where:
bonds (distance) C4'-P energy: -140.569
bonds (distance) P-C4' energy: -149.339
flat angles C4'-P-C4' energy: -145.256
flat angles P-C4'-P energy: -112.560
tors. eta vs tors. theta energy: -169.177
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2121.186904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.186904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.159468 (E_RNA)
where:
Base-Base interactions energy: -1431.544
where: short stacking energy: -648.602
Base-Backbone interact. energy: -0.141
local terms energy: -692.474488
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -137.431
flat angles C4'-P-C4' energy: -150.092
flat angles P-C4'-P energy: -95.148
tors. eta vs tors. theta energy: -171.232
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: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2003.373016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.373016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.019374 (E_RNA)
where:
Base-Base interactions energy: -1365.995
where: short stacking energy: -591.263
Base-Backbone interact. energy: 0.603
local terms energy: -643.627428
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -130.806
flat angles C4'-P-C4' energy: -154.213
flat angles P-C4'-P energy: -75.854
tors. eta vs tors. theta energy: -160.457
Dist. restrs. and SS energy: 5.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1936.441536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.441536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.135707 (E_RNA)
where:
Base-Base interactions energy: -1330.722
where: short stacking energy: -554.777
Base-Backbone interact. energy: 1.052
local terms energy: -609.466234
where:
bonds (distance) C4'-P energy: -126.610
bonds (distance) P-C4' energy: -112.256
flat angles C4'-P-C4' energy: -138.055
flat angles P-C4'-P energy: -88.058
tors. eta vs tors. theta energy: -144.487
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: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1878.566509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.566509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.545743 (E_RNA)
where:
Base-Base interactions energy: -1254.412
where: short stacking energy: -512.176
Base-Backbone interact. energy: -0.164
local terms energy: -626.969581
where:
bonds (distance) C4'-P energy: -117.796
bonds (distance) P-C4' energy: -162.483
flat angles C4'-P-C4' energy: -145.987
flat angles P-C4'-P energy: -80.819
tors. eta vs tors. theta energy: -119.884
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2864.971352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.971352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.359089 (E_RNA)
where:
Base-Base interactions energy: -1972.247
where: short stacking energy: -817.821
Base-Backbone interact. energy: -3.203
local terms energy: -890.909715
where:
bonds (distance) C4'-P energy: -155.300
bonds (distance) P-C4' energy: -171.782
flat angles C4'-P-C4' energy: -196.272
flat angles P-C4'-P energy: -129.068
tors. eta vs tors. theta energy: -238.489
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2787.963653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.963653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.528588 (E_RNA)
where:
Base-Base interactions energy: -1943.126
where: short stacking energy: -798.810
Base-Backbone interact. energy: -1.269
local terms energy: -845.133195
where:
bonds (distance) C4'-P energy: -169.906
bonds (distance) P-C4' energy: -156.825
flat angles C4'-P-C4' energy: -174.316
flat angles P-C4'-P energy: -118.646
tors. eta vs tors. theta energy: -225.440
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2668.231970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.231970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.985798 (E_RNA)
where:
Base-Base interactions energy: -1827.292
where: short stacking energy: -790.935
Base-Backbone interact. energy: -3.412
local terms energy: -840.282046
where:
bonds (distance) C4'-P energy: -148.856
bonds (distance) P-C4' energy: -153.819
flat angles C4'-P-C4' energy: -182.545
flat angles P-C4'-P energy: -124.910
tors. eta vs tors. theta energy: -230.152
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: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2434.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.719589 (E_RNA)
where:
Base-Base interactions energy: -1649.859
where: short stacking energy: -706.097
Base-Backbone interact. energy: 1.037
local terms energy: -786.898171
where:
bonds (distance) C4'-P energy: -149.814
bonds (distance) P-C4' energy: -144.028
flat angles C4'-P-C4' energy: -168.604
flat angles P-C4'-P energy: -116.614
tors. eta vs tors. theta energy: -207.838
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2322.925815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.925815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.325190 (E_RNA)
where:
Base-Base interactions energy: -1544.911
where: short stacking energy: -668.346
Base-Backbone interact. energy: -2.392
local terms energy: -779.022424
where:
bonds (distance) C4'-P energy: -153.835
bonds (distance) P-C4' energy: -139.394
flat angles C4'-P-C4' energy: -175.932
flat angles P-C4'-P energy: -115.716
tors. eta vs tors. theta energy: -194.146
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2217.954087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.954087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.057934 (E_RNA)
where:
Base-Base interactions energy: -1496.856
where: short stacking energy: -644.078
Base-Backbone interact. energy: 0.914
local terms energy: -724.115237
where:
bonds (distance) C4'-P energy: -144.095
bonds (distance) P-C4' energy: -148.195
flat angles C4'-P-C4' energy: -156.238
flat angles P-C4'-P energy: -96.623
tors. eta vs tors. theta energy: -178.963
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: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2093.117235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.117235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.674601 (E_RNA)
where:
Base-Base interactions energy: -1421.344
where: short stacking energy: -609.097
Base-Backbone interact. energy: -3.490
local terms energy: -669.841012
where:
bonds (distance) C4'-P energy: -143.682
bonds (distance) P-C4' energy: -133.385
flat angles C4'-P-C4' energy: -140.639
flat angles P-C4'-P energy: -94.714
tors. eta vs tors. theta energy: -157.421
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: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2027.472127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.472127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.619422 (E_RNA)
where:
Base-Base interactions energy: -1373.613
where: short stacking energy: -578.657
Base-Backbone interact. energy: -0.218
local terms energy: -655.788186
where:
bonds (distance) C4'-P energy: -116.267
bonds (distance) P-C4' energy: -125.866
flat angles C4'-P-C4' energy: -166.093
flat angles P-C4'-P energy: -110.625
tors. eta vs tors. theta energy: -136.937
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: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1964.063680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.063680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.144510 (E_RNA)
where:
Base-Base interactions energy: -1341.455
where: short stacking energy: -565.797
Base-Backbone interact. energy: 2.677
local terms energy: -628.366575
where:
bonds (distance) C4'-P energy: -128.193
bonds (distance) P-C4' energy: -135.568
flat angles C4'-P-C4' energy: -150.487
flat angles P-C4'-P energy: -78.675
tors. eta vs tors. theta energy: -135.444
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1890.097684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.097684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.457877 (E_RNA)
where:
Base-Base interactions energy: -1298.528
where: short stacking energy: -536.771
Base-Backbone interact. energy: 6.806
local terms energy: -600.736166
where:
bonds (distance) C4'-P energy: -118.723
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -134.248
flat angles P-C4'-P energy: -82.015
tors. eta vs tors. theta energy: -127.252
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2871.565432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.565432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.557653 (E_RNA)
where:
Base-Base interactions energy: -1981.508
where: short stacking energy: -827.956
Base-Backbone interact. energy: 0.607
local terms energy: -891.657230
where:
bonds (distance) C4'-P energy: -171.491
bonds (distance) P-C4' energy: -153.679
flat angles C4'-P-C4' energy: -189.478
flat angles P-C4'-P energy: -134.127
tors. eta vs tors. theta energy: -242.881
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: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2814.960333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.960333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.062416 (E_RNA)
where:
Base-Base interactions energy: -1927.137
where: short stacking energy: -825.193
Base-Backbone interact. energy: -1.435
local terms energy: -887.490490
where:
bonds (distance) C4'-P energy: -171.459
bonds (distance) P-C4' energy: -164.367
flat angles C4'-P-C4' energy: -189.727
flat angles P-C4'-P energy: -119.150
tors. eta vs tors. theta energy: -242.787
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: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2643.071364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.071364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.384745 (E_RNA)
where:
Base-Base interactions energy: -1826.584
where: short stacking energy: -779.713
Base-Backbone interact. energy: -0.135
local terms energy: -817.665891
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -156.348
flat angles C4'-P-C4' energy: -176.702
flat angles P-C4'-P energy: -117.415
tors. eta vs tors. theta energy: -232.160
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2453.085869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.085869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.122459 (E_RNA)
where:
Base-Base interactions energy: -1655.267
where: short stacking energy: -738.597
Base-Backbone interact. energy: 0.199
local terms energy: -800.054577
where:
bonds (distance) C4'-P energy: -157.208
bonds (distance) P-C4' energy: -144.204
flat angles C4'-P-C4' energy: -171.062
flat angles P-C4'-P energy: -111.773
tors. eta vs tors. theta energy: -215.807
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: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2344.976604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.976604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.745465 (E_RNA)
where:
Base-Base interactions energy: -1581.224
where: short stacking energy: -697.733
Base-Backbone interact. energy: 3.605
local terms energy: -770.126656
where:
bonds (distance) C4'-P energy: -134.846
bonds (distance) P-C4' energy: -153.139
flat angles C4'-P-C4' energy: -169.948
flat angles P-C4'-P energy: -104.954
tors. eta vs tors. theta energy: -207.239
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: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2186.667518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.667518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.044431 (E_RNA)
where:
Base-Base interactions energy: -1447.082
where: short stacking energy: -619.270
Base-Backbone interact. energy: -6.023
local terms energy: -734.939396
where:
bonds (distance) C4'-P energy: -139.317
bonds (distance) P-C4' energy: -149.552
flat angles C4'-P-C4' energy: -162.186
flat angles P-C4'-P energy: -100.177
tors. eta vs tors. theta energy: -183.707
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: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2123.365921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.365921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.546406 (E_RNA)
where:
Base-Base interactions energy: -1446.348
where: short stacking energy: -638.954
Base-Backbone interact. energy: 0.028
local terms energy: -679.226257
where:
bonds (distance) C4'-P energy: -120.693
bonds (distance) P-C4' energy: -135.808
flat angles C4'-P-C4' energy: -153.332
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -174.229
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2013.730671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.730671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.976428 (E_RNA)
where:
Base-Base interactions energy: -1356.114
where: short stacking energy: -575.875
Base-Backbone interact. energy: -0.145
local terms energy: -660.717296
where:
bonds (distance) C4'-P energy: -119.218
bonds (distance) P-C4' energy: -152.067
flat angles C4'-P-C4' energy: -148.745
flat angles P-C4'-P energy: -100.736
tors. eta vs tors. theta energy: -139.951
Dist. restrs. and SS energy: 3.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1947.196187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.196187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.167987 (E_RNA)
where:
Base-Base interactions energy: -1285.352
where: short stacking energy: -561.543
Base-Backbone interact. energy: -2.694
local terms energy: -663.122278
where:
bonds (distance) C4'-P energy: -119.484
bonds (distance) P-C4' energy: -141.226
flat angles C4'-P-C4' energy: -151.281
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -143.251
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: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1883.465284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.465284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.128972 (E_RNA)
where:
Base-Base interactions energy: -1288.796
where: short stacking energy: -537.777
Base-Backbone interact. energy: -0.790
local terms energy: -599.542828
where:
bonds (distance) C4'-P energy: -112.775
bonds (distance) P-C4' energy: -150.047
flat angles C4'-P-C4' energy: -136.591
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -120.427
Dist. restrs. and SS energy: 5.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2855.182146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.182146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.011382 (E_RNA)
where:
Base-Base interactions energy: -1961.422
where: short stacking energy: -824.469
Base-Backbone interact. energy: -1.751
local terms energy: -893.838307
where:
bonds (distance) C4'-P energy: -173.239
bonds (distance) P-C4' energy: -169.565
flat angles C4'-P-C4' energy: -187.478
flat angles P-C4'-P energy: -114.734
tors. eta vs tors. theta energy: -248.822
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2803.772316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.772316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.129054 (E_RNA)
where:
Base-Base interactions energy: -1953.661
where: short stacking energy: -830.428
Base-Backbone interact. energy: -5.865
local terms energy: -845.603234
where:
bonds (distance) C4'-P energy: -155.953
bonds (distance) P-C4' energy: -147.577
flat angles C4'-P-C4' energy: -171.418
flat angles P-C4'-P energy: -120.393
tors. eta vs tors. theta energy: -250.262
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: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2662.669778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.669778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.793389 (E_RNA)
where:
Base-Base interactions energy: -1851.254
where: short stacking energy: -770.544
Base-Backbone interact. energy: -3.662
local terms energy: -809.877080
where:
bonds (distance) C4'-P energy: -143.822
bonds (distance) P-C4' energy: -140.940
flat angles C4'-P-C4' energy: -180.532
flat angles P-C4'-P energy: -109.648
tors. eta vs tors. theta energy: -234.935
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2436.566288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.566288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.517615 (E_RNA)
where:
Base-Base interactions energy: -1612.551
where: short stacking energy: -737.510
Base-Backbone interact. energy: -2.396
local terms energy: -824.570623
where:
bonds (distance) C4'-P energy: -138.553
bonds (distance) P-C4' energy: -144.088
flat angles C4'-P-C4' energy: -184.712
flat angles P-C4'-P energy: -125.763
tors. eta vs tors. theta energy: -231.455
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2342.168319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.168319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.541017 (E_RNA)
where:
Base-Base interactions energy: -1595.089
where: short stacking energy: -693.308
Base-Backbone interact. energy: 5.765
local terms energy: -755.217554
where:
bonds (distance) C4'-P energy: -148.125
bonds (distance) P-C4' energy: -143.774
flat angles C4'-P-C4' energy: -178.544
flat angles P-C4'-P energy: -90.373
tors. eta vs tors. theta energy: -194.401
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: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2158.760414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.760414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.582658 (E_RNA)
where:
Base-Base interactions energy: -1464.431
where: short stacking energy: -624.118
Base-Backbone interact. energy: 0.105
local terms energy: -697.257169
where:
bonds (distance) C4'-P energy: -129.204
bonds (distance) P-C4' energy: -140.984
flat angles C4'-P-C4' energy: -165.174
flat angles P-C4'-P energy: -90.763
tors. eta vs tors. theta energy: -171.132
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: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2072.399892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.399892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.457556 (E_RNA)
where:
Base-Base interactions energy: -1383.500
where: short stacking energy: -609.893
Base-Backbone interact. energy: 7.856
local terms energy: -698.812838
where:
bonds (distance) C4'-P energy: -143.846
bonds (distance) P-C4' energy: -132.143
flat angles C4'-P-C4' energy: -164.360
flat angles P-C4'-P energy: -85.418
tors. eta vs tors. theta energy: -173.046
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2004.090088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.090088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.817070 (E_RNA)
where:
Base-Base interactions energy: -1382.061
where: short stacking energy: -565.610
Base-Backbone interact. energy: -1.601
local terms energy: -623.154914
where:
bonds (distance) C4'-P energy: -101.882
bonds (distance) P-C4' energy: -146.265
flat angles C4'-P-C4' energy: -150.381
flat angles P-C4'-P energy: -91.909
tors. eta vs tors. theta energy: -132.718
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: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1907.820723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.820723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.690550 (E_RNA)
where:
Base-Base interactions energy: -1284.305
where: short stacking energy: -535.871
Base-Backbone interact. energy: 1.609
local terms energy: -632.994761
where:
bonds (distance) C4'-P energy: -129.878
bonds (distance) P-C4' energy: -122.252
flat angles C4'-P-C4' energy: -139.257
flat angles P-C4'-P energy: -98.439
tors. eta vs tors. theta energy: -143.169
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: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1856.702793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.702793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.001148 (E_RNA)
where:
Base-Base interactions energy: -1255.368
where: short stacking energy: -524.482
Base-Backbone interact. energy: 4.034
local terms energy: -609.667222
where:
bonds (distance) C4'-P energy: -136.223
bonds (distance) P-C4' energy: -114.448
flat angles C4'-P-C4' energy: -129.793
flat angles P-C4'-P energy: -84.875
tors. eta vs tors. theta energy: -144.328
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2862.729696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.729696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.295200 (E_RNA)
where:
Base-Base interactions energy: -1977.491
where: short stacking energy: -846.998
Base-Backbone interact. energy: -5.543
local terms energy: -881.261046
where:
bonds (distance) C4'-P energy: -157.374
bonds (distance) P-C4' energy: -168.663
flat angles C4'-P-C4' energy: -180.337
flat angles P-C4'-P energy: -126.310
tors. eta vs tors. theta energy: -248.577
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: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2837.962884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.962884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.779682 (E_RNA)
where:
Base-Base interactions energy: -1970.885
where: short stacking energy: -848.908
Base-Backbone interact. energy: -5.007
local terms energy: -863.887267
where:
bonds (distance) C4'-P energy: -157.907
bonds (distance) P-C4' energy: -163.540
flat angles C4'-P-C4' energy: -187.766
flat angles P-C4'-P energy: -111.510
tors. eta vs tors. theta energy: -243.164
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2664.725775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.591744 (E_RNA)
where:
Base-Base interactions energy: -1865.806
where: short stacking energy: -776.069
Base-Backbone interact. energy: -2.572
local terms energy: -798.214594
where:
bonds (distance) C4'-P energy: -153.942
bonds (distance) P-C4' energy: -138.127
flat angles C4'-P-C4' energy: -172.313
flat angles P-C4'-P energy: -118.249
tors. eta vs tors. theta energy: -215.584
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: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2431.370978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.370978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.524035 (E_RNA)
where:
Base-Base interactions energy: -1628.359
where: short stacking energy: -713.190
Base-Backbone interact. energy: -1.411
local terms energy: -803.754796
where:
bonds (distance) C4'-P energy: -143.699
bonds (distance) P-C4' energy: -163.372
flat angles C4'-P-C4' energy: -179.639
flat angles P-C4'-P energy: -103.800
tors. eta vs tors. theta energy: -213.244
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2355.726464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.726464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.079755 (E_RNA)
where:
Base-Base interactions energy: -1597.216
where: short stacking energy: -724.835
Base-Backbone interact. energy: -2.950
local terms energy: -758.913506
where:
bonds (distance) C4'-P energy: -139.137
bonds (distance) P-C4' energy: -142.685
flat angles C4'-P-C4' energy: -159.341
flat angles P-C4'-P energy: -106.012
tors. eta vs tors. theta energy: -211.739
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: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2157.464633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.464633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.784254 (E_RNA)
where:
Base-Base interactions energy: -1457.277
where: short stacking energy: -624.682
Base-Backbone interact. energy: -3.184
local terms energy: -699.323248
where:
bonds (distance) C4'-P energy: -138.076
bonds (distance) P-C4' energy: -139.904
flat angles C4'-P-C4' energy: -150.861
flat angles P-C4'-P energy: -99.361
tors. eta vs tors. theta energy: -171.121
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2136.694007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.694007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.572773 (E_RNA)
where:
Base-Base interactions energy: -1415.290
where: short stacking energy: -615.841
Base-Backbone interact. energy: -1.957
local terms energy: -722.326349
where:
bonds (distance) C4'-P energy: -139.869
bonds (distance) P-C4' energy: -147.762
flat angles C4'-P-C4' energy: -163.555
flat angles P-C4'-P energy: -104.405
tors. eta vs tors. theta energy: -166.736
Dist. restrs. and SS energy: 2.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2005.118808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.118808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.062041 (E_RNA)
where:
Base-Base interactions energy: -1349.689
where: short stacking energy: -571.174
Base-Backbone interact. energy: -2.273
local terms energy: -657.099668
where:
bonds (distance) C4'-P energy: -137.619
bonds (distance) P-C4' energy: -138.114
flat angles C4'-P-C4' energy: -142.598
flat angles P-C4'-P energy: -87.658
tors. eta vs tors. theta energy: -151.109
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: 9, replica: 4
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1949.601957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.601957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.390683 (E_RNA)
where:
Base-Base interactions energy: -1338.573
where: short stacking energy: -568.747
Base-Backbone interact. energy: -3.933
local terms energy: -610.885203
where:
bonds (distance) C4'-P energy: -121.246
bonds (distance) P-C4' energy: -136.374
flat angles C4'-P-C4' energy: -112.665
flat angles P-C4'-P energy: -84.349
tors. eta vs tors. theta energy: -156.252
Dist. restrs. and SS energy: 3.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1917.184421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.184421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.365879 (E_RNA)
where:
Base-Base interactions energy: -1293.792
where: short stacking energy: -564.145
Base-Backbone interact. energy: -4.849
local terms energy: -621.724893
where:
bonds (distance) C4'-P energy: -119.674
bonds (distance) P-C4' energy: -119.981
flat angles C4'-P-C4' energy: -140.543
flat angles P-C4'-P energy: -92.352
tors. eta vs tors. theta energy: -149.174
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: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2882.833458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.833458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.798845 (E_RNA)
where:
Base-Base interactions energy: -1989.641
where: short stacking energy: -823.383
Base-Backbone interact. energy: -2.325
local terms energy: -892.832476
where:
bonds (distance) C4'-P energy: -161.077
bonds (distance) P-C4' energy: -161.191
flat angles C4'-P-C4' energy: -195.158
flat angles P-C4'-P energy: -114.000
tors. eta vs tors. theta energy: -261.406
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: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2824.344035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.344035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.344504 (E_RNA)
where:
Base-Base interactions energy: -1945.708
where: short stacking energy: -816.883
Base-Backbone interact. energy: -2.960
local terms energy: -876.676886
where:
bonds (distance) C4'-P energy: -157.082
bonds (distance) P-C4' energy: -176.547
flat angles C4'-P-C4' energy: -186.766
flat angles P-C4'-P energy: -112.894
tors. eta vs tors. theta energy: -243.388
Dist. restrs. and SS energy: 1.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2690.809413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.809413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.089043 (E_RNA)
where:
Base-Base interactions energy: -1834.577
where: short stacking energy: -801.989
Base-Backbone interact. energy: 2.747
local terms energy: -860.259678
where:
bonds (distance) C4'-P energy: -164.679
bonds (distance) P-C4' energy: -164.657
flat angles C4'-P-C4' energy: -178.924
flat angles P-C4'-P energy: -114.664
tors. eta vs tors. theta energy: -237.336
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2437.287209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.287209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.933955 (E_RNA)
where:
Base-Base interactions energy: -1645.498
where: short stacking energy: -735.367
Base-Backbone interact. energy: -1.387
local terms energy: -792.048230
where:
bonds (distance) C4'-P energy: -150.041
bonds (distance) P-C4' energy: -133.793
flat angles C4'-P-C4' energy: -175.966
flat angles P-C4'-P energy: -106.800
tors. eta vs tors. theta energy: -225.448
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: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2339.478123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.222277 (E_RNA)
where:
Base-Base interactions energy: -1603.560
where: short stacking energy: -700.970
Base-Backbone interact. energy: -3.159
local terms energy: -735.503753
where:
bonds (distance) C4'-P energy: -142.600
bonds (distance) P-C4' energy: -145.183
flat angles C4'-P-C4' energy: -157.572
flat angles P-C4'-P energy: -101.436
tors. eta vs tors. theta energy: -188.712
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: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2170.564753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.564753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.680079 (E_RNA)
where:
Base-Base interactions energy: -1455.110
where: short stacking energy: -626.431
Base-Backbone interact. energy: 3.954
local terms energy: -720.524058
where:
bonds (distance) C4'-P energy: -153.899
bonds (distance) P-C4' energy: -142.528
flat angles C4'-P-C4' energy: -154.573
flat angles P-C4'-P energy: -108.952
tors. eta vs tors. theta energy: -160.572
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2115.612890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.612890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.450489 (E_RNA)
where:
Base-Base interactions energy: -1405.325
where: short stacking energy: -617.750
Base-Backbone interact. energy: -2.308
local terms energy: -710.816839
where:
bonds (distance) C4'-P energy: -135.775
bonds (distance) P-C4' energy: -141.070
flat angles C4'-P-C4' energy: -154.448
flat angles P-C4'-P energy: -95.737
tors. eta vs tors. theta energy: -183.787
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: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2050.211116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.211116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.507679 (E_RNA)
where:
Base-Base interactions energy: -1415.504
where: short stacking energy: -598.214
Base-Backbone interact. energy: -2.031
local terms energy: -634.973183
where:
bonds (distance) C4'-P energy: -122.419
bonds (distance) P-C4' energy: -132.171
flat angles C4'-P-C4' energy: -144.135
flat angles P-C4'-P energy: -91.747
tors. eta vs tors. theta energy: -144.501
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: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1941.461073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.461073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.174953 (E_RNA)
where:
Base-Base interactions energy: -1300.325
where: short stacking energy: -556.568
Base-Backbone interact. energy: -0.254
local terms energy: -646.596211
where:
bonds (distance) C4'-P energy: -137.238
bonds (distance) P-C4' energy: -131.717
flat angles C4'-P-C4' energy: -122.094
flat angles P-C4'-P energy: -99.527
tors. eta vs tors. theta energy: -156.020
Dist. restrs. and SS energy: 5.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1920.128975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.128975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.629073 (E_RNA)
where:
Base-Base interactions energy: -1294.423
where: short stacking energy: -545.199
Base-Backbone interact. energy: 2.530
local terms energy: -632.735960
where:
bonds (distance) C4'-P energy: -139.976
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -168.891
flat angles P-C4'-P energy: -84.147
tors. eta vs tors. theta energy: -137.318
Dist. restrs. and SS energy: 4.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2889.514973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.514973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.215959 (E_RNA)
where:
Base-Base interactions energy: -1982.940
where: short stacking energy: -856.616
Base-Backbone interact. energy: 0.490
local terms energy: -908.765838
where:
bonds (distance) C4'-P energy: -170.623
bonds (distance) P-C4' energy: -169.259
flat angles C4'-P-C4' energy: -188.874
flat angles P-C4'-P energy: -130.578
tors. eta vs tors. theta energy: -249.432
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: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2820.547317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.547317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.606117 (E_RNA)
where:
Base-Base interactions energy: -1952.097
where: short stacking energy: -799.617
Base-Backbone interact. energy: -1.916
local terms energy: -867.592793
where:
bonds (distance) C4'-P energy: -141.616
bonds (distance) P-C4' energy: -173.155
flat angles C4'-P-C4' energy: -176.679
flat angles P-C4'-P energy: -126.021
tors. eta vs tors. theta energy: -250.121
Dist. restrs. and SS energy: 1.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2637.391215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.391215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.117124 (E_RNA)
where:
Base-Base interactions energy: -1824.281
where: short stacking energy: -739.790
Base-Backbone interact. energy: 0.041
local terms energy: -814.877287
where:
bonds (distance) C4'-P energy: -148.256
bonds (distance) P-C4' energy: -162.172
flat angles C4'-P-C4' energy: -169.148
flat angles P-C4'-P energy: -125.479
tors. eta vs tors. theta energy: -209.823
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: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2436.837499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.837499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.092632 (E_RNA)
where:
Base-Base interactions energy: -1648.442
where: short stacking energy: -730.561
Base-Backbone interact. energy: -0.685
local terms energy: -788.965112
where:
bonds (distance) C4'-P energy: -153.152
bonds (distance) P-C4' energy: -145.320
flat angles C4'-P-C4' energy: -163.507
flat angles P-C4'-P energy: -109.682
tors. eta vs tors. theta energy: -217.305
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: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2311.396750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.396750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.236915 (E_RNA)
where:
Base-Base interactions energy: -1553.797
where: short stacking energy: -673.562
Base-Backbone interact. energy: -0.595
local terms energy: -759.844515
where:
bonds (distance) C4'-P energy: -147.109
bonds (distance) P-C4' energy: -136.809
flat angles C4'-P-C4' energy: -170.662
flat angles P-C4'-P energy: -107.671
tors. eta vs tors. theta energy: -197.593
Dist. restrs. and SS energy: 2.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2194.895277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.895277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.920597 (E_RNA)
where:
Base-Base interactions energy: -1470.570
where: short stacking energy: -669.536
Base-Backbone interact. energy: -2.320
local terms energy: -725.031247
where:
bonds (distance) C4'-P energy: -148.221
bonds (distance) P-C4' energy: -141.283
flat angles C4'-P-C4' energy: -162.935
flat angles P-C4'-P energy: -96.828
tors. eta vs tors. theta energy: -175.764
Dist. restrs. and SS energy: 3.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2148.326320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.326320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.533778 (E_RNA)
where:
Base-Base interactions energy: -1455.333
where: short stacking energy: -617.243
Base-Backbone interact. energy: -4.126
local terms energy: -691.075604
where:
bonds (distance) C4'-P energy: -126.836
bonds (distance) P-C4' energy: -143.582
flat angles C4'-P-C4' energy: -148.675
flat angles P-C4'-P energy: -99.299
tors. eta vs tors. theta energy: -172.685
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: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2085.995466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.995466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.831590 (E_RNA)
where:
Base-Base interactions energy: -1449.099
where: short stacking energy: -594.893
Base-Backbone interact. energy: -1.205
local terms energy: -641.527870
where:
bonds (distance) C4'-P energy: -120.697
bonds (distance) P-C4' energy: -133.459
flat angles C4'-P-C4' energy: -129.532
flat angles P-C4'-P energy: -93.169
tors. eta vs tors. theta energy: -164.670
Dist. restrs. and SS energy: 5.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1965.112675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.112675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.133045 (E_RNA)
where:
Base-Base interactions energy: -1332.034
where: short stacking energy: -559.481
Base-Backbone interact. energy: 3.121
local terms energy: -639.219531
where:
bonds (distance) C4'-P energy: -136.871
bonds (distance) P-C4' energy: -134.301
flat angles C4'-P-C4' energy: -135.604
flat angles P-C4'-P energy: -76.207
tors. eta vs tors. theta energy: -156.237
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: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1915.643620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.643620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.780621 (E_RNA)
where:
Base-Base interactions energy: -1310.161
where: short stacking energy: -546.934
Base-Backbone interact. energy: 1.269
local terms energy: -608.889251
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -138.188
flat angles C4'-P-C4' energy: -146.141
flat angles P-C4'-P energy: -85.344
tors. eta vs tors. theta energy: -135.257
Dist. restrs. and SS energy: 2.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2900.557950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.557950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.557312 (E_RNA)
where:
Base-Base interactions energy: -2010.031
where: short stacking energy: -846.828
Base-Backbone interact. energy: 3.121
local terms energy: -894.647547
where:
bonds (distance) C4'-P energy: -153.288
bonds (distance) P-C4' energy: -172.388
flat angles C4'-P-C4' energy: -175.156
flat angles P-C4'-P energy: -144.440
tors. eta vs tors. theta energy: -249.376
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: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2811.188718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.188718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.274116 (E_RNA)
where:
Base-Base interactions energy: -1944.384
where: short stacking energy: -838.243
Base-Backbone interact. energy: -4.518
local terms energy: -863.371963
where:
bonds (distance) C4'-P energy: -148.274
bonds (distance) P-C4' energy: -152.893
flat angles C4'-P-C4' energy: -181.615
flat angles P-C4'-P energy: -135.843
tors. eta vs tors. theta energy: -244.747
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: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2666.402114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.402114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.869959 (E_RNA)
where:
Base-Base interactions energy: -1861.972
where: short stacking energy: -743.806
Base-Backbone interact. energy: 3.117
local terms energy: -809.015655
where:
bonds (distance) C4'-P energy: -144.289
bonds (distance) P-C4' energy: -165.754
flat angles C4'-P-C4' energy: -181.633
flat angles P-C4'-P energy: -114.576
tors. eta vs tors. theta energy: -202.764
Dist. restrs. and SS energy: 1.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2476.086005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.086005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.551563 (E_RNA)
where:
Base-Base interactions energy: -1665.928
where: short stacking energy: -732.055
Base-Backbone interact. energy: -1.329
local terms energy: -811.294083
where:
bonds (distance) C4'-P energy: -141.613
bonds (distance) P-C4' energy: -155.464
flat angles C4'-P-C4' energy: -181.805
flat angles P-C4'-P energy: -115.863
tors. eta vs tors. theta energy: -216.550
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2331.781724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.781724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.758867 (E_RNA)
where:
Base-Base interactions energy: -1573.099
where: short stacking energy: -704.339
Base-Backbone interact. energy: 1.584
local terms energy: -762.244287
where:
bonds (distance) C4'-P energy: -140.524
bonds (distance) P-C4' energy: -156.531
flat angles C4'-P-C4' energy: -165.283
flat angles P-C4'-P energy: -103.792
tors. eta vs tors. theta energy: -196.114
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: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2220.151120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.151120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.033657 (E_RNA)
where:
Base-Base interactions energy: -1529.079
where: short stacking energy: -664.327
Base-Backbone interact. energy: 1.447
local terms energy: -694.402303
where:
bonds (distance) C4'-P energy: -123.412
bonds (distance) P-C4' energy: -149.112
flat angles C4'-P-C4' energy: -148.364
flat angles P-C4'-P energy: -102.575
tors. eta vs tors. theta energy: -170.940
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2114.410162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.410162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.018975 (E_RNA)
where:
Base-Base interactions energy: -1424.983
where: short stacking energy: -615.908
Base-Backbone interact. energy: -1.967
local terms energy: -689.069087
where:
bonds (distance) C4'-P energy: -133.628
bonds (distance) P-C4' energy: -152.357
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -94.089
tors. eta vs tors. theta energy: -159.775
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: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2073.913877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.913877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.993655 (E_RNA)
where:
Base-Base interactions energy: -1400.446
where: short stacking energy: -605.790
Base-Backbone interact. energy: -0.908
local terms energy: -674.639931
where:
bonds (distance) C4'-P energy: -113.080
bonds (distance) P-C4' energy: -131.878
flat angles C4'-P-C4' energy: -160.644
flat angles P-C4'-P energy: -112.659
tors. eta vs tors. theta energy: -156.379
Dist. restrs. and SS energy: 2.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1940.872530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.872530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.589011 (E_RNA)
where:
Base-Base interactions energy: -1312.640
where: short stacking energy: -547.333
Base-Backbone interact. energy: 1.081
local terms energy: -632.029152
where:
bonds (distance) C4'-P energy: -135.531
bonds (distance) P-C4' energy: -134.481
flat angles C4'-P-C4' energy: -131.015
flat angles P-C4'-P energy: -82.993
tors. eta vs tors. theta energy: -148.009
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: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1891.582491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.582491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.535818 (E_RNA)
where:
Base-Base interactions energy: -1261.629
where: short stacking energy: -524.211
Base-Backbone interact. energy: -2.657
local terms energy: -631.249204
where:
bonds (distance) C4'-P energy: -154.544
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -136.581
flat angles P-C4'-P energy: -83.182
tors. eta vs tors. theta energy: -133.639
Dist. restrs. and SS energy: 3.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2867.902026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.902026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.265181 (E_RNA)
where:
Base-Base interactions energy: -1971.768
where: short stacking energy: -828.526
Base-Backbone interact. energy: -0.161
local terms energy: -897.336136
where:
bonds (distance) C4'-P energy: -175.756
bonds (distance) P-C4' energy: -151.930
flat angles C4'-P-C4' energy: -194.820
flat angles P-C4'-P energy: -134.763
tors. eta vs tors. theta energy: -240.067
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2812.374428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.374428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.146704 (E_RNA)
where:
Base-Base interactions energy: -1949.300
where: short stacking energy: -804.780
Base-Backbone interact. energy: 0.778
local terms energy: -865.624291
where:
bonds (distance) C4'-P energy: -158.638
bonds (distance) P-C4' energy: -162.454
flat angles C4'-P-C4' energy: -181.754
flat angles P-C4'-P energy: -122.356
tors. eta vs tors. theta energy: -240.422
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2683.805514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.805514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.745909 (E_RNA)
where:
Base-Base interactions energy: -1851.792
where: short stacking energy: -758.265
Base-Backbone interact. energy: -2.416
local terms energy: -830.538689
where:
bonds (distance) C4'-P energy: -159.735
bonds (distance) P-C4' energy: -162.905
flat angles C4'-P-C4' energy: -168.067
flat angles P-C4'-P energy: -119.184
tors. eta vs tors. theta energy: -220.648
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2497.981191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.981191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.435996 (E_RNA)
where:
Base-Base interactions energy: -1658.283
where: short stacking energy: -769.239
Base-Backbone interact. energy: 2.820
local terms energy: -844.973107
where:
bonds (distance) C4'-P energy: -171.502
bonds (distance) P-C4' energy: -152.655
flat angles C4'-P-C4' energy: -185.295
flat angles P-C4'-P energy: -112.147
tors. eta vs tors. theta energy: -223.374
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2332.103611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.103611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.142540 (E_RNA)
where:
Base-Base interactions energy: -1579.382
where: short stacking energy: -692.211
Base-Backbone interact. energy: -1.377
local terms energy: -753.382696
where:
bonds (distance) C4'-P energy: -141.647
bonds (distance) P-C4' energy: -126.604
flat angles C4'-P-C4' energy: -164.843
flat angles P-C4'-P energy: -115.783
tors. eta vs tors. theta energy: -204.506
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2198.025211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.025211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.065328 (E_RNA)
where:
Base-Base interactions energy: -1482.260
where: short stacking energy: -649.110
Base-Backbone interact. energy: -0.622
local terms energy: -718.182808
where:
bonds (distance) C4'-P energy: -136.643
bonds (distance) P-C4' energy: -133.730
flat angles C4'-P-C4' energy: -165.625
flat angles P-C4'-P energy: -103.419
tors. eta vs tors. theta energy: -178.766
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2106.018787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.018787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.989717 (E_RNA)
where:
Base-Base interactions energy: -1442.203
where: short stacking energy: -592.028
Base-Backbone interact. energy: 6.437
local terms energy: -672.223559
where:
bonds (distance) C4'-P energy: -122.317
bonds (distance) P-C4' energy: -129.514
flat angles C4'-P-C4' energy: -156.243
flat angles P-C4'-P energy: -103.408
tors. eta vs tors. theta energy: -160.741
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: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2029.852751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.852751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.484700 (E_RNA)
where:
Base-Base interactions energy: -1372.589
where: short stacking energy: -612.303
Base-Backbone interact. energy: -1.446
local terms energy: -658.449020
where:
bonds (distance) C4'-P energy: -133.797
bonds (distance) P-C4' energy: -109.887
flat angles C4'-P-C4' energy: -147.800
flat angles P-C4'-P energy: -93.108
tors. eta vs tors. theta energy: -173.856
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1968.577566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.577566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.738440 (E_RNA)
where:
Base-Base interactions energy: -1322.637
where: short stacking energy: -555.224
Base-Backbone interact. energy: 0.553
local terms energy: -647.654923
where:
bonds (distance) C4'-P energy: -151.673
bonds (distance) P-C4' energy: -129.717
flat angles C4'-P-C4' energy: -148.529
flat angles P-C4'-P energy: -59.165
tors. eta vs tors. theta energy: -158.571
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1923.420421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.420421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.005550 (E_RNA)
where:
Base-Base interactions energy: -1319.500
where: short stacking energy: -557.692
Base-Backbone interact. energy: 0.130
local terms energy: -608.635824
where:
bonds (distance) C4'-P energy: -109.566
bonds (distance) P-C4' energy: -110.223
flat angles C4'-P-C4' energy: -136.007
flat angles P-C4'-P energy: -103.979
tors. eta vs tors. theta energy: -148.861
Dist. restrs. and SS energy: 4.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2846.995348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.995348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.387690 (E_RNA)
where:
Base-Base interactions energy: -1972.919
where: short stacking energy: -858.548
Base-Backbone interact. energy: -2.915
local terms energy: -872.553564
where:
bonds (distance) C4'-P energy: -148.244
bonds (distance) P-C4' energy: -152.129
flat angles C4'-P-C4' energy: -195.140
flat angles P-C4'-P energy: -123.496
tors. eta vs tors. theta energy: -253.545
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: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2825.350759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.350759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.367838 (E_RNA)
where:
Base-Base interactions energy: -1949.419
where: short stacking energy: -845.717
Base-Backbone interact. energy: -1.360
local terms energy: -875.589097
where:
bonds (distance) C4'-P energy: -162.582
bonds (distance) P-C4' energy: -154.601
flat angles C4'-P-C4' energy: -183.636
flat angles P-C4'-P energy: -127.683
tors. eta vs tors. theta energy: -247.088
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2688.160003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.160003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.566876 (E_RNA)
where:
Base-Base interactions energy: -1888.279
where: short stacking energy: -763.955
Base-Backbone interact. energy: -1.545
local terms energy: -800.742928
where:
bonds (distance) C4'-P energy: -145.768
bonds (distance) P-C4' energy: -140.846
flat angles C4'-P-C4' energy: -172.678
flat angles P-C4'-P energy: -119.107
tors. eta vs tors. theta energy: -222.344
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: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2472.348057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.348057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.708725 (E_RNA)
where:
Base-Base interactions energy: -1661.704
where: short stacking energy: -733.127
Base-Backbone interact. energy: -5.575
local terms energy: -807.429841
where:
bonds (distance) C4'-P energy: -151.426
bonds (distance) P-C4' energy: -155.567
flat angles C4'-P-C4' energy: -176.793
flat angles P-C4'-P energy: -105.392
tors. eta vs tors. theta energy: -218.251
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2303.288637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.288637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.857955 (E_RNA)
where:
Base-Base interactions energy: -1547.607
where: short stacking energy: -694.453
Base-Backbone interact. energy: -2.994
local terms energy: -755.257302
where:
bonds (distance) C4'-P energy: -148.419
bonds (distance) P-C4' energy: -151.648
flat angles C4'-P-C4' energy: -159.817
flat angles P-C4'-P energy: -103.258
tors. eta vs tors. theta energy: -192.115
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2173.096220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.096220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.414814 (E_RNA)
where:
Base-Base interactions energy: -1479.580
where: short stacking energy: -643.834
Base-Backbone interact. energy: -2.604
local terms energy: -693.231215
where:
bonds (distance) C4'-P energy: -150.889
bonds (distance) P-C4' energy: -137.687
flat angles C4'-P-C4' energy: -136.227
flat angles P-C4'-P energy: -104.598
tors. eta vs tors. theta energy: -163.830
Dist. restrs. and SS energy: 2.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2085.179630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.179630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.634753 (E_RNA)
where:
Base-Base interactions energy: -1397.505
where: short stacking energy: -598.746
Base-Backbone interact. energy: -0.341
local terms energy: -690.788838
where:
bonds (distance) C4'-P energy: -155.441
bonds (distance) P-C4' energy: -157.143
flat angles C4'-P-C4' energy: -137.752
flat angles P-C4'-P energy: -90.432
tors. eta vs tors. theta energy: -150.021
Dist. restrs. and SS energy: 3.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2043.900010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.900010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.062312 (E_RNA)
where:
Base-Base interactions energy: -1378.609
where: short stacking energy: -604.411
Base-Backbone interact. energy: -0.234
local terms energy: -668.219761
where:
bonds (distance) C4'-P energy: -144.274
bonds (distance) P-C4' energy: -132.845
flat angles C4'-P-C4' energy: -141.308
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -171.339
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: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1966.874274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.874274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.735463 (E_RNA)
where:
Base-Base interactions energy: -1352.314
where: short stacking energy: -564.637
Base-Backbone interact. energy: 5.065
local terms energy: -622.486438
where:
bonds (distance) C4'-P energy: -134.293
bonds (distance) P-C4' energy: -109.464
flat angles C4'-P-C4' energy: -129.579
flat angles P-C4'-P energy: -99.441
tors. eta vs tors. theta energy: -149.710
Dist. restrs. and SS energy: 2.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1899.766721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.766721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.933925 (E_RNA)
where:
Base-Base interactions energy: -1297.406
where: short stacking energy: -525.845
Base-Backbone interact. energy: 1.692
local terms energy: -607.220326
where:
bonds (distance) C4'-P energy: -129.885
bonds (distance) P-C4' energy: -111.619
flat angles C4'-P-C4' energy: -138.165
flat angles P-C4'-P energy: -80.536
tors. eta vs tors. theta energy: -147.016
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2844.016850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.016850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.956836 (E_RNA)
where:
Base-Base interactions energy: -1960.856
where: short stacking energy: -834.897
Base-Backbone interact. energy: -3.103
local terms energy: -880.997713
where:
bonds (distance) C4'-P energy: -164.435
bonds (distance) P-C4' energy: -161.981
flat angles C4'-P-C4' energy: -188.331
flat angles P-C4'-P energy: -120.315
tors. eta vs tors. theta energy: -245.936
Dist. restrs. and SS energy: 0.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2824.794760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.794760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.961747 (E_RNA)
where:
Base-Base interactions energy: -1955.422
where: short stacking energy: -815.859
Base-Backbone interact. energy: -1.104
local terms energy: -871.434907
where:
bonds (distance) C4'-P energy: -152.401
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -189.844
flat angles P-C4'-P energy: -129.763
tors. eta vs tors. theta energy: -250.193
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: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2655.401967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.401967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.280524 (E_RNA)
where:
Base-Base interactions energy: -1826.248
where: short stacking energy: -775.131
Base-Backbone interact. energy: -2.941
local terms energy: -828.091999
where:
bonds (distance) C4'-P energy: -148.814
bonds (distance) P-C4' energy: -157.934
flat angles C4'-P-C4' energy: -180.367
flat angles P-C4'-P energy: -117.422
tors. eta vs tors. theta energy: -223.555
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2435.879774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.879774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.804696 (E_RNA)
where:
Base-Base interactions energy: -1646.662
where: short stacking energy: -725.207
Base-Backbone interact. energy: -1.764
local terms energy: -789.379180
where:
bonds (distance) C4'-P energy: -143.742
bonds (distance) P-C4' energy: -142.202
flat angles C4'-P-C4' energy: -183.531
flat angles P-C4'-P energy: -113.453
tors. eta vs tors. theta energy: -206.451
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: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2340.571191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.571191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.020382 (E_RNA)
where:
Base-Base interactions energy: -1574.345
where: short stacking energy: -694.671
Base-Backbone interact. energy: 1.932
local terms energy: -770.607782
where:
bonds (distance) C4'-P energy: -156.329
bonds (distance) P-C4' energy: -151.597
flat angles C4'-P-C4' energy: -164.691
flat angles P-C4'-P energy: -99.129
tors. eta vs tors. theta energy: -198.861
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: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2199.201594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.201594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.162989 (E_RNA)
where:
Base-Base interactions energy: -1501.792
where: short stacking energy: -662.393
Base-Backbone interact. energy: 1.241
local terms energy: -700.611942
where:
bonds (distance) C4'-P energy: -144.330
bonds (distance) P-C4' energy: -132.152
flat angles C4'-P-C4' energy: -163.348
flat angles P-C4'-P energy: -95.747
tors. eta vs tors. theta energy: -165.034
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: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2075.695076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.695076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.495419 (E_RNA)
where:
Base-Base interactions energy: -1405.985
where: short stacking energy: -563.630
Base-Backbone interact. energy: -0.694
local terms energy: -671.816560
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -156.109
flat angles C4'-P-C4' energy: -156.822
flat angles P-C4'-P energy: -95.659
tors. eta vs tors. theta energy: -140.820
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: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1946.863772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.863772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.833656 (E_RNA)
where:
Base-Base interactions energy: -1337.885
where: short stacking energy: -570.902
Base-Backbone interact. energy: -2.310
local terms energy: -610.638703
where:
bonds (distance) C4'-P energy: -97.515
bonds (distance) P-C4' energy: -127.013
flat angles C4'-P-C4' energy: -156.641
flat angles P-C4'-P energy: -89.720
tors. eta vs tors. theta energy: -139.749
Dist. restrs. and SS energy: 3.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1924.995228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.995228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.530756 (E_RNA)
where:
Base-Base interactions energy: -1319.018
where: short stacking energy: -543.869
Base-Backbone interact. energy: -1.857
local terms energy: -606.656363
where:
bonds (distance) C4'-P energy: -132.758
bonds (distance) P-C4' energy: -146.579
flat angles C4'-P-C4' energy: -132.113
flat angles P-C4'-P energy: -69.355
tors. eta vs tors. theta energy: -125.851
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1875.085241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.085241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.434011 (E_RNA)
where:
Base-Base interactions energy: -1288.043
where: short stacking energy: -531.848
Base-Backbone interact. energy: -3.087
local terms energy: -586.304959
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -120.069
flat angles C4'-P-C4' energy: -144.551
flat angles P-C4'-P energy: -76.040
tors. eta vs tors. theta energy: -133.842
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: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2865.220366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.220366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.671349 (E_RNA)
where:
Base-Base interactions energy: -1956.455
where: short stacking energy: -843.097
Base-Backbone interact. energy: -1.475
local terms energy: -908.740503
where:
bonds (distance) C4'-P energy: -159.075
bonds (distance) P-C4' energy: -173.516
flat angles C4'-P-C4' energy: -188.210
flat angles P-C4'-P energy: -133.455
tors. eta vs tors. theta energy: -254.485
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2827.973466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.973466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.841824 (E_RNA)
where:
Base-Base interactions energy: -1945.904
where: short stacking energy: -794.045
Base-Backbone interact. energy: -1.877
local terms energy: -883.061069
where:
bonds (distance) C4'-P energy: -152.423
bonds (distance) P-C4' energy: -169.978
flat angles C4'-P-C4' energy: -190.946
flat angles P-C4'-P energy: -126.772
tors. eta vs tors. theta energy: -242.943
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: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2670.378909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.378909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.712632 (E_RNA)
where:
Base-Base interactions energy: -1836.718
where: short stacking energy: -774.228
Base-Backbone interact. energy: -0.625
local terms energy: -835.369983
where:
bonds (distance) C4'-P energy: -167.810
bonds (distance) P-C4' energy: -147.399
flat angles C4'-P-C4' energy: -181.995
flat angles P-C4'-P energy: -105.876
tors. eta vs tors. theta energy: -232.289
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: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2457.325920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.325920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.669294 (E_RNA)
where:
Base-Base interactions energy: -1641.434
where: short stacking energy: -733.393
Base-Backbone interact. energy: -1.815
local terms energy: -815.419577
where:
bonds (distance) C4'-P energy: -154.978
bonds (distance) P-C4' energy: -162.345
flat angles C4'-P-C4' energy: -167.003
flat angles P-C4'-P energy: -113.790
tors. eta vs tors. theta energy: -217.303
Dist. restrs. and SS energy: 1.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2334.831396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.831396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.210870 (E_RNA)
where:
Base-Base interactions energy: -1576.597
where: short stacking energy: -688.779
Base-Backbone interact. energy: -0.944
local terms energy: -760.669806
where:
bonds (distance) C4'-P energy: -130.908
bonds (distance) P-C4' energy: -146.965
flat angles C4'-P-C4' energy: -156.375
flat angles P-C4'-P energy: -112.875
tors. eta vs tors. theta energy: -213.546
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: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2150.732293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.732293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.735899 (E_RNA)
where:
Base-Base interactions energy: -1446.073
where: short stacking energy: -613.465
Base-Backbone interact. energy: -0.056
local terms energy: -706.606739
where:
bonds (distance) C4'-P energy: -127.105
bonds (distance) P-C4' energy: -146.392
flat angles C4'-P-C4' energy: -163.477
flat angles P-C4'-P energy: -103.724
tors. eta vs tors. theta energy: -165.910
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: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2173.728638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.728638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.089413 (E_RNA)
where:
Base-Base interactions energy: -1475.883
where: short stacking energy: -617.556
Base-Backbone interact. energy: 2.082
local terms energy: -703.288167
where:
bonds (distance) C4'-P energy: -124.586
bonds (distance) P-C4' energy: -136.551
flat angles C4'-P-C4' energy: -175.795
flat angles P-C4'-P energy: -92.521
tors. eta vs tors. theta energy: -173.834
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1975.635048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.635048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.604290 (E_RNA)
where:
Base-Base interactions energy: -1352.855
where: short stacking energy: -579.477
Base-Backbone interact. energy: 5.640
local terms energy: -630.388737
where:
bonds (distance) C4'-P energy: -120.983
bonds (distance) P-C4' energy: -125.929
flat angles C4'-P-C4' energy: -142.648
flat angles P-C4'-P energy: -99.612
tors. eta vs tors. theta energy: -141.217
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: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1966.218114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.218114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.724798 (E_RNA)
where:
Base-Base interactions energy: -1332.928
where: short stacking energy: -580.075
Base-Backbone interact. energy: 3.987
local terms energy: -640.783209
where:
bonds (distance) C4'-P energy: -116.426
bonds (distance) P-C4' energy: -154.218
flat angles C4'-P-C4' energy: -143.216
flat angles P-C4'-P energy: -81.048
tors. eta vs tors. theta energy: -145.875
Dist. restrs. and SS energy: 3.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1826.180339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.180339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.373715 (E_RNA)
where:
Base-Base interactions energy: -1226.481
where: short stacking energy: -524.697
Base-Backbone interact. energy: 0.901
local terms energy: -603.793518
where:
bonds (distance) C4'-P energy: -130.122
bonds (distance) P-C4' energy: -121.136
flat angles C4'-P-C4' energy: -143.341
flat angles P-C4'-P energy: -87.785
tors. eta vs tors. theta energy: -121.410
Dist. restrs. and SS energy: 3.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2882.357122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.357122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.443359 (E_RNA)
where:
Base-Base interactions energy: -2025.758
where: short stacking energy: -839.902
Base-Backbone interact. energy: 0.571
local terms energy: -858.256706
where:
bonds (distance) C4'-P energy: -175.674
bonds (distance) P-C4' energy: -138.367
flat angles C4'-P-C4' energy: -187.056
flat angles P-C4'-P energy: -116.190
tors. eta vs tors. theta energy: -240.969
Dist. restrs. and SS energy: 1.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2850.270257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.270257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2852.564564 (E_RNA)
where:
Base-Base interactions energy: -1989.835
where: short stacking energy: -816.123
Base-Backbone interact. energy: -3.267
local terms energy: -859.463046
where:
bonds (distance) C4'-P energy: -153.480
bonds (distance) P-C4' energy: -169.219
flat angles C4'-P-C4' energy: -176.962
flat angles P-C4'-P energy: -122.716
tors. eta vs tors. theta energy: -237.086
Dist. restrs. and SS energy: 2.294 (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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2655.791534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.791534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.796228 (E_RNA)
where:
Base-Base interactions energy: -1843.009
where: short stacking energy: -759.801
Base-Backbone interact. energy: -3.027
local terms energy: -810.759636
where:
bonds (distance) C4'-P energy: -149.265
bonds (distance) P-C4' energy: -163.678
flat angles C4'-P-C4' energy: -178.763
flat angles P-C4'-P energy: -103.727
tors. eta vs tors. theta energy: -215.326
Dist. restrs. and SS energy: 1.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2438.131170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.131170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.214572 (E_RNA)
where:
Base-Base interactions energy: -1666.421
where: short stacking energy: -724.026
Base-Backbone interact. energy: 4.380
local terms energy: -778.173020
where:
bonds (distance) C4'-P energy: -155.940
bonds (distance) P-C4' energy: -139.717
flat angles C4'-P-C4' energy: -166.754
flat angles P-C4'-P energy: -105.657
tors. eta vs tors. theta energy: -210.105
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2306.496267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.496267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.074824 (E_RNA)
where:
Base-Base interactions energy: -1562.884
where: short stacking energy: -687.563
Base-Backbone interact. energy: -3.395
local terms energy: -741.794891
where:
bonds (distance) C4'-P energy: -125.256
bonds (distance) P-C4' energy: -160.016
flat angles C4'-P-C4' energy: -163.963
flat angles P-C4'-P energy: -101.016
tors. eta vs tors. theta energy: -191.544
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: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2188.092320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.092320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.704749 (E_RNA)
where:
Base-Base interactions energy: -1449.808
where: short stacking energy: -642.527
Base-Backbone interact. energy: -4.157
local terms energy: -735.740112
where:
bonds (distance) C4'-P energy: -130.588
bonds (distance) P-C4' energy: -160.637
flat angles C4'-P-C4' energy: -163.966
flat angles P-C4'-P energy: -103.918
tors. eta vs tors. theta energy: -176.631
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: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2138.016154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.016154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.898253 (E_RNA)
where:
Base-Base interactions energy: -1419.417
where: short stacking energy: -624.822
Base-Backbone interact. energy: -1.252
local terms energy: -720.229538
where:
bonds (distance) C4'-P energy: -135.222
bonds (distance) P-C4' energy: -144.236
flat angles C4'-P-C4' energy: -168.709
flat angles P-C4'-P energy: -100.368
tors. eta vs tors. theta energy: -171.694
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: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2014.291288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.291288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.699276 (E_RNA)
where:
Base-Base interactions energy: -1369.880
where: short stacking energy: -545.352
Base-Backbone interact. energy: 2.294
local terms energy: -649.113184
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -130.198
flat angles C4'-P-C4' energy: -137.231
flat angles P-C4'-P energy: -91.819
tors. eta vs tors. theta energy: -157.943
Dist. restrs. and SS energy: 2.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1916.187817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.187817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.638344 (E_RNA)
where:
Base-Base interactions energy: -1297.128
where: short stacking energy: -542.330
Base-Backbone interact. energy: 1.079
local terms energy: -624.589613
where:
bonds (distance) C4'-P energy: -129.567
bonds (distance) P-C4' energy: -131.385
flat angles C4'-P-C4' energy: -142.887
flat angles P-C4'-P energy: -89.675
tors. eta vs tors. theta energy: -131.075
Dist. restrs. and SS energy: 4.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1851.009948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.009948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.581525 (E_RNA)
where:
Base-Base interactions energy: -1242.568
where: short stacking energy: -475.920
Base-Backbone interact. energy: -2.346
local terms energy: -612.666824
where:
bonds (distance) C4'-P energy: -131.244
bonds (distance) P-C4' energy: -140.703
flat angles C4'-P-C4' energy: -128.994
flat angles P-C4'-P energy: -86.738
tors. eta vs tors. theta energy: -124.988
Dist. restrs. and SS energy: 6.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2872.734728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.734728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.575150 (E_RNA)
where:
Base-Base interactions energy: -1989.589
where: short stacking energy: -835.669
Base-Backbone interact. energy: -3.104
local terms energy: -881.881659
where:
bonds (distance) C4'-P energy: -163.256
bonds (distance) P-C4' energy: -138.335
flat angles C4'-P-C4' energy: -196.285
flat angles P-C4'-P energy: -128.032
tors. eta vs tors. theta energy: -255.974
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: 211
Temperature: 0.950000
Total energy: -2792.177702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.177702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.121597 (E_RNA)
where:
Base-Base interactions energy: -1934.030
where: short stacking energy: -793.123
Base-Backbone interact. energy: -2.105
local terms energy: -858.987006
where:
bonds (distance) C4'-P energy: -166.334
bonds (distance) P-C4' energy: -144.667
flat angles C4'-P-C4' energy: -185.302
flat angles P-C4'-P energy: -115.306
tors. eta vs tors. theta energy: -247.379
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: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2677.553491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.553491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.103635 (E_RNA)
where:
Base-Base interactions energy: -1844.374
where: short stacking energy: -774.278
Base-Backbone interact. energy: -2.296
local terms energy: -832.433460
where:
bonds (distance) C4'-P energy: -142.125
bonds (distance) P-C4' energy: -169.401
flat angles C4'-P-C4' energy: -178.665
flat angles P-C4'-P energy: -118.145
tors. eta vs tors. theta energy: -224.098
Dist. restrs. and SS energy: 1.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2417.252628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.252628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.959465 (E_RNA)
where:
Base-Base interactions energy: -1622.027
where: short stacking energy: -724.918
Base-Backbone interact. energy: -2.400
local terms energy: -795.532746
where:
bonds (distance) C4'-P energy: -147.512
bonds (distance) P-C4' energy: -153.283
flat angles C4'-P-C4' energy: -169.149
flat angles P-C4'-P energy: -119.882
tors. eta vs tors. theta energy: -205.707
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: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2323.968312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.968312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.474831 (E_RNA)
where:
Base-Base interactions energy: -1552.448
where: short stacking energy: -655.883
Base-Backbone interact. energy: -3.453
local terms energy: -769.573052
where:
bonds (distance) C4'-P energy: -154.764
bonds (distance) P-C4' energy: -148.386
flat angles C4'-P-C4' energy: -160.178
flat angles P-C4'-P energy: -125.127
tors. eta vs tors. theta energy: -181.118
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2196.681242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.681242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.407665 (E_RNA)
where:
Base-Base interactions energy: -1483.291
where: short stacking energy: -640.592
Base-Backbone interact. energy: -4.808
local terms energy: -710.308740
where:
bonds (distance) C4'-P energy: -132.199
bonds (distance) P-C4' energy: -131.579
flat angles C4'-P-C4' energy: -165.795
flat angles P-C4'-P energy: -112.529
tors. eta vs tors. theta energy: -168.207
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2113.926449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.926449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.742607 (E_RNA)
where:
Base-Base interactions energy: -1429.906
where: short stacking energy: -587.589
Base-Backbone interact. energy: 1.608
local terms energy: -687.445071
where:
bonds (distance) C4'-P energy: -137.179
bonds (distance) P-C4' energy: -147.783
flat angles C4'-P-C4' energy: -149.872
flat angles P-C4'-P energy: -98.275
tors. eta vs tors. theta energy: -154.335
Dist. restrs. and SS energy: 1.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1992.780983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.780983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.642965 (E_RNA)
where:
Base-Base interactions energy: -1330.978
where: short stacking energy: -563.962
Base-Backbone interact. energy: -1.551
local terms energy: -667.113968
where:
bonds (distance) C4'-P energy: -111.252
bonds (distance) P-C4' energy: -160.074
flat angles C4'-P-C4' energy: -154.321
flat angles P-C4'-P energy: -90.775
tors. eta vs tors. theta energy: -150.692
Dist. restrs. and SS energy: 6.862 (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: 211
Temperature: 1.300000
Total energy: -1926.955301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.955301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.864786 (E_RNA)
where:
Base-Base interactions energy: -1315.092
where: short stacking energy: -558.797
Base-Backbone interact. energy: 5.119
local terms energy: -619.892083
where:
bonds (distance) C4'-P energy: -126.784
bonds (distance) P-C4' energy: -141.876
flat angles C4'-P-C4' energy: -130.045
flat angles P-C4'-P energy: -70.476
tors. eta vs tors. theta energy: -150.711
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: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1824.676511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.676511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.015225 (E_RNA)
where:
Base-Base interactions energy: -1252.290
where: short stacking energy: -500.167
Base-Backbone interact. energy: 0.654
local terms energy: -579.378647
where:
bonds (distance) C4'-P energy: -130.041
bonds (distance) P-C4' energy: -126.086
flat angles C4'-P-C4' energy: -122.657
flat angles P-C4'-P energy: -81.141
tors. eta vs tors. theta energy: -119.453
Dist. restrs. and SS energy: 6.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2874.697816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.697816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.988300 (E_RNA)
where:
Base-Base interactions energy: -2015.148
where: short stacking energy: -841.583
Base-Backbone interact. energy: -3.589
local terms energy: -857.251409
where:
bonds (distance) C4'-P energy: -150.737
bonds (distance) P-C4' energy: -160.751
flat angles C4'-P-C4' energy: -184.842
flat angles P-C4'-P energy: -110.441
tors. eta vs tors. theta energy: -250.481
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2829.668688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.668688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.259972 (E_RNA)
where:
Base-Base interactions energy: -1940.241
where: short stacking energy: -790.480
Base-Backbone interact. energy: -4.099
local terms energy: -887.919396
where:
bonds (distance) C4'-P energy: -160.770
bonds (distance) P-C4' energy: -166.123
flat angles C4'-P-C4' energy: -184.410
flat angles P-C4'-P energy: -126.722
tors. eta vs tors. theta energy: -249.893
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: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2651.979595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.979595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.038965 (E_RNA)
where:
Base-Base interactions energy: -1857.028
where: short stacking energy: -758.697
Base-Backbone interact. energy: -2.539
local terms energy: -793.472030
where:
bonds (distance) C4'-P energy: -151.998
bonds (distance) P-C4' energy: -146.461
flat angles C4'-P-C4' energy: -181.521
flat angles P-C4'-P energy: -95.591
tors. eta vs tors. theta energy: -217.900
Dist. restrs. and SS energy: 1.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2450.971479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.971479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.540674 (E_RNA)
where:
Base-Base interactions energy: -1650.966
where: short stacking energy: -734.916
Base-Backbone interact. energy: -2.333
local terms energy: -799.241637
where:
bonds (distance) C4'-P energy: -152.828
bonds (distance) P-C4' energy: -146.135
flat angles C4'-P-C4' energy: -163.748
flat angles P-C4'-P energy: -115.174
tors. eta vs tors. theta energy: -221.356
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: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2346.032755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.032755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.331903 (E_RNA)
where:
Base-Base interactions energy: -1568.388
where: short stacking energy: -696.985
Base-Backbone interact. energy: -3.554
local terms energy: -777.389954
where:
bonds (distance) C4'-P energy: -151.635
bonds (distance) P-C4' energy: -150.017
flat angles C4'-P-C4' energy: -164.707
flat angles P-C4'-P energy: -113.239
tors. eta vs tors. theta energy: -197.792
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: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2233.471392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.471392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.929172 (E_RNA)
where:
Base-Base interactions energy: -1540.675
where: short stacking energy: -654.150
Base-Backbone interact. energy: -0.287
local terms energy: -693.967929
where:
bonds (distance) C4'-P energy: -114.933
bonds (distance) P-C4' energy: -151.398
flat angles C4'-P-C4' energy: -151.457
flat angles P-C4'-P energy: -103.420
tors. eta vs tors. theta energy: -172.760
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: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2096.164928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.164928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.240481 (E_RNA)
where:
Base-Base interactions energy: -1398.535
where: short stacking energy: -586.369
Base-Backbone interact. energy: -5.522
local terms energy: -694.182991
where:
bonds (distance) C4'-P energy: -125.750
bonds (distance) P-C4' energy: -143.905
flat angles C4'-P-C4' energy: -162.259
flat angles P-C4'-P energy: -104.797
tors. eta vs tors. theta energy: -157.472
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1991.033319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.825602 (E_RNA)
where:
Base-Base interactions energy: -1346.993
where: short stacking energy: -574.319
Base-Backbone interact. energy: -0.059
local terms energy: -647.773866
where:
bonds (distance) C4'-P energy: -121.929
bonds (distance) P-C4' energy: -134.408
flat angles C4'-P-C4' energy: -149.165
flat angles P-C4'-P energy: -95.613
tors. eta vs tors. theta energy: -146.659
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: 9, replica: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1888.454902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.454902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.007192 (E_RNA)
where:
Base-Base interactions energy: -1272.513
where: short stacking energy: -523.829
Base-Backbone interact. energy: -0.146
local terms energy: -617.347464
where:
bonds (distance) C4'-P energy: -133.404
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -129.066
flat angles P-C4'-P energy: -87.361
tors. eta vs tors. theta energy: -132.521
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: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1871.314294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.314294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.196551 (E_RNA)
where:
Base-Base interactions energy: -1204.620
where: short stacking energy: -516.270
Base-Backbone interact. energy: 1.329
local terms energy: -673.905280
where:
bonds (distance) C4'-P energy: -138.437
bonds (distance) P-C4' energy: -163.524
flat angles C4'-P-C4' energy: -152.021
flat angles P-C4'-P energy: -83.405
tors. eta vs tors. theta energy: -136.518
Dist. restrs. and SS energy: 5.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2885.152013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.152013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.338713 (E_RNA)
where:
Base-Base interactions energy: -1998.310
where: short stacking energy: -826.620
Base-Backbone interact. energy: 0.792
local terms energy: -889.821145
where:
bonds (distance) C4'-P energy: -165.373
bonds (distance) P-C4' energy: -169.568
flat angles C4'-P-C4' energy: -180.274
flat angles P-C4'-P energy: -126.795
tors. eta vs tors. theta energy: -247.812
Dist. restrs. and SS energy: 2.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2782.866441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.866441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.787779 (E_RNA)
where:
Base-Base interactions energy: -1916.590
where: short stacking energy: -813.663
Base-Backbone interact. energy: -2.603
local terms energy: -867.594244
where:
bonds (distance) C4'-P energy: -155.444
bonds (distance) P-C4' energy: -148.858
flat angles C4'-P-C4' energy: -191.687
flat angles P-C4'-P energy: -123.963
tors. eta vs tors. theta energy: -247.643
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2641.869671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.869671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.012663 (E_RNA)
where:
Base-Base interactions energy: -1821.316
where: short stacking energy: -748.307
Base-Backbone interact. energy: -2.721
local terms energy: -818.975596
where:
bonds (distance) C4'-P energy: -142.028
bonds (distance) P-C4' energy: -160.057
flat angles C4'-P-C4' energy: -180.652
flat angles P-C4'-P energy: -118.960
tors. eta vs tors. theta energy: -217.279
Dist. restrs. and SS energy: 1.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2447.732937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.732937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.986941 (E_RNA)
where:
Base-Base interactions energy: -1622.087
where: short stacking energy: -706.955
Base-Backbone interact. energy: -1.877
local terms energy: -826.022590
where:
bonds (distance) C4'-P energy: -142.398
bonds (distance) P-C4' energy: -159.090
flat angles C4'-P-C4' energy: -175.723
flat angles P-C4'-P energy: -123.920
tors. eta vs tors. theta energy: -224.892
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: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2290.122128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.122128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.040875 (E_RNA)
where:
Base-Base interactions energy: -1527.629
where: short stacking energy: -657.367
Base-Backbone interact. energy: -2.404
local terms energy: -764.008190
where:
bonds (distance) C4'-P energy: -153.003
bonds (distance) P-C4' energy: -160.802
flat angles C4'-P-C4' energy: -162.484
flat angles P-C4'-P energy: -97.870
tors. eta vs tors. theta energy: -189.850
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: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2200.373824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.373824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.869094 (E_RNA)
where:
Base-Base interactions energy: -1488.686
where: short stacking energy: -634.247
Base-Backbone interact. energy: -0.069
local terms energy: -715.114479
where:
bonds (distance) C4'-P energy: -144.993
bonds (distance) P-C4' energy: -146.437
flat angles C4'-P-C4' energy: -139.925
flat angles P-C4'-P energy: -109.259
tors. eta vs tors. theta energy: -174.501
Dist. restrs. and SS energy: 3.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2093.966707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.966707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.070952 (E_RNA)
where:
Base-Base interactions energy: -1421.372
where: short stacking energy: -589.558
Base-Backbone interact. energy: -5.912
local terms energy: -669.786914
where:
bonds (distance) C4'-P energy: -158.890
bonds (distance) P-C4' energy: -124.656
flat angles C4'-P-C4' energy: -148.157
flat angles P-C4'-P energy: -84.096
tors. eta vs tors. theta energy: -153.989
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: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1974.332943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.332943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.998007 (E_RNA)
where:
Base-Base interactions energy: -1322.084
where: short stacking energy: -553.136
Base-Backbone interact. energy: -1.339
local terms energy: -652.575642
where:
bonds (distance) C4'-P energy: -127.844
bonds (distance) P-C4' energy: -146.836
flat angles C4'-P-C4' energy: -141.319
flat angles P-C4'-P energy: -97.907
tors. eta vs tors. theta energy: -138.671
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1905.928998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.928998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.036004 (E_RNA)
where:
Base-Base interactions energy: -1258.561
where: short stacking energy: -517.472
Base-Backbone interact. energy: -0.522
local terms energy: -650.953471
where:
bonds (distance) C4'-P energy: -109.239
bonds (distance) P-C4' energy: -160.275
flat angles C4'-P-C4' energy: -146.065
flat angles P-C4'-P energy: -83.018
tors. eta vs tors. theta energy: -152.356
Dist. restrs. and SS energy: 4.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1810.065695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.065695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.565726 (E_RNA)
where:
Base-Base interactions energy: -1224.110
where: short stacking energy: -493.904
Base-Backbone interact. energy: 2.001
local terms energy: -591.456346
where:
bonds (distance) C4'-P energy: -120.155
bonds (distance) P-C4' energy: -137.781
flat angles C4'-P-C4' energy: -140.842
flat angles P-C4'-P energy: -68.836
tors. eta vs tors. theta energy: -123.842
Dist. restrs. and SS energy: 3.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2907.370751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.370751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.562357 (E_RNA)
where:
Base-Base interactions energy: -2004.610
where: short stacking energy: -844.971
Base-Backbone interact. energy: -3.893
local terms energy: -900.059266
where:
bonds (distance) C4'-P energy: -164.389
bonds (distance) P-C4' energy: -170.294
flat angles C4'-P-C4' energy: -185.597
flat angles P-C4'-P energy: -121.937
tors. eta vs tors. theta energy: -257.843
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2811.159340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.159340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.932199 (E_RNA)
where:
Base-Base interactions energy: -1947.535
where: short stacking energy: -794.911
Base-Backbone interact. energy: -0.497
local terms energy: -864.900460
where:
bonds (distance) C4'-P energy: -154.530
bonds (distance) P-C4' energy: -149.902
flat angles C4'-P-C4' energy: -186.587
flat angles P-C4'-P energy: -128.734
tors. eta vs tors. theta energy: -245.147
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: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2629.158683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.158683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.875133 (E_RNA)
where:
Base-Base interactions energy: -1823.953
where: short stacking energy: -767.474
Base-Backbone interact. energy: 0.621
local terms energy: -807.543081
where:
bonds (distance) C4'-P energy: -144.480
bonds (distance) P-C4' energy: -155.358
flat angles C4'-P-C4' energy: -169.458
flat angles P-C4'-P energy: -119.303
tors. eta vs tors. theta energy: -218.944
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: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2471.459877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.459877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.976025 (E_RNA)
where:
Base-Base interactions energy: -1638.245
where: short stacking energy: -741.571
Base-Backbone interact. energy: -3.449
local terms energy: -831.282307
where:
bonds (distance) C4'-P energy: -148.625
bonds (distance) P-C4' energy: -166.148
flat angles C4'-P-C4' energy: -174.864
flat angles P-C4'-P energy: -122.355
tors. eta vs tors. theta energy: -219.291
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2285.672780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.672780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.950846 (E_RNA)
where:
Base-Base interactions energy: -1528.968
where: short stacking energy: -683.798
Base-Backbone interact. energy: -4.677
local terms energy: -756.306316
where:
bonds (distance) C4'-P energy: -141.655
bonds (distance) P-C4' energy: -137.978
flat angles C4'-P-C4' energy: -165.964
flat angles P-C4'-P energy: -102.268
tors. eta vs tors. theta energy: -208.442
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2257.413386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.413386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.518068 (E_RNA)
where:
Base-Base interactions energy: -1543.545
where: short stacking energy: -683.636
Base-Backbone interact. energy: -3.126
local terms energy: -712.846862
where:
bonds (distance) C4'-P energy: -133.795
bonds (distance) P-C4' energy: -137.581
flat angles C4'-P-C4' energy: -165.418
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -187.319
Dist. restrs. and SS energy: 2.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2086.079616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.079616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.237577 (E_RNA)
where:
Base-Base interactions energy: -1409.201
where: short stacking energy: -585.619
Base-Backbone interact. energy: -1.671
local terms energy: -676.364929
where:
bonds (distance) C4'-P energy: -123.614
bonds (distance) P-C4' energy: -141.819
flat angles C4'-P-C4' energy: -161.119
flat angles P-C4'-P energy: -110.568
tors. eta vs tors. theta energy: -139.244
Dist. restrs. and SS energy: 1.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1963.483217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.483217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.776622 (E_RNA)
where:
Base-Base interactions energy: -1334.701
where: short stacking energy: -554.545
Base-Backbone interact. energy: -1.594
local terms energy: -629.481568
where:
bonds (distance) C4'-P energy: -125.419
bonds (distance) P-C4' energy: -122.882
flat angles C4'-P-C4' energy: -149.629
flat angles P-C4'-P energy: -109.761
tors. eta vs tors. theta energy: -121.791
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: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1960.131312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.131312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.762824 (E_RNA)
where:
Base-Base interactions energy: -1321.230
where: short stacking energy: -577.769
Base-Backbone interact. energy: -0.530
local terms energy: -642.002644
where:
bonds (distance) C4'-P energy: -119.825
bonds (distance) P-C4' energy: -135.425
flat angles C4'-P-C4' energy: -141.978
flat angles P-C4'-P energy: -84.371
tors. eta vs tors. theta energy: -160.405
Dist. restrs. and SS energy: 3.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1850.037814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.037814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.989667 (E_RNA)
where:
Base-Base interactions energy: -1278.496
where: short stacking energy: -528.947
Base-Backbone interact. energy: 0.971
local terms energy: -574.464959
where:
bonds (distance) C4'-P energy: -123.467
bonds (distance) P-C4' energy: -130.626
flat angles C4'-P-C4' energy: -119.615
flat angles P-C4'-P energy: -88.139
tors. eta vs tors. theta energy: -112.619
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: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2893.938272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.938272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.371730 (E_RNA)
where:
Base-Base interactions energy: -2027.960
where: short stacking energy: -838.368
Base-Backbone interact. energy: 0.409
local terms energy: -867.820775
where:
bonds (distance) C4'-P energy: -144.209
bonds (distance) P-C4' energy: -158.689
flat angles C4'-P-C4' energy: -188.814
flat angles P-C4'-P energy: -135.164
tors. eta vs tors. theta energy: -240.944
Dist. restrs. and SS energy: 1.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2798.715476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.715476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.099162 (E_RNA)
where:
Base-Base interactions energy: -1929.070
where: short stacking energy: -824.746
Base-Backbone interact. energy: -1.330
local terms energy: -870.699113
where:
bonds (distance) C4'-P energy: -157.421
bonds (distance) P-C4' energy: -145.860
flat angles C4'-P-C4' energy: -180.629
flat angles P-C4'-P energy: -140.501
tors. eta vs tors. theta energy: -246.288
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: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2651.722859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.722859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.733000 (E_RNA)
where:
Base-Base interactions energy: -1842.443
where: short stacking energy: -784.874
Base-Backbone interact. energy: -2.107
local terms energy: -809.182686
where:
bonds (distance) C4'-P energy: -139.340
bonds (distance) P-C4' energy: -143.354
flat angles C4'-P-C4' energy: -180.520
flat angles P-C4'-P energy: -120.685
tors. eta vs tors. theta energy: -225.284
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2464.844968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.844968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.938037 (E_RNA)
where:
Base-Base interactions energy: -1653.140
where: short stacking energy: -712.461
Base-Backbone interact. energy: -1.427
local terms energy: -813.370974
where:
bonds (distance) C4'-P energy: -161.903
bonds (distance) P-C4' energy: -142.766
flat angles C4'-P-C4' energy: -175.308
flat angles P-C4'-P energy: -105.907
tors. eta vs tors. theta energy: -227.487
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: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2325.988133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.988133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.090211 (E_RNA)
where:
Base-Base interactions energy: -1568.685
where: short stacking energy: -683.508
Base-Backbone interact. energy: 2.952
local terms energy: -763.357212
where:
bonds (distance) C4'-P energy: -138.955
bonds (distance) P-C4' energy: -143.375
flat angles C4'-P-C4' energy: -163.286
flat angles P-C4'-P energy: -122.228
tors. eta vs tors. theta energy: -195.513
Dist. restrs. and SS energy: 3.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2291.800174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.071738 (E_RNA)
where:
Base-Base interactions energy: -1545.143
where: short stacking energy: -650.899
Base-Backbone interact. energy: -3.064
local terms energy: -744.864808
where:
bonds (distance) C4'-P energy: -141.521
bonds (distance) P-C4' energy: -143.257
flat angles C4'-P-C4' energy: -148.811
flat angles P-C4'-P energy: -116.363
tors. eta vs tors. theta energy: -194.913
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: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2076.919082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.919082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.064739 (E_RNA)
where:
Base-Base interactions energy: -1410.274
where: short stacking energy: -605.903
Base-Backbone interact. energy: 0.109
local terms energy: -669.899482
where:
bonds (distance) C4'-P energy: -139.737
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -145.291
flat angles P-C4'-P energy: -86.239
tors. eta vs tors. theta energy: -168.273
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2016.232843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.232843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.508960 (E_RNA)
where:
Base-Base interactions energy: -1394.639
where: short stacking energy: -611.631
Base-Backbone interact. energy: 3.656
local terms energy: -627.525638
where:
bonds (distance) C4'-P energy: -109.639
bonds (distance) P-C4' energy: -137.344
flat angles C4'-P-C4' energy: -155.834
flat angles P-C4'-P energy: -82.734
tors. eta vs tors. theta energy: -141.974
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: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1956.480240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.480240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.148710 (E_RNA)
where:
Base-Base interactions energy: -1308.599
where: short stacking energy: -544.416
Base-Backbone interact. energy: 4.455
local terms energy: -655.005239
where:
bonds (distance) C4'-P energy: -123.876
bonds (distance) P-C4' energy: -131.920
flat angles C4'-P-C4' energy: -161.884
flat angles P-C4'-P energy: -94.448
tors. eta vs tors. theta energy: -142.877
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: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1784.540463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.540463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.768185 (E_RNA)
where:
Base-Base interactions energy: -1210.873
where: short stacking energy: -493.164
Base-Backbone interact. energy: 1.955
local terms energy: -585.850204
where:
bonds (distance) C4'-P energy: -129.433
bonds (distance) P-C4' energy: -140.352
flat angles C4'-P-C4' energy: -108.529
flat angles P-C4'-P energy: -79.938
tors. eta vs tors. theta energy: -127.598
Dist. restrs. and SS energy: 10.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2851.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.041282 (E_RNA)
where:
Base-Base interactions energy: -1946.921
where: short stacking energy: -784.677
Base-Backbone interact. energy: -3.802
local terms energy: -902.317924
where:
bonds (distance) C4'-P energy: -175.332
bonds (distance) P-C4' energy: -178.684
flat angles C4'-P-C4' energy: -193.021
flat angles P-C4'-P energy: -128.019
tors. eta vs tors. theta energy: -227.262
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2788.104095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.104095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.731834 (E_RNA)
where:
Base-Base interactions energy: -1920.147
where: short stacking energy: -819.740
Base-Backbone interact. energy: -5.828
local terms energy: -863.756170
where:
bonds (distance) C4'-P energy: -145.366
bonds (distance) P-C4' energy: -157.257
flat angles C4'-P-C4' energy: -181.396
flat angles P-C4'-P energy: -123.483
tors. eta vs tors. theta energy: -256.254
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: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2702.849471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.849471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.789823 (E_RNA)
where:
Base-Base interactions energy: -1885.017
where: short stacking energy: -797.211
Base-Backbone interact. energy: -2.945
local terms energy: -816.827468
where:
bonds (distance) C4'-P energy: -153.654
bonds (distance) P-C4' energy: -159.561
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -111.077
tors. eta vs tors. theta energy: -236.417
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2425.089278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.089278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.313122 (E_RNA)
where:
Base-Base interactions energy: -1644.046
where: short stacking energy: -703.044
Base-Backbone interact. energy: 1.124
local terms energy: -783.391445
where:
bonds (distance) C4'-P energy: -162.117
bonds (distance) P-C4' energy: -153.145
flat angles C4'-P-C4' energy: -166.225
flat angles P-C4'-P energy: -105.087
tors. eta vs tors. theta energy: -196.818
Dist. restrs. and SS energy: 1.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2316.040748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.040748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.408635 (E_RNA)
where:
Base-Base interactions energy: -1587.168
where: short stacking energy: -714.500
Base-Backbone interact. energy: 0.159
local terms energy: -732.399031
where:
bonds (distance) C4'-P energy: -141.533
bonds (distance) P-C4' energy: -137.256
flat angles C4'-P-C4' energy: -163.084
flat angles P-C4'-P energy: -96.305
tors. eta vs tors. theta energy: -194.221
Dist. restrs. and SS energy: 3.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2270.076286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.076286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.948407 (E_RNA)
where:
Base-Base interactions energy: -1541.170
where: short stacking energy: -656.548
Base-Backbone interact. energy: -4.376
local terms energy: -727.402323
where:
bonds (distance) C4'-P energy: -144.491
bonds (distance) P-C4' energy: -134.963
flat angles C4'-P-C4' energy: -165.656
flat angles P-C4'-P energy: -97.606
tors. eta vs tors. theta energy: -184.687
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: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2080.697539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.697539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.281066 (E_RNA)
where:
Base-Base interactions energy: -1381.301
where: short stacking energy: -600.197
Base-Backbone interact. energy: -3.926
local terms energy: -698.054204
where:
bonds (distance) C4'-P energy: -137.882
bonds (distance) P-C4' energy: -143.287
flat angles C4'-P-C4' energy: -172.848
flat angles P-C4'-P energy: -90.064
tors. eta vs tors. theta energy: -153.974
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2021.300813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.300813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.012617 (E_RNA)
where:
Base-Base interactions energy: -1354.045
where: short stacking energy: -585.812
Base-Backbone interact. energy: 1.822
local terms energy: -670.789890
where:
bonds (distance) C4'-P energy: -143.883
bonds (distance) P-C4' energy: -132.080
flat angles C4'-P-C4' energy: -152.216
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -151.439
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1962.294194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.294194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.020802 (E_RNA)
where:
Base-Base interactions energy: -1330.995
where: short stacking energy: -553.836
Base-Backbone interact. energy: -1.228
local terms energy: -633.797344
where:
bonds (distance) C4'-P energy: -120.399
bonds (distance) P-C4' energy: -123.811
flat angles C4'-P-C4' energy: -149.322
flat angles P-C4'-P energy: -103.002
tors. eta vs tors. theta energy: -137.264
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1874.180430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.180430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.045192 (E_RNA)
where:
Base-Base interactions energy: -1283.926
where: short stacking energy: -530.637
Base-Backbone interact. energy: 6.830
local terms energy: -600.948413
where:
bonds (distance) C4'-P energy: -127.975
bonds (distance) P-C4' energy: -137.368
flat angles C4'-P-C4' energy: -127.056
flat angles P-C4'-P energy: -88.596
tors. eta vs tors. theta energy: -119.953
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: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2866.258303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.258303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.280416 (E_RNA)
where:
Base-Base interactions energy: -2001.992
where: short stacking energy: -815.682
Base-Backbone interact. energy: -5.579
local terms energy: -860.709630
where:
bonds (distance) C4'-P energy: -163.911
bonds (distance) P-C4' energy: -155.807
flat angles C4'-P-C4' energy: -181.195
flat angles P-C4'-P energy: -127.536
tors. eta vs tors. theta energy: -232.261
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: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2833.575066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.575066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.934942 (E_RNA)
where:
Base-Base interactions energy: -1954.471
where: short stacking energy: -827.896
Base-Backbone interact. energy: -1.179
local terms energy: -880.284670
where:
bonds (distance) C4'-P energy: -143.811
bonds (distance) P-C4' energy: -171.618
flat angles C4'-P-C4' energy: -179.532
flat angles P-C4'-P energy: -135.262
tors. eta vs tors. theta energy: -250.062
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: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2673.098744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.098744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.376178 (E_RNA)
where:
Base-Base interactions energy: -1828.885
where: short stacking energy: -771.717
Base-Backbone interact. energy: -3.495
local terms energy: -842.996309
where:
bonds (distance) C4'-P energy: -173.127
bonds (distance) P-C4' energy: -166.859
flat angles C4'-P-C4' energy: -175.710
flat angles P-C4'-P energy: -107.696
tors. eta vs tors. theta energy: -219.604
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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2408.214210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.214210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.669921 (E_RNA)
where:
Base-Base interactions energy: -1630.486
where: short stacking energy: -704.111
Base-Backbone interact. energy: -4.004
local terms energy: -777.180036
where:
bonds (distance) C4'-P energy: -152.831
bonds (distance) P-C4' energy: -139.027
flat angles C4'-P-C4' energy: -173.003
flat angles P-C4'-P energy: -101.605
tors. eta vs tors. theta energy: -210.715
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2349.239682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.239682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.936242 (E_RNA)
where:
Base-Base interactions energy: -1563.873
where: short stacking energy: -702.085
Base-Backbone interact. energy: 1.069
local terms energy: -789.131860
where:
bonds (distance) C4'-P energy: -150.311
bonds (distance) P-C4' energy: -145.257
flat angles C4'-P-C4' energy: -169.716
flat angles P-C4'-P energy: -113.386
tors. eta vs tors. theta energy: -210.462
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: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2187.285651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.285651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.494652 (E_RNA)
where:
Base-Base interactions energy: -1483.549
where: short stacking energy: -611.871
Base-Backbone interact. energy: -2.766
local terms energy: -704.179717
where:
bonds (distance) C4'-P energy: -130.087
bonds (distance) P-C4' energy: -154.317
flat angles C4'-P-C4' energy: -150.490
flat angles P-C4'-P energy: -106.030
tors. eta vs tors. theta energy: -163.256
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2117.448219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.448219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.222786 (E_RNA)
where:
Base-Base interactions energy: -1463.752
where: short stacking energy: -635.541
Base-Backbone interact. energy: 16.019
local terms energy: -671.490320
where:
bonds (distance) C4'-P energy: -131.821
bonds (distance) P-C4' energy: -140.448
flat angles C4'-P-C4' energy: -143.068
flat angles P-C4'-P energy: -90.939
tors. eta vs tors. theta energy: -165.215
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2031.436818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.436818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.107444 (E_RNA)
where:
Base-Base interactions energy: -1344.517
where: short stacking energy: -562.681
Base-Backbone interact. energy: 3.419
local terms energy: -693.010025
where:
bonds (distance) C4'-P energy: -121.380
bonds (distance) P-C4' energy: -154.468
flat angles C4'-P-C4' energy: -156.863
flat angles P-C4'-P energy: -101.132
tors. eta vs tors. theta energy: -159.168
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: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1977.662057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.662057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.042463 (E_RNA)
where:
Base-Base interactions energy: -1314.440
where: short stacking energy: -541.055
Base-Backbone interact. energy: 3.657
local terms energy: -669.259635
where:
bonds (distance) C4'-P energy: -130.902
bonds (distance) P-C4' energy: -123.605
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -95.931
tors. eta vs tors. theta energy: -152.195
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: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1811.118419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.118419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.000234 (E_RNA)
where:
Base-Base interactions energy: -1235.566
where: short stacking energy: -485.084
Base-Backbone interact. energy: -0.917
local terms energy: -578.517612
where:
bonds (distance) C4'-P energy: -111.246
bonds (distance) P-C4' energy: -151.748
flat angles C4'-P-C4' energy: -117.937
flat angles P-C4'-P energy: -88.839
tors. eta vs tors. theta energy: -108.748
Dist. restrs. and SS energy: 3.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2842.020649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.020649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.820148 (E_RNA)
where:
Base-Base interactions energy: -1943.889
where: short stacking energy: -844.503
Base-Backbone interact. energy: -3.681
local terms energy: -896.249387
where:
bonds (distance) C4'-P energy: -174.998
bonds (distance) P-C4' energy: -163.419
flat angles C4'-P-C4' energy: -182.486
flat angles P-C4'-P energy: -133.065
tors. eta vs tors. theta energy: -242.283
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: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2823.385556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.385556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.304427 (E_RNA)
where:
Base-Base interactions energy: -1943.512
where: short stacking energy: -800.127
Base-Backbone interact. energy: -0.876
local terms energy: -880.916856
where:
bonds (distance) C4'-P energy: -164.122
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -179.903
flat angles P-C4'-P energy: -133.755
tors. eta vs tors. theta energy: -244.317
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: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2682.434850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.434850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.149012 (E_RNA)
where:
Base-Base interactions energy: -1852.626
where: short stacking energy: -774.777
Base-Backbone interact. energy: -3.339
local terms energy: -828.184154
where:
bonds (distance) C4'-P energy: -140.515
bonds (distance) P-C4' energy: -156.106
flat angles C4'-P-C4' energy: -189.700
flat angles P-C4'-P energy: -113.008
tors. eta vs tors. theta energy: -228.855
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2421.570412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.570412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.338818 (E_RNA)
where:
Base-Base interactions energy: -1643.022
where: short stacking energy: -723.811
Base-Backbone interact. energy: -1.417
local terms energy: -780.899668
where:
bonds (distance) C4'-P energy: -145.039
bonds (distance) P-C4' energy: -161.191
flat angles C4'-P-C4' energy: -158.409
flat angles P-C4'-P energy: -108.409
tors. eta vs tors. theta energy: -207.851
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2367.679943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.679943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.296641 (E_RNA)
where:
Base-Base interactions energy: -1605.915
where: short stacking energy: -681.125
Base-Backbone interact. energy: -2.746
local terms energy: -760.636293
where:
bonds (distance) C4'-P energy: -140.689
bonds (distance) P-C4' energy: -142.175
flat angles C4'-P-C4' energy: -169.746
flat angles P-C4'-P energy: -102.880
tors. eta vs tors. theta energy: -205.147
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: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2254.771552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.771552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.712210 (E_RNA)
where:
Base-Base interactions energy: -1549.097
where: short stacking energy: -658.214
Base-Backbone interact. energy: -1.885
local terms energy: -706.730490
where:
bonds (distance) C4'-P energy: -118.381
bonds (distance) P-C4' energy: -152.806
flat angles C4'-P-C4' energy: -167.981
flat angles P-C4'-P energy: -95.358
tors. eta vs tors. theta energy: -172.204
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2065.542590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.542590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.909892 (E_RNA)
where:
Base-Base interactions energy: -1410.222
where: short stacking energy: -581.669
Base-Backbone interact. energy: 5.872
local terms energy: -663.560089
where:
bonds (distance) C4'-P energy: -132.539
bonds (distance) P-C4' energy: -149.826
flat angles C4'-P-C4' energy: -127.651
flat angles P-C4'-P energy: -94.213
tors. eta vs tors. theta energy: -159.331
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: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2057.691222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.063143 (E_RNA)
where:
Base-Base interactions energy: -1379.088
where: short stacking energy: -609.793
Base-Backbone interact. energy: 1.177
local terms energy: -682.151702
where:
bonds (distance) C4'-P energy: -129.747
bonds (distance) P-C4' energy: -125.368
flat angles C4'-P-C4' energy: -157.513
flat angles P-C4'-P energy: -98.990
tors. eta vs tors. theta energy: -170.534
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1919.564321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.564321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.416508 (E_RNA)
where:
Base-Base interactions energy: -1320.611
where: short stacking energy: -557.457
Base-Backbone interact. energy: 3.165
local terms energy: -605.970661
where:
bonds (distance) C4'-P energy: -117.950
bonds (distance) P-C4' energy: -119.512
flat angles C4'-P-C4' energy: -126.984
flat angles P-C4'-P energy: -84.966
tors. eta vs tors. theta energy: -156.558
Dist. restrs. and SS energy: 3.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1779.493669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.493669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.653266 (E_RNA)
where:
Base-Base interactions energy: -1243.146
where: short stacking energy: -513.117
Base-Backbone interact. energy: 1.369
local terms energy: -539.875786
where:
bonds (distance) C4'-P energy: -100.679
bonds (distance) P-C4' energy: -122.285
flat angles C4'-P-C4' energy: -130.420
flat angles P-C4'-P energy: -74.495
tors. eta vs tors. theta energy: -111.996
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: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2845.712915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.712915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.263319 (E_RNA)
where:
Base-Base interactions energy: -1942.333
where: short stacking energy: -807.038
Base-Backbone interact. energy: -3.939
local terms energy: -900.991525
where:
bonds (distance) C4'-P energy: -170.963
bonds (distance) P-C4' energy: -161.219
flat angles C4'-P-C4' energy: -190.645
flat angles P-C4'-P energy: -136.301
tors. eta vs tors. theta energy: -241.863
Dist. restrs. and SS energy: 1.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2824.779465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.779465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.444908 (E_RNA)
where:
Base-Base interactions energy: -1936.727
where: short stacking energy: -841.150
Base-Backbone interact. energy: -2.461
local terms energy: -888.257223
where:
bonds (distance) C4'-P energy: -164.126
bonds (distance) P-C4' energy: -175.483
flat angles C4'-P-C4' energy: -174.101
flat angles P-C4'-P energy: -136.953
tors. eta vs tors. theta energy: -237.595
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2665.575422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.575422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.064982 (E_RNA)
where:
Base-Base interactions energy: -1823.994
where: short stacking energy: -762.125
Base-Backbone interact. energy: -3.739
local terms energy: -840.332553
where:
bonds (distance) C4'-P energy: -164.679
bonds (distance) P-C4' energy: -170.389
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -108.373
tors. eta vs tors. theta energy: -232.512
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2419.464653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.464653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.128906 (E_RNA)
where:
Base-Base interactions energy: -1683.987
where: short stacking energy: -746.340
Base-Backbone interact. energy: 1.064
local terms energy: -739.205501
where:
bonds (distance) C4'-P energy: -124.211
bonds (distance) P-C4' energy: -143.294
flat angles C4'-P-C4' energy: -168.713
flat angles P-C4'-P energy: -100.924
tors. eta vs tors. theta energy: -202.064
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2403.455364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.455364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.620485 (E_RNA)
where:
Base-Base interactions energy: -1653.263
where: short stacking energy: -708.084
Base-Backbone interact. energy: -3.483
local terms energy: -748.875076
where:
bonds (distance) C4'-P energy: -139.134
bonds (distance) P-C4' energy: -131.792
flat angles C4'-P-C4' energy: -171.071
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -213.994
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2195.877747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.877747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.636778 (E_RNA)
where:
Base-Base interactions energy: -1496.669
where: short stacking energy: -659.273
Base-Backbone interact. energy: -1.878
local terms energy: -699.089465
where:
bonds (distance) C4'-P energy: -136.023
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -156.024
flat angles P-C4'-P energy: -102.741
tors. eta vs tors. theta energy: -173.496
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2092.832571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.832571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.592900 (E_RNA)
where:
Base-Base interactions energy: -1464.908
where: short stacking energy: -618.003
Base-Backbone interact. energy: -2.351
local terms energy: -627.333552
where:
bonds (distance) C4'-P energy: -118.717
bonds (distance) P-C4' energy: -119.026
flat angles C4'-P-C4' energy: -147.557
flat angles P-C4'-P energy: -80.083
tors. eta vs tors. theta energy: -161.950
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: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -2058.176691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.176691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.042304 (E_RNA)
where:
Base-Base interactions energy: -1367.906
where: short stacking energy: -584.645
Base-Backbone interact. energy: -2.910
local terms energy: -689.225509
where:
bonds (distance) C4'-P energy: -120.566
bonds (distance) P-C4' energy: -147.398
flat angles C4'-P-C4' energy: -144.199
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -171.189
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: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1878.614003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.614003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.008115 (E_RNA)
where:
Base-Base interactions energy: -1289.930
where: short stacking energy: -539.740
Base-Backbone interact. energy: -4.783
local terms energy: -587.295514
where:
bonds (distance) C4'-P energy: -100.639
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -139.030
flat angles P-C4'-P energy: -86.440
tors. eta vs tors. theta energy: -134.832
Dist. restrs. and SS energy: 3.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1853.876722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.876722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.815429 (E_RNA)
where:
Base-Base interactions energy: -1273.295
where: short stacking energy: -538.024
Base-Backbone interact. energy: 0.801
local terms energy: -587.321779
where:
bonds (distance) C4'-P energy: -142.029
bonds (distance) P-C4' energy: -115.633
flat angles C4'-P-C4' energy: -123.420
flat angles P-C4'-P energy: -72.296
tors. eta vs tors. theta energy: -133.943
Dist. restrs. and SS energy: 5.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2866.900915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.597804 (E_RNA)
where:
Base-Base interactions energy: -1975.370
where: short stacking energy: -832.341
Base-Backbone interact. energy: -3.304
local terms energy: -889.923734
where:
bonds (distance) C4'-P energy: -159.331
bonds (distance) P-C4' energy: -166.656
flat angles C4'-P-C4' energy: -191.244
flat angles P-C4'-P energy: -124.902
tors. eta vs tors. theta energy: -247.790
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2832.619176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.619176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.597629 (E_RNA)
where:
Base-Base interactions energy: -1959.710
where: short stacking energy: -827.954
Base-Backbone interact. energy: -0.716
local terms energy: -874.171658
where:
bonds (distance) C4'-P energy: -146.605
bonds (distance) P-C4' energy: -180.854
flat angles C4'-P-C4' energy: -186.965
flat angles P-C4'-P energy: -113.476
tors. eta vs tors. theta energy: -246.271
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: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2676.033752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.033752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.477400 (E_RNA)
where:
Base-Base interactions energy: -1858.661
where: short stacking energy: -767.386
Base-Backbone interact. energy: -2.434
local terms energy: -816.381748
where:
bonds (distance) C4'-P energy: -149.887
bonds (distance) P-C4' energy: -158.332
flat angles C4'-P-C4' energy: -173.711
flat angles P-C4'-P energy: -116.420
tors. eta vs tors. theta energy: -218.031
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2421.928525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.928525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.531422 (E_RNA)
where:
Base-Base interactions energy: -1650.082
where: short stacking energy: -718.462
Base-Backbone interact. energy: -0.098
local terms energy: -780.351482
where:
bonds (distance) C4'-P energy: -130.969
bonds (distance) P-C4' energy: -158.026
flat angles C4'-P-C4' energy: -171.887
flat angles P-C4'-P energy: -119.233
tors. eta vs tors. theta energy: -200.236
Dist. restrs. and SS energy: 8.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2366.528150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.528150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.714617 (E_RNA)
where:
Base-Base interactions energy: -1604.459
where: short stacking energy: -698.621
Base-Backbone interact. energy: -4.107
local terms energy: -761.148658
where:
bonds (distance) C4'-P energy: -147.805
bonds (distance) P-C4' energy: -137.822
flat angles C4'-P-C4' energy: -173.446
flat angles P-C4'-P energy: -100.245
tors. eta vs tors. theta energy: -201.830
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2146.667945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.667945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.348797 (E_RNA)
where:
Base-Base interactions energy: -1430.449
where: short stacking energy: -611.737
Base-Backbone interact. energy: 2.502
local terms energy: -721.401303
where:
bonds (distance) C4'-P energy: -132.628
bonds (distance) P-C4' energy: -150.373
flat angles C4'-P-C4' energy: -151.604
flat angles P-C4'-P energy: -115.634
tors. eta vs tors. theta energy: -171.163
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: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2084.816047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.816047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.320111 (E_RNA)
where:
Base-Base interactions energy: -1413.425
where: short stacking energy: -598.916
Base-Backbone interact. energy: -5.428
local terms energy: -668.466850
where:
bonds (distance) C4'-P energy: -114.569
bonds (distance) P-C4' energy: -150.773
flat angles C4'-P-C4' energy: -144.922
flat angles P-C4'-P energy: -101.029
tors. eta vs tors. theta energy: -157.173
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: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2060.470916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.470916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.126844 (E_RNA)
where:
Base-Base interactions energy: -1400.111
where: short stacking energy: -578.286
Base-Backbone interact. energy: 5.577
local terms energy: -668.593056
where:
bonds (distance) C4'-P energy: -122.859
bonds (distance) P-C4' energy: -131.099
flat angles C4'-P-C4' energy: -150.966
flat angles P-C4'-P energy: -97.937
tors. eta vs tors. theta energy: -165.731
Dist. restrs. and SS energy: 2.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1964.298056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.298056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.594646 (E_RNA)
where:
Base-Base interactions energy: -1320.224
where: short stacking energy: -558.119
Base-Backbone interact. energy: 11.281
local terms energy: -657.651417
where:
bonds (distance) C4'-P energy: -155.391
bonds (distance) P-C4' energy: -137.220
flat angles C4'-P-C4' energy: -144.150
flat angles P-C4'-P energy: -79.931
tors. eta vs tors. theta energy: -140.960
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: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1887.411913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.411913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.783780 (E_RNA)
where:
Base-Base interactions energy: -1302.323
where: short stacking energy: -533.574
Base-Backbone interact. energy: 2.052
local terms energy: -590.512828
where:
bonds (distance) C4'-P energy: -121.859
bonds (distance) P-C4' energy: -109.374
flat angles C4'-P-C4' energy: -127.689
flat angles P-C4'-P energy: -104.258
tors. eta vs tors. theta energy: -127.334
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2864.099774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.099774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.397657 (E_RNA)
where:
Base-Base interactions energy: -1955.355
where: short stacking energy: -840.882
Base-Backbone interact. energy: 3.470
local terms energy: -913.512546
where:
bonds (distance) C4'-P energy: -157.641
bonds (distance) P-C4' energy: -184.627
flat angles C4'-P-C4' energy: -186.694
flat angles P-C4'-P energy: -138.552
tors. eta vs tors. theta energy: -245.998
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: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2812.484312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.484312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.257735 (E_RNA)
where:
Base-Base interactions energy: -1940.776
where: short stacking energy: -834.889
Base-Backbone interact. energy: -2.376
local terms energy: -871.105605
where:
bonds (distance) C4'-P energy: -162.403
bonds (distance) P-C4' energy: -157.531
flat angles C4'-P-C4' energy: -190.301
flat angles P-C4'-P energy: -118.077
tors. eta vs tors. theta energy: -242.793
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: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2702.852660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.852660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.402330 (E_RNA)
where:
Base-Base interactions energy: -1890.895
where: short stacking energy: -802.046
Base-Backbone interact. energy: -4.013
local terms energy: -809.494863
where:
bonds (distance) C4'-P energy: -155.227
bonds (distance) P-C4' energy: -145.214
flat angles C4'-P-C4' energy: -172.366
flat angles P-C4'-P energy: -113.100
tors. eta vs tors. theta energy: -223.588
Dist. restrs. and SS energy: 1.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2436.913139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.913139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.030776 (E_RNA)
where:
Base-Base interactions energy: -1657.370
where: short stacking energy: -721.499
Base-Backbone interact. energy: 4.392
local terms energy: -787.052824
where:
bonds (distance) C4'-P energy: -143.225
bonds (distance) P-C4' energy: -145.805
flat angles C4'-P-C4' energy: -181.962
flat angles P-C4'-P energy: -112.525
tors. eta vs tors. theta energy: -203.536
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2318.770788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.770788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.870034 (E_RNA)
where:
Base-Base interactions energy: -1552.047
where: short stacking energy: -663.920
Base-Backbone interact. energy: -0.627
local terms energy: -768.195733
where:
bonds (distance) C4'-P energy: -156.535
bonds (distance) P-C4' energy: -134.593
flat angles C4'-P-C4' energy: -166.394
flat angles P-C4'-P energy: -117.790
tors. eta vs tors. theta energy: -192.884
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: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2167.541110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.541110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.966794 (E_RNA)
where:
Base-Base interactions energy: -1447.626
where: short stacking energy: -600.335
Base-Backbone interact. energy: -2.733
local terms energy: -718.607722
where:
bonds (distance) C4'-P energy: -137.324
bonds (distance) P-C4' energy: -161.651
flat angles C4'-P-C4' energy: -159.479
flat angles P-C4'-P energy: -85.275
tors. eta vs tors. theta energy: -174.880
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: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2075.909143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.909143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.865475 (E_RNA)
where:
Base-Base interactions energy: -1419.725
where: short stacking energy: -603.150
Base-Backbone interact. energy: -0.647
local terms energy: -656.493519
where:
bonds (distance) C4'-P energy: -116.282
bonds (distance) P-C4' energy: -149.274
flat angles C4'-P-C4' energy: -151.647
flat angles P-C4'-P energy: -79.083
tors. eta vs tors. theta energy: -160.207
Dist. restrs. and SS energy: 0.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1995.852579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.852579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.592540 (E_RNA)
where:
Base-Base interactions energy: -1344.053
where: short stacking energy: -564.866
Base-Backbone interact. energy: -0.126
local terms energy: -654.413587
where:
bonds (distance) C4'-P energy: -139.595
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -156.164
flat angles P-C4'-P energy: -82.594
tors. eta vs tors. theta energy: -147.149
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1914.239280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.239280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.269278 (E_RNA)
where:
Base-Base interactions energy: -1298.641
where: short stacking energy: -550.157
Base-Backbone interact. energy: 1.002
local terms energy: -619.630731
where:
bonds (distance) C4'-P energy: -118.699
bonds (distance) P-C4' energy: -142.578
flat angles C4'-P-C4' energy: -134.084
flat angles P-C4'-P energy: -94.071
tors. eta vs tors. theta energy: -130.198
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: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1874.383860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.383860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.819953 (E_RNA)
where:
Base-Base interactions energy: -1275.739
where: short stacking energy: -537.388
Base-Backbone interact. energy: 2.327
local terms energy: -610.407716
where:
bonds (distance) C4'-P energy: -112.194
bonds (distance) P-C4' energy: -127.557
flat angles C4'-P-C4' energy: -131.722
flat angles P-C4'-P energy: -96.966
tors. eta vs tors. theta energy: -141.968
Dist. restrs. and SS energy: 9.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2916.185921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.185921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.400623 (E_RNA)
where:
Base-Base interactions energy: -2021.363
where: short stacking energy: -849.908
Base-Backbone interact. energy: -4.936
local terms energy: -891.100896
where:
bonds (distance) C4'-P energy: -168.683
bonds (distance) P-C4' energy: -164.182
flat angles C4'-P-C4' energy: -185.377
flat angles P-C4'-P energy: -123.943
tors. eta vs tors. theta energy: -248.916
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: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2817.240211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.240211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.237449 (E_RNA)
where:
Base-Base interactions energy: -1934.224
where: short stacking energy: -823.708
Base-Backbone interact. energy: -1.644
local terms energy: -883.369316
where:
bonds (distance) C4'-P energy: -163.944
bonds (distance) P-C4' energy: -162.458
flat angles C4'-P-C4' energy: -180.685
flat angles P-C4'-P energy: -125.110
tors. eta vs tors. theta energy: -251.173
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2733.467500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.467500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.802848 (E_RNA)
where:
Base-Base interactions energy: -1898.067
where: short stacking energy: -806.775
Base-Backbone interact. energy: -3.109
local terms energy: -834.626518
where:
bonds (distance) C4'-P energy: -156.164
bonds (distance) P-C4' energy: -148.603
flat angles C4'-P-C4' energy: -189.289
flat angles P-C4'-P energy: -118.365
tors. eta vs tors. theta energy: -222.205
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: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2418.305967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.305967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.286523 (E_RNA)
where:
Base-Base interactions energy: -1664.204
where: short stacking energy: -749.045
Base-Backbone interact. energy: -1.382
local terms energy: -755.700775
where:
bonds (distance) C4'-P energy: -150.237
bonds (distance) P-C4' energy: -145.324
flat angles C4'-P-C4' energy: -147.084
flat angles P-C4'-P energy: -101.415
tors. eta vs tors. theta energy: -211.641
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2359.532584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.532584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.472637 (E_RNA)
where:
Base-Base interactions energy: -1600.629
where: short stacking energy: -709.859
Base-Backbone interact. energy: 0.090
local terms energy: -760.933854
where:
bonds (distance) C4'-P energy: -147.836
bonds (distance) P-C4' energy: -148.283
flat angles C4'-P-C4' energy: -155.534
flat angles P-C4'-P energy: -106.710
tors. eta vs tors. theta energy: -202.570
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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2223.233918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.233918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.882651 (E_RNA)
where:
Base-Base interactions energy: -1509.989
where: short stacking energy: -661.201
Base-Backbone interact. energy: -4.764
local terms energy: -711.129352
where:
bonds (distance) C4'-P energy: -149.998
bonds (distance) P-C4' energy: -125.703
flat angles C4'-P-C4' energy: -147.882
flat angles P-C4'-P energy: -99.060
tors. eta vs tors. theta energy: -188.487
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2094.260361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.260361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.380350 (E_RNA)
where:
Base-Base interactions energy: -1410.190
where: short stacking energy: -601.156
Base-Backbone interact. energy: -1.921
local terms energy: -684.270022
where:
bonds (distance) C4'-P energy: -126.615
bonds (distance) P-C4' energy: -131.871
flat angles C4'-P-C4' energy: -153.370
flat angles P-C4'-P energy: -103.287
tors. eta vs tors. theta energy: -169.127
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: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1992.226764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.226764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.936028 (E_RNA)
where:
Base-Base interactions energy: -1353.280
where: short stacking energy: -583.199
Base-Backbone interact. energy: -0.953
local terms energy: -641.702836
where:
bonds (distance) C4'-P energy: -102.577
bonds (distance) P-C4' energy: -136.601
flat angles C4'-P-C4' energy: -149.393
flat angles P-C4'-P energy: -98.051
tors. eta vs tors. theta energy: -155.081
Dist. restrs. and SS energy: 3.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1933.738626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.738626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.048222 (E_RNA)
where:
Base-Base interactions energy: -1337.324
where: short stacking energy: -553.641
Base-Backbone interact. energy: 2.417
local terms energy: -604.141630
where:
bonds (distance) C4'-P energy: -115.710
bonds (distance) P-C4' energy: -132.990
flat angles C4'-P-C4' energy: -135.017
flat angles P-C4'-P energy: -81.430
tors. eta vs tors. theta energy: -138.994
Dist. restrs. and SS energy: 5.310 (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: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1840.500454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.500454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.285358 (E_RNA)
where:
Base-Base interactions energy: -1273.508
where: short stacking energy: -524.898
Base-Backbone interact. energy: -1.853
local terms energy: -568.923513
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -123.071
flat angles C4'-P-C4' energy: -126.482
flat angles P-C4'-P energy: -74.288
tors. eta vs tors. theta energy: -121.023
Dist. restrs. and SS energy: 3.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2894.488839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.488839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.583882 (E_RNA)
where:
Base-Base interactions energy: -2020.959
where: short stacking energy: -859.232
Base-Backbone interact. energy: -2.801
local terms energy: -871.823881
where:
bonds (distance) C4'-P energy: -149.301
bonds (distance) P-C4' energy: -162.330
flat angles C4'-P-C4' energy: -190.250
flat angles P-C4'-P energy: -128.738
tors. eta vs tors. theta energy: -241.205
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2842.717472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.717472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.178553 (E_RNA)
where:
Base-Base interactions energy: -1963.293
where: short stacking energy: -837.187
Base-Backbone interact. energy: -0.033
local terms energy: -881.852815
where:
bonds (distance) C4'-P energy: -159.850
bonds (distance) P-C4' energy: -172.089
flat angles C4'-P-C4' energy: -171.493
flat angles P-C4'-P energy: -124.216
tors. eta vs tors. theta energy: -254.205
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: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2702.098957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.098957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.900263 (E_RNA)
where:
Base-Base interactions energy: -1860.357
where: short stacking energy: -763.687
Base-Backbone interact. energy: -0.102
local terms energy: -843.440524
where:
bonds (distance) C4'-P energy: -164.390
bonds (distance) P-C4' energy: -162.472
flat angles C4'-P-C4' energy: -185.656
flat angles P-C4'-P energy: -109.563
tors. eta vs tors. theta energy: -221.360
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2420.824655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.824655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.948635 (E_RNA)
where:
Base-Base interactions energy: -1635.629
where: short stacking energy: -725.655
Base-Backbone interact. energy: -3.998
local terms energy: -783.322043
where:
bonds (distance) C4'-P energy: -152.629
bonds (distance) P-C4' energy: -146.965
flat angles C4'-P-C4' energy: -165.534
flat angles P-C4'-P energy: -106.567
tors. eta vs tors. theta energy: -211.627
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2374.340598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.340598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.292422 (E_RNA)
where:
Base-Base interactions energy: -1624.138
where: short stacking energy: -716.973
Base-Backbone interact. energy: -0.596
local terms energy: -751.558362
where:
bonds (distance) C4'-P energy: -133.165
bonds (distance) P-C4' energy: -146.353
flat angles C4'-P-C4' energy: -164.254
flat angles P-C4'-P energy: -102.519
tors. eta vs tors. theta energy: -205.267
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: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2231.007806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.007806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.410987 (E_RNA)
where:
Base-Base interactions energy: -1553.766
where: short stacking energy: -646.317
Base-Backbone interact. energy: -1.971
local terms energy: -677.674786
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -146.797
flat angles C4'-P-C4' energy: -140.426
flat angles P-C4'-P energy: -102.486
tors. eta vs tors. theta energy: -169.317
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: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2099.193620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.193620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.897540 (E_RNA)
where:
Base-Base interactions energy: -1420.683
where: short stacking energy: -603.689
Base-Backbone interact. energy: -0.984
local terms energy: -679.230968
where:
bonds (distance) C4'-P energy: -108.793
bonds (distance) P-C4' energy: -156.744
flat angles C4'-P-C4' energy: -151.955
flat angles P-C4'-P energy: -96.224
tors. eta vs tors. theta energy: -165.515
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2014.532561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.532561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.887559 (E_RNA)
where:
Base-Base interactions energy: -1359.643
where: short stacking energy: -576.898
Base-Backbone interact. energy: 3.300
local terms energy: -659.544417
where:
bonds (distance) C4'-P energy: -121.817
bonds (distance) P-C4' energy: -135.936
flat angles C4'-P-C4' energy: -156.323
flat angles P-C4'-P energy: -98.441
tors. eta vs tors. theta energy: -147.027
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1903.269955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.269955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.429538 (E_RNA)
where:
Base-Base interactions energy: -1316.728
where: short stacking energy: -537.123
Base-Backbone interact. energy: -0.252
local terms energy: -589.449466
where:
bonds (distance) C4'-P energy: -123.438
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -129.531
flat angles P-C4'-P energy: -72.346
tors. eta vs tors. theta energy: -129.275
Dist. restrs. and SS energy: 3.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1871.150138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.150138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.709355 (E_RNA)
where:
Base-Base interactions energy: -1270.534
where: short stacking energy: -513.792
Base-Backbone interact. energy: 2.236
local terms energy: -605.411189
where:
bonds (distance) C4'-P energy: -136.262
bonds (distance) P-C4' energy: -124.782
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -125.815
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2873.318594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.318594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.992780 (E_RNA)
where:
Base-Base interactions energy: -1979.520
where: short stacking energy: -830.948
Base-Backbone interact. energy: -5.922
local terms energy: -889.550298
where:
bonds (distance) C4'-P energy: -153.004
bonds (distance) P-C4' energy: -172.163
flat angles C4'-P-C4' energy: -190.697
flat angles P-C4'-P energy: -128.657
tors. eta vs tors. theta energy: -245.029
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2817.699361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.699361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.538325 (E_RNA)
where:
Base-Base interactions energy: -1948.609
where: short stacking energy: -839.193
Base-Backbone interact. energy: -0.372
local terms energy: -872.556661
where:
bonds (distance) C4'-P energy: -134.645
bonds (distance) P-C4' energy: -164.753
flat angles C4'-P-C4' energy: -192.962
flat angles P-C4'-P energy: -125.945
tors. eta vs tors. theta energy: -254.252
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: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2706.249540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.249540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.990513 (E_RNA)
where:
Base-Base interactions energy: -1867.275
where: short stacking energy: -772.261
Base-Backbone interact. energy: -2.577
local terms energy: -839.138459
where:
bonds (distance) C4'-P energy: -146.369
bonds (distance) P-C4' energy: -166.531
flat angles C4'-P-C4' energy: -173.887
flat angles P-C4'-P energy: -113.530
tors. eta vs tors. theta energy: -238.820
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: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2446.745161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.745161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.870135 (E_RNA)
where:
Base-Base interactions energy: -1658.857
where: short stacking energy: -731.996
Base-Backbone interact. energy: -2.793
local terms energy: -788.220539
where:
bonds (distance) C4'-P energy: -140.966
bonds (distance) P-C4' energy: -163.062
flat angles C4'-P-C4' energy: -170.361
flat angles P-C4'-P energy: -109.698
tors. eta vs tors. theta energy: -204.134
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2382.554118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.554118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.314451 (E_RNA)
where:
Base-Base interactions energy: -1633.648
where: short stacking energy: -718.109
Base-Backbone interact. energy: 0.661
local terms energy: -752.327420
where:
bonds (distance) C4'-P energy: -136.334
bonds (distance) P-C4' energy: -134.095
flat angles C4'-P-C4' energy: -170.236
flat angles P-C4'-P energy: -115.176
tors. eta vs tors. theta energy: -196.486
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: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2234.876554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.876554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.327196 (E_RNA)
where:
Base-Base interactions energy: -1513.130
where: short stacking energy: -652.673
Base-Backbone interact. energy: -2.596
local terms energy: -720.601247
where:
bonds (distance) C4'-P energy: -137.319
bonds (distance) P-C4' energy: -150.032
flat angles C4'-P-C4' energy: -153.977
flat angles P-C4'-P energy: -107.793
tors. eta vs tors. theta energy: -171.480
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: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2064.281936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.281936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.700948 (E_RNA)
where:
Base-Base interactions energy: -1400.278
where: short stacking energy: -596.255
Base-Backbone interact. energy: 1.914
local terms energy: -667.336503
where:
bonds (distance) C4'-P energy: -143.969
bonds (distance) P-C4' energy: -124.200
flat angles C4'-P-C4' energy: -158.692
flat angles P-C4'-P energy: -97.463
tors. eta vs tors. theta energy: -143.012
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: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2011.498203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.498203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.323046 (E_RNA)
where:
Base-Base interactions energy: -1410.218
where: short stacking energy: -613.360
Base-Backbone interact. energy: 1.024
local terms energy: -606.129394
where:
bonds (distance) C4'-P energy: -99.828
bonds (distance) P-C4' energy: -115.441
flat angles C4'-P-C4' energy: -145.609
flat angles P-C4'-P energy: -93.948
tors. eta vs tors. theta energy: -151.304
Dist. restrs. and SS energy: 3.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1943.590951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.590951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.655859 (E_RNA)
where:
Base-Base interactions energy: -1335.294
where: short stacking energy: -543.302
Base-Backbone interact. energy: 7.643
local terms energy: -618.004547
where:
bonds (distance) C4'-P energy: -134.506
bonds (distance) P-C4' energy: -131.609
flat angles C4'-P-C4' energy: -147.744
flat angles P-C4'-P energy: -97.468
tors. eta vs tors. theta energy: -106.677
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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1845.638150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.638150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.514996 (E_RNA)
where:
Base-Base interactions energy: -1238.694
where: short stacking energy: -546.820
Base-Backbone interact. energy: 1.548
local terms energy: -613.369534
where:
bonds (distance) C4'-P energy: -125.942
bonds (distance) P-C4' energy: -130.934
flat angles C4'-P-C4' energy: -137.064
flat angles P-C4'-P energy: -81.129
tors. eta vs tors. theta energy: -138.301
Dist. restrs. and SS energy: 4.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2892.673999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.673999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.970567 (E_RNA)
where:
Base-Base interactions energy: -2018.734
where: short stacking energy: -842.395
Base-Backbone interact. energy: -4.294
local terms energy: -870.942642
where:
bonds (distance) C4'-P energy: -153.218
bonds (distance) P-C4' energy: -168.597
flat angles C4'-P-C4' energy: -175.140
flat angles P-C4'-P energy: -127.786
tors. eta vs tors. theta energy: -246.202
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: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2781.739687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.739687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.856441 (E_RNA)
where:
Base-Base interactions energy: -1936.802
where: short stacking energy: -824.282
Base-Backbone interact. energy: -4.546
local terms energy: -841.508474
where:
bonds (distance) C4'-P energy: -146.068
bonds (distance) P-C4' energy: -150.227
flat angles C4'-P-C4' energy: -177.304
flat angles P-C4'-P energy: -125.134
tors. eta vs tors. theta energy: -242.776
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: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2719.927490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.927490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.406617 (E_RNA)
where:
Base-Base interactions energy: -1892.340
where: short stacking energy: -789.645
Base-Backbone interact. energy: -2.497
local terms energy: -826.569461
where:
bonds (distance) C4'-P energy: -139.176
bonds (distance) P-C4' energy: -151.963
flat angles C4'-P-C4' energy: -190.886
flat angles P-C4'-P energy: -106.993
tors. eta vs tors. theta energy: -237.551
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: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2449.240848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.240848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.567724 (E_RNA)
where:
Base-Base interactions energy: -1675.086
where: short stacking energy: -729.622
Base-Backbone interact. energy: -2.511
local terms energy: -774.970540
where:
bonds (distance) C4'-P energy: -123.297
bonds (distance) P-C4' energy: -153.280
flat angles C4'-P-C4' energy: -175.582
flat angles P-C4'-P energy: -117.184
tors. eta vs tors. theta energy: -205.628
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2348.490198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.490198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.549336 (E_RNA)
where:
Base-Base interactions energy: -1565.762
where: short stacking energy: -668.121
Base-Backbone interact. energy: -1.148
local terms energy: -783.639852
where:
bonds (distance) C4'-P energy: -165.327
bonds (distance) P-C4' energy: -152.733
flat angles C4'-P-C4' energy: -165.880
flat angles P-C4'-P energy: -118.642
tors. eta vs tors. theta energy: -181.058
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: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2202.252070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.252070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.553546 (E_RNA)
where:
Base-Base interactions energy: -1514.867
where: short stacking energy: -642.936
Base-Backbone interact. energy: 1.507
local terms energy: -690.194189
where:
bonds (distance) C4'-P energy: -132.371
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -136.610
flat angles P-C4'-P energy: -117.715
tors. eta vs tors. theta energy: -194.380
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2125.523291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.523291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.396467 (E_RNA)
where:
Base-Base interactions energy: -1422.134
where: short stacking energy: -593.985
Base-Backbone interact. energy: -2.961
local terms energy: -703.301225
where:
bonds (distance) C4'-P energy: -140.757
bonds (distance) P-C4' energy: -138.252
flat angles C4'-P-C4' energy: -156.925
flat angles P-C4'-P energy: -107.711
tors. eta vs tors. theta energy: -159.656
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: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2028.464807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.464807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.424461 (E_RNA)
where:
Base-Base interactions energy: -1377.793
where: short stacking energy: -591.160
Base-Backbone interact. energy: -1.712
local terms energy: -650.920027
where:
bonds (distance) C4'-P energy: -120.238
bonds (distance) P-C4' energy: -134.382
flat angles C4'-P-C4' energy: -155.279
flat angles P-C4'-P energy: -89.979
tors. eta vs tors. theta energy: -151.043
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: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1923.646444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.646444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.299185 (E_RNA)
where:
Base-Base interactions energy: -1295.424
where: short stacking energy: -539.462
Base-Backbone interact. energy: 6.760
local terms energy: -638.635478
where:
bonds (distance) C4'-P energy: -136.824
bonds (distance) P-C4' energy: -137.475
flat angles C4'-P-C4' energy: -155.118
flat angles P-C4'-P energy: -78.023
tors. eta vs tors. theta energy: -131.195
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1846.418368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.418368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.770670 (E_RNA)
where:
Base-Base interactions energy: -1258.212
where: short stacking energy: -530.461
Base-Backbone interact. energy: -1.296
local terms energy: -589.262637
where:
bonds (distance) C4'-P energy: -126.146
bonds (distance) P-C4' energy: -104.715
flat angles C4'-P-C4' energy: -141.425
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -134.425
Dist. restrs. and SS energy: 2.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2891.812876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.812876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.320779 (E_RNA)
where:
Base-Base interactions energy: -2002.807
where: short stacking energy: -824.573
Base-Backbone interact. energy: -4.179
local terms energy: -886.334105
where:
bonds (distance) C4'-P energy: -163.355
bonds (distance) P-C4' energy: -155.047
flat angles C4'-P-C4' energy: -183.565
flat angles P-C4'-P energy: -132.505
tors. eta vs tors. theta energy: -251.861
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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2799.932382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.932382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.893811 (E_RNA)
where:
Base-Base interactions energy: -1946.873
where: short stacking energy: -826.719
Base-Backbone interact. energy: -2.188
local terms energy: -852.832199
where:
bonds (distance) C4'-P energy: -147.811
bonds (distance) P-C4' energy: -164.143
flat angles C4'-P-C4' energy: -179.065
flat angles P-C4'-P energy: -115.931
tors. eta vs tors. theta energy: -245.882
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: 3, replica: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2714.548072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.548072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.199719 (E_RNA)
where:
Base-Base interactions energy: -1908.893
where: short stacking energy: -793.706
Base-Backbone interact. energy: -1.953
local terms energy: -805.354215
where:
bonds (distance) C4'-P energy: -146.200
bonds (distance) P-C4' energy: -167.429
flat angles C4'-P-C4' energy: -167.482
flat angles P-C4'-P energy: -100.688
tors. eta vs tors. theta energy: -223.555
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2518.846528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.846528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.028304 (E_RNA)
where:
Base-Base interactions energy: -1733.967
where: short stacking energy: -714.419
Base-Backbone interact. energy: 4.582
local terms energy: -791.643451
where:
bonds (distance) C4'-P energy: -141.412
bonds (distance) P-C4' energy: -141.067
flat angles C4'-P-C4' energy: -180.256
flat angles P-C4'-P energy: -115.009
tors. eta vs tors. theta energy: -213.900
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: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2308.101372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.101372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.775376 (E_RNA)
where:
Base-Base interactions energy: -1576.428
where: short stacking energy: -662.579
Base-Backbone interact. energy: -1.353
local terms energy: -733.993655
where:
bonds (distance) C4'-P energy: -146.384
bonds (distance) P-C4' energy: -144.188
flat angles C4'-P-C4' energy: -154.496
flat angles P-C4'-P energy: -109.101
tors. eta vs tors. theta energy: -179.825
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: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2207.245236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.245236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.938032 (E_RNA)
where:
Base-Base interactions energy: -1503.474
where: short stacking energy: -629.215
Base-Backbone interact. energy: -2.404
local terms energy: -703.060100
where:
bonds (distance) C4'-P energy: -149.436
bonds (distance) P-C4' energy: -147.903
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -80.886
tors. eta vs tors. theta energy: -163.170
Dist. restrs. and SS energy: 1.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2106.311744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.311744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.574379 (E_RNA)
where:
Base-Base interactions energy: -1439.679
where: short stacking energy: -600.042
Base-Backbone interact. energy: -0.273
local terms energy: -667.621855
where:
bonds (distance) C4'-P energy: -138.558
bonds (distance) P-C4' energy: -147.123
flat angles C4'-P-C4' energy: -147.158
flat angles P-C4'-P energy: -89.916
tors. eta vs tors. theta energy: -144.867
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: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2056.549819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.549819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.256387 (E_RNA)
where:
Base-Base interactions energy: -1372.249
where: short stacking energy: -566.288
Base-Backbone interact. energy: -0.278
local terms energy: -685.728958
where:
bonds (distance) C4'-P energy: -135.006
bonds (distance) P-C4' energy: -145.036
flat angles C4'-P-C4' energy: -158.003
flat angles P-C4'-P energy: -95.195
tors. eta vs tors. theta energy: -152.489
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: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1937.758097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.758097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.803522 (E_RNA)
where:
Base-Base interactions energy: -1311.092
where: short stacking energy: -540.823
Base-Backbone interact. energy: 3.139
local terms energy: -633.850915
where:
bonds (distance) C4'-P energy: -133.333
bonds (distance) P-C4' energy: -143.905
flat angles C4'-P-C4' energy: -132.030
flat angles P-C4'-P energy: -80.217
tors. eta vs tors. theta energy: -144.366
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1900.397858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.397858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.955275 (E_RNA)
where:
Base-Base interactions energy: -1337.218
where: short stacking energy: -589.167
Base-Backbone interact. energy: 5.893
local terms energy: -571.630170
where:
bonds (distance) C4'-P energy: -117.321
bonds (distance) P-C4' energy: -116.429
flat angles C4'-P-C4' energy: -111.797
flat angles P-C4'-P energy: -73.510
tors. eta vs tors. theta energy: -152.574
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2860.616916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.616916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.231012 (E_RNA)
where:
Base-Base interactions energy: -2006.097
where: short stacking energy: -813.004
Base-Backbone interact. energy: -5.436
local terms energy: -850.697864
where:
bonds (distance) C4'-P energy: -160.386
bonds (distance) P-C4' energy: -153.966
flat angles C4'-P-C4' energy: -196.565
flat angles P-C4'-P energy: -98.495
tors. eta vs tors. theta energy: -241.285
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2759.260316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.260316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.039946 (E_RNA)
where:
Base-Base interactions energy: -1922.862
where: short stacking energy: -796.338
Base-Backbone interact. energy: -2.777
local terms energy: -835.400916
where:
bonds (distance) C4'-P energy: -154.181
bonds (distance) P-C4' energy: -160.003
flat angles C4'-P-C4' energy: -176.794
flat angles P-C4'-P energy: -125.185
tors. eta vs tors. theta energy: -219.238
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: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2742.235471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.235471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.372258 (E_RNA)
where:
Base-Base interactions energy: -1881.456
where: short stacking energy: -763.005
Base-Backbone interact. energy: -3.889
local terms energy: -860.027372
where:
bonds (distance) C4'-P energy: -161.533
bonds (distance) P-C4' energy: -166.989
flat angles C4'-P-C4' energy: -169.562
flat angles P-C4'-P energy: -127.648
tors. eta vs tors. theta energy: -234.296
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2495.629665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.629665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.392368 (E_RNA)
where:
Base-Base interactions energy: -1692.354
where: short stacking energy: -729.685
Base-Backbone interact. energy: -4.284
local terms energy: -800.754957
where:
bonds (distance) C4'-P energy: -145.184
bonds (distance) P-C4' energy: -161.186
flat angles C4'-P-C4' energy: -166.822
flat angles P-C4'-P energy: -115.742
tors. eta vs tors. theta energy: -211.821
Dist. restrs. and SS energy: 1.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2334.573088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.573088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.114379 (E_RNA)
where:
Base-Base interactions energy: -1580.454
where: short stacking energy: -700.469
Base-Backbone interact. energy: -1.461
local terms energy: -754.199517
where:
bonds (distance) C4'-P energy: -136.360
bonds (distance) P-C4' energy: -140.569
flat angles C4'-P-C4' energy: -160.991
flat angles P-C4'-P energy: -119.792
tors. eta vs tors. theta energy: -196.488
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2242.390913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.390913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.896096 (E_RNA)
where:
Base-Base interactions energy: -1516.657
where: short stacking energy: -655.378
Base-Backbone interact. energy: 11.785
local terms energy: -740.023991
where:
bonds (distance) C4'-P energy: -123.391
bonds (distance) P-C4' energy: -134.982
flat angles C4'-P-C4' energy: -180.491
flat angles P-C4'-P energy: -116.059
tors. eta vs tors. theta energy: -185.101
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2137.021634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.021634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.256437 (E_RNA)
where:
Base-Base interactions energy: -1448.746
where: short stacking energy: -625.701
Base-Backbone interact. energy: -1.749
local terms energy: -688.761200
where:
bonds (distance) C4'-P energy: -126.823
bonds (distance) P-C4' energy: -130.162
flat angles C4'-P-C4' energy: -164.912
flat angles P-C4'-P energy: -94.915
tors. eta vs tors. theta energy: -171.949
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: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1997.669104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.669104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.721422 (E_RNA)
where:
Base-Base interactions energy: -1377.851
where: short stacking energy: -564.450
Base-Backbone interact. energy: -0.302
local terms energy: -621.568640
where:
bonds (distance) C4'-P energy: -114.014
bonds (distance) P-C4' energy: -146.867
flat angles C4'-P-C4' energy: -136.735
flat angles P-C4'-P energy: -88.741
tors. eta vs tors. theta energy: -135.212
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1946.259185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.259185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.753026 (E_RNA)
where:
Base-Base interactions energy: -1306.284
where: short stacking energy: -563.681
Base-Backbone interact. energy: 10.393
local terms energy: -653.861474
where:
bonds (distance) C4'-P energy: -111.734
bonds (distance) P-C4' energy: -151.989
flat angles C4'-P-C4' energy: -152.892
flat angles P-C4'-P energy: -93.109
tors. eta vs tors. theta energy: -144.137
Dist. restrs. and SS energy: 3.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1875.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.459440 (E_RNA)
where:
Base-Base interactions energy: -1263.164
where: short stacking energy: -521.695
Base-Backbone interact. energy: 0.176
local terms energy: -615.470997
where:
bonds (distance) C4'-P energy: -134.850
bonds (distance) P-C4' energy: -121.965
flat angles C4'-P-C4' energy: -130.211
flat angles P-C4'-P energy: -77.948
tors. eta vs tors. theta energy: -150.497
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2877.554699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.554699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.928793 (E_RNA)
where:
Base-Base interactions energy: -2013.326
where: short stacking energy: -829.198
Base-Backbone interact. energy: -4.311
local terms energy: -861.290927
where:
bonds (distance) C4'-P energy: -150.150
bonds (distance) P-C4' energy: -170.574
flat angles C4'-P-C4' energy: -186.038
flat angles P-C4'-P energy: -128.054
tors. eta vs tors. theta energy: -226.475
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2780.604303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.604303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.072972 (E_RNA)
where:
Base-Base interactions energy: -1929.507
where: short stacking energy: -784.700
Base-Backbone interact. energy: -2.152
local terms energy: -850.414793
where:
bonds (distance) C4'-P energy: -158.946
bonds (distance) P-C4' energy: -162.292
flat angles C4'-P-C4' energy: -183.381
flat angles P-C4'-P energy: -115.893
tors. eta vs tors. theta energy: -229.902
Dist. restrs. and SS energy: 1.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2726.764009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.764009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.702289 (E_RNA)
where:
Base-Base interactions energy: -1890.801
where: short stacking energy: -809.505
Base-Backbone interact. energy: -1.866
local terms energy: -836.036237
where:
bonds (distance) C4'-P energy: -148.142
bonds (distance) P-C4' energy: -149.645
flat angles C4'-P-C4' energy: -181.970
flat angles P-C4'-P energy: -127.068
tors. eta vs tors. theta energy: -229.211
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: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2437.380670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.380670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.852385 (E_RNA)
where:
Base-Base interactions energy: -1637.297
where: short stacking energy: -708.362
Base-Backbone interact. energy: -3.086
local terms energy: -798.469740
where:
bonds (distance) C4'-P energy: -143.982
bonds (distance) P-C4' energy: -157.551
flat angles C4'-P-C4' energy: -167.957
flat angles P-C4'-P energy: -120.727
tors. eta vs tors. theta energy: -208.252
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2333.007092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.007092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.315725 (E_RNA)
where:
Base-Base interactions energy: -1613.504
where: short stacking energy: -668.382
Base-Backbone interact. energy: 0.581
local terms energy: -723.392945
where:
bonds (distance) C4'-P energy: -123.821
bonds (distance) P-C4' energy: -141.537
flat angles C4'-P-C4' energy: -153.563
flat angles P-C4'-P energy: -106.628
tors. eta vs tors. theta energy: -197.844
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: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2194.852964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.852964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.010556 (E_RNA)
where:
Base-Base interactions energy: -1464.683
where: short stacking energy: -642.657
Base-Backbone interact. energy: -0.160
local terms energy: -732.168008
where:
bonds (distance) C4'-P energy: -148.574
bonds (distance) P-C4' energy: -155.660
flat angles C4'-P-C4' energy: -161.412
flat angles P-C4'-P energy: -93.431
tors. eta vs tors. theta energy: -173.092
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: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -2105.741920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.741920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.518030 (E_RNA)
where:
Base-Base interactions energy: -1435.026
where: short stacking energy: -623.888
Base-Backbone interact. energy: 5.666
local terms energy: -679.157882
where:
bonds (distance) C4'-P energy: -130.980
bonds (distance) P-C4' energy: -111.538
flat angles C4'-P-C4' energy: -166.399
flat angles P-C4'-P energy: -96.689
tors. eta vs tors. theta energy: -173.552
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: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2056.060936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.060936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.990556 (E_RNA)
where:
Base-Base interactions energy: -1382.131
where: short stacking energy: -597.547
Base-Backbone interact. energy: -1.816
local terms energy: -674.044515
where:
bonds (distance) C4'-P energy: -145.441
bonds (distance) P-C4' energy: -139.256
flat angles C4'-P-C4' energy: -148.838
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -151.428
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: 9, replica: 4
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1911.976506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.976506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.466238 (E_RNA)
where:
Base-Base interactions energy: -1275.403
where: short stacking energy: -531.690
Base-Backbone interact. energy: 3.690
local terms energy: -643.753521
where:
bonds (distance) C4'-P energy: -144.972
bonds (distance) P-C4' energy: -151.324
flat angles C4'-P-C4' energy: -130.306
flat angles P-C4'-P energy: -79.787
tors. eta vs tors. theta energy: -137.365
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: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1837.817616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.817616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.443314 (E_RNA)
where:
Base-Base interactions energy: -1272.133
where: short stacking energy: -543.993
Base-Backbone interact. energy: -2.242
local terms energy: -567.067928
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -125.882
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -126.695
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2871.268758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.268758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.316243 (E_RNA)
where:
Base-Base interactions energy: -2004.211
where: short stacking energy: -824.280
Base-Backbone interact. energy: -4.581
local terms energy: -863.524242
where:
bonds (distance) C4'-P energy: -169.281
bonds (distance) P-C4' energy: -141.421
flat angles C4'-P-C4' energy: -190.444
flat angles P-C4'-P energy: -129.681
tors. eta vs tors. theta energy: -232.699
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: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2767.915784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.915784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.989613 (E_RNA)
where:
Base-Base interactions energy: -1906.742
where: short stacking energy: -803.428
Base-Backbone interact. energy: -4.978
local terms energy: -857.269609
where:
bonds (distance) C4'-P energy: -162.747
bonds (distance) P-C4' energy: -158.660
flat angles C4'-P-C4' energy: -175.841
flat angles P-C4'-P energy: -125.282
tors. eta vs tors. theta energy: -234.739
Dist. restrs. and SS energy: 1.074 (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: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2699.576409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.576409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.712646 (E_RNA)
where:
Base-Base interactions energy: -1895.507
where: short stacking energy: -785.515
Base-Backbone interact. energy: -4.094
local terms energy: -802.112023
where:
bonds (distance) C4'-P energy: -150.306
bonds (distance) P-C4' energy: -154.603
flat angles C4'-P-C4' energy: -165.814
flat angles P-C4'-P energy: -103.847
tors. eta vs tors. theta energy: -227.543
Dist. restrs. and SS energy: 2.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2489.368686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.368686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.717961 (E_RNA)
where:
Base-Base interactions energy: -1680.552
where: short stacking energy: -748.574
Base-Backbone interact. energy: 0.858
local terms energy: -812.023971
where:
bonds (distance) C4'-P energy: -147.388
bonds (distance) P-C4' energy: -157.463
flat angles C4'-P-C4' energy: -177.952
flat angles P-C4'-P energy: -112.555
tors. eta vs tors. theta energy: -216.666
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2366.959334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.959334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.386065 (E_RNA)
where:
Base-Base interactions energy: -1584.442
where: short stacking energy: -679.377
Base-Backbone interact. energy: -2.192
local terms energy: -782.752647
where:
bonds (distance) C4'-P energy: -147.852
bonds (distance) P-C4' energy: -143.926
flat angles C4'-P-C4' energy: -174.607
flat angles P-C4'-P energy: -110.534
tors. eta vs tors. theta energy: -205.834
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: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2181.438717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.438717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.594660 (E_RNA)
where:
Base-Base interactions energy: -1469.736
where: short stacking energy: -613.786
Base-Backbone interact. energy: 4.991
local terms energy: -719.849550
where:
bonds (distance) C4'-P energy: -137.609
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -150.308
flat angles P-C4'-P energy: -105.085
tors. eta vs tors. theta energy: -175.310
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: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -2080.090357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.090357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.698180 (E_RNA)
where:
Base-Base interactions energy: -1406.719
where: short stacking energy: -615.861
Base-Backbone interact. energy: -0.661
local terms energy: -676.317879
where:
bonds (distance) C4'-P energy: -124.871
bonds (distance) P-C4' energy: -125.303
flat angles C4'-P-C4' energy: -153.438
flat angles P-C4'-P energy: -112.932
tors. eta vs tors. theta energy: -159.774
Dist. restrs. and SS energy: 3.608 (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: 229
Temperature: 1.250000
Total energy: -2010.887322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.887322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.593815 (E_RNA)
where:
Base-Base interactions energy: -1374.616
where: short stacking energy: -586.774
Base-Backbone interact. energy: 0.701
local terms energy: -640.679098
where:
bonds (distance) C4'-P energy: -121.542
bonds (distance) P-C4' energy: -119.126
flat angles C4'-P-C4' energy: -157.888
flat angles P-C4'-P energy: -87.820
tors. eta vs tors. theta energy: -154.303
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1945.741935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.741935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.772033 (E_RNA)
where:
Base-Base interactions energy: -1330.868
where: short stacking energy: -575.209
Base-Backbone interact. energy: -1.985
local terms energy: -615.919129
where:
bonds (distance) C4'-P energy: -138.043
bonds (distance) P-C4' energy: -141.076
flat angles C4'-P-C4' energy: -135.300
flat angles P-C4'-P energy: -72.002
tors. eta vs tors. theta energy: -129.498
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1894.444972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.444972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.710650 (E_RNA)
where:
Base-Base interactions energy: -1267.365
where: short stacking energy: -502.195
Base-Backbone interact. energy: -4.406
local terms energy: -625.940179
where:
bonds (distance) C4'-P energy: -126.704
bonds (distance) P-C4' energy: -149.742
flat angles C4'-P-C4' energy: -125.462
flat angles P-C4'-P energy: -86.740
tors. eta vs tors. theta energy: -137.293
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: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2868.215324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.215324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.946534 (E_RNA)
where:
Base-Base interactions energy: -1994.384
where: short stacking energy: -807.872
Base-Backbone interact. energy: -3.920
local terms energy: -871.643089
where:
bonds (distance) C4'-P energy: -154.823
bonds (distance) P-C4' energy: -159.831
flat angles C4'-P-C4' energy: -186.979
flat angles P-C4'-P energy: -132.920
tors. eta vs tors. theta energy: -237.091
Dist. restrs. and SS energy: 1.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2807.554170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.554170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.551906 (E_RNA)
where:
Base-Base interactions energy: -1946.865
where: short stacking energy: -836.034
Base-Backbone interact. energy: 1.523
local terms energy: -863.209904
where:
bonds (distance) C4'-P energy: -156.639
bonds (distance) P-C4' energy: -165.378
flat angles C4'-P-C4' energy: -177.359
flat angles P-C4'-P energy: -119.889
tors. eta vs tors. theta energy: -243.944
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2673.417455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.417455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.923147 (E_RNA)
where:
Base-Base interactions energy: -1853.209
where: short stacking energy: -765.651
Base-Backbone interact. energy: -0.633
local terms energy: -821.080858
where:
bonds (distance) C4'-P energy: -146.793
bonds (distance) P-C4' energy: -159.495
flat angles C4'-P-C4' energy: -163.790
flat angles P-C4'-P energy: -125.353
tors. eta vs tors. theta energy: -225.650
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2462.083931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.083931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.216511 (E_RNA)
where:
Base-Base interactions energy: -1664.651
where: short stacking energy: -716.750
Base-Backbone interact. energy: -1.842
local terms energy: -797.724283
where:
bonds (distance) C4'-P energy: -141.353
bonds (distance) P-C4' energy: -147.608
flat angles C4'-P-C4' energy: -174.196
flat angles P-C4'-P energy: -123.317
tors. eta vs tors. theta energy: -211.250
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2366.295035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.295035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.906679 (E_RNA)
where:
Base-Base interactions energy: -1644.712
where: short stacking energy: -702.010
Base-Backbone interact. energy: -1.947
local terms energy: -722.248400
where:
bonds (distance) C4'-P energy: -140.947
bonds (distance) P-C4' energy: -128.767
flat angles C4'-P-C4' energy: -161.154
flat angles P-C4'-P energy: -104.070
tors. eta vs tors. theta energy: -187.310
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2186.972682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.972682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.643076 (E_RNA)
where:
Base-Base interactions energy: -1475.784
where: short stacking energy: -620.003
Base-Backbone interact. energy: -5.661
local terms energy: -707.198177
where:
bonds (distance) C4'-P energy: -131.053
bonds (distance) P-C4' energy: -147.089
flat angles C4'-P-C4' energy: -162.150
flat angles P-C4'-P energy: -106.243
tors. eta vs tors. theta energy: -160.663
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: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2100.126302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.126302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.103248 (E_RNA)
where:
Base-Base interactions energy: -1442.670
where: short stacking energy: -621.158
Base-Backbone interact. energy: -1.795
local terms energy: -658.638118
where:
bonds (distance) C4'-P energy: -136.499
bonds (distance) P-C4' energy: -124.329
flat angles C4'-P-C4' energy: -140.153
flat angles P-C4'-P energy: -108.183
tors. eta vs tors. theta energy: -149.473
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: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2032.474195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.474195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.074190 (E_RNA)
where:
Base-Base interactions energy: -1364.004
where: short stacking energy: -569.189
Base-Backbone interact. energy: 1.741
local terms energy: -671.811499
where:
bonds (distance) C4'-P energy: -143.198
bonds (distance) P-C4' energy: -136.542
flat angles C4'-P-C4' energy: -142.234
flat angles P-C4'-P energy: -83.833
tors. eta vs tors. theta energy: -166.004
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1932.197969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.197969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.875537 (E_RNA)
where:
Base-Base interactions energy: -1293.916
where: short stacking energy: -519.377
Base-Backbone interact. energy: -3.371
local terms energy: -640.588277
where:
bonds (distance) C4'-P energy: -128.456
bonds (distance) P-C4' energy: -134.326
flat angles C4'-P-C4' energy: -139.852
flat angles P-C4'-P energy: -86.054
tors. eta vs tors. theta energy: -151.900
Dist. restrs. and SS energy: 5.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1862.716436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.716436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.519084 (E_RNA)
where:
Base-Base interactions energy: -1248.569
where: short stacking energy: -502.830
Base-Backbone interact. energy: -4.250
local terms energy: -615.699553
where:
bonds (distance) C4'-P energy: -132.628
bonds (distance) P-C4' energy: -114.217
flat angles C4'-P-C4' energy: -154.538
flat angles P-C4'-P energy: -83.454
tors. eta vs tors. theta energy: -130.863
Dist. restrs. and SS energy: 5.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2898.205543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.205543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.969892 (E_RNA)
where:
Base-Base interactions energy: -2021.114
where: short stacking energy: -813.877
Base-Backbone interact. energy: -2.680
local terms energy: -876.175471
where:
bonds (distance) C4'-P energy: -159.722
bonds (distance) P-C4' energy: -167.469
flat angles C4'-P-C4' energy: -195.797
flat angles P-C4'-P energy: -123.676
tors. eta vs tors. theta energy: -229.511
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2741.749345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.749345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.324621 (E_RNA)
where:
Base-Base interactions energy: -1868.285
where: short stacking energy: -806.734
Base-Backbone interact. energy: -6.740
local terms energy: -868.299854
where:
bonds (distance) C4'-P energy: -163.270
bonds (distance) P-C4' energy: -165.039
flat angles C4'-P-C4' energy: -182.443
flat angles P-C4'-P energy: -110.948
tors. eta vs tors. theta energy: -246.600
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: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2682.997252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.997252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.860177 (E_RNA)
where:
Base-Base interactions energy: -1857.732
where: short stacking energy: -771.274
Base-Backbone interact. energy: -6.689
local terms energy: -820.439863
where:
bonds (distance) C4'-P energy: -146.620
bonds (distance) P-C4' energy: -171.788
flat angles C4'-P-C4' energy: -176.387
flat angles P-C4'-P energy: -109.925
tors. eta vs tors. theta energy: -215.720
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2466.961640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.961640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.211647 (E_RNA)
where:
Base-Base interactions energy: -1699.182
where: short stacking energy: -730.880
Base-Backbone interact. energy: -0.071
local terms energy: -768.958147
where:
bonds (distance) C4'-P energy: -147.312
bonds (distance) P-C4' energy: -125.997
flat angles C4'-P-C4' energy: -166.515
flat angles P-C4'-P energy: -125.197
tors. eta vs tors. theta energy: -203.938
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2321.588482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.588482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.520348 (E_RNA)
where:
Base-Base interactions energy: -1551.176
where: short stacking energy: -666.764
Base-Backbone interact. energy: -2.460
local terms energy: -769.884785
where:
bonds (distance) C4'-P energy: -152.996
bonds (distance) P-C4' energy: -150.889
flat angles C4'-P-C4' energy: -167.345
flat angles P-C4'-P energy: -105.024
tors. eta vs tors. theta energy: -193.631
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: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2151.519763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.519763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.440620 (E_RNA)
where:
Base-Base interactions energy: -1419.673
where: short stacking energy: -621.470
Base-Backbone interact. energy: 2.956
local terms energy: -737.724247
where:
bonds (distance) C4'-P energy: -153.596
bonds (distance) P-C4' energy: -137.556
flat angles C4'-P-C4' energy: -157.130
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -186.197
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: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2133.333035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.333035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.212033 (E_RNA)
where:
Base-Base interactions energy: -1457.960
where: short stacking energy: -605.886
Base-Backbone interact. energy: 2.492
local terms energy: -678.744612
where:
bonds (distance) C4'-P energy: -147.768
bonds (distance) P-C4' energy: -139.730
flat angles C4'-P-C4' energy: -132.357
flat angles P-C4'-P energy: -103.951
tors. eta vs tors. theta energy: -154.939
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: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2047.311506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.311506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.320480 (E_RNA)
where:
Base-Base interactions energy: -1399.812
where: short stacking energy: -580.579
Base-Backbone interact. energy: -4.966
local terms energy: -644.542487
where:
bonds (distance) C4'-P energy: -139.642
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -140.076
flat angles P-C4'-P energy: -94.542
tors. eta vs tors. theta energy: -133.291
Dist. restrs. and SS energy: 2.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1862.062576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.062576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.957360 (E_RNA)
where:
Base-Base interactions energy: -1266.429
where: short stacking energy: -510.948
Base-Backbone interact. energy: 1.500
local terms energy: -600.028176
where:
bonds (distance) C4'-P energy: -128.766
bonds (distance) P-C4' energy: -133.373
flat angles C4'-P-C4' energy: -125.987
flat angles P-C4'-P energy: -81.122
tors. eta vs tors. theta energy: -130.779
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: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1848.379991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.379991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.913019 (E_RNA)
where:
Base-Base interactions energy: -1250.466
where: short stacking energy: -518.262
Base-Backbone interact. energy: 2.439
local terms energy: -604.886965
where:
bonds (distance) C4'-P energy: -130.347
bonds (distance) P-C4' energy: -125.369
flat angles C4'-P-C4' energy: -146.726
flat angles P-C4'-P energy: -73.097
tors. eta vs tors. theta energy: -129.348
Dist. restrs. and SS energy: 4.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2866.744802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.744802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.215411 (E_RNA)
where:
Base-Base interactions energy: -2003.407
where: short stacking energy: -830.609
Base-Backbone interact. energy: -4.175
local terms energy: -860.633746
where:
bonds (distance) C4'-P energy: -149.602
bonds (distance) P-C4' energy: -172.630
flat angles C4'-P-C4' energy: -188.037
flat angles P-C4'-P energy: -113.815
tors. eta vs tors. theta energy: -236.548
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2793.984598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.984598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.535925 (E_RNA)
where:
Base-Base interactions energy: -1952.445
where: short stacking energy: -821.320
Base-Backbone interact. energy: 2.431
local terms energy: -845.522221
where:
bonds (distance) C4'-P energy: -159.882
bonds (distance) P-C4' energy: -149.708
flat angles C4'-P-C4' energy: -191.393
flat angles P-C4'-P energy: -111.906
tors. eta vs tors. theta energy: -232.632
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2684.466687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.466687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.226738 (E_RNA)
where:
Base-Base interactions energy: -1860.852
where: short stacking energy: -791.144
Base-Backbone interact. energy: -4.778
local terms energy: -820.596883
where:
bonds (distance) C4'-P energy: -141.405
bonds (distance) P-C4' energy: -148.532
flat angles C4'-P-C4' energy: -176.984
flat angles P-C4'-P energy: -121.850
tors. eta vs tors. theta energy: -231.825
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: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2475.575565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.575565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.101065 (E_RNA)
where:
Base-Base interactions energy: -1670.063
where: short stacking energy: -724.602
Base-Backbone interact. energy: 2.376
local terms energy: -809.414354
where:
bonds (distance) C4'-P energy: -143.029
bonds (distance) P-C4' energy: -148.791
flat angles C4'-P-C4' energy: -178.981
flat angles P-C4'-P energy: -125.881
tors. eta vs tors. theta energy: -212.733
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: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2342.105516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.105516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.407375 (E_RNA)
where:
Base-Base interactions energy: -1596.380
where: short stacking energy: -694.612
Base-Backbone interact. energy: -2.596
local terms energy: -744.431349
where:
bonds (distance) C4'-P energy: -137.649
bonds (distance) P-C4' energy: -142.779
flat angles C4'-P-C4' energy: -155.069
flat angles P-C4'-P energy: -111.404
tors. eta vs tors. theta energy: -197.530
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: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2156.080925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.080925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.416803 (E_RNA)
where:
Base-Base interactions energy: -1433.992
where: short stacking energy: -631.180
Base-Backbone interact. energy: -1.296
local terms energy: -723.129168
where:
bonds (distance) C4'-P energy: -136.311
bonds (distance) P-C4' energy: -157.638
flat angles C4'-P-C4' energy: -156.399
flat angles P-C4'-P energy: -104.782
tors. eta vs tors. theta energy: -167.998
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2100.893772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.118775 (E_RNA)
where:
Base-Base interactions energy: -1429.912
where: short stacking energy: -596.355
Base-Backbone interact. energy: 6.543
local terms energy: -678.749034
where:
bonds (distance) C4'-P energy: -146.263
bonds (distance) P-C4' energy: -139.752
flat angles C4'-P-C4' energy: -136.956
flat angles P-C4'-P energy: -97.792
tors. eta vs tors. theta energy: -157.987
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2001.728648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.728648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.435185 (E_RNA)
where:
Base-Base interactions energy: -1370.777
where: short stacking energy: -598.437
Base-Backbone interact. energy: -6.789
local terms energy: -626.868492
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -124.659
flat angles C4'-P-C4' energy: -144.334
flat angles P-C4'-P energy: -84.090
tors. eta vs tors. theta energy: -161.017
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: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1939.246398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.246398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.364420 (E_RNA)
where:
Base-Base interactions energy: -1299.964
where: short stacking energy: -514.189
Base-Backbone interact. energy: 8.373
local terms energy: -649.772570
where:
bonds (distance) C4'-P energy: -136.503
bonds (distance) P-C4' energy: -153.018
flat angles C4'-P-C4' energy: -145.723
flat angles P-C4'-P energy: -77.725
tors. eta vs tors. theta energy: -136.804
Dist. restrs. and SS energy: 2.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1855.070566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.070566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.138737 (E_RNA)
where:
Base-Base interactions energy: -1249.697
where: short stacking energy: -518.025
Base-Backbone interact. energy: -0.954
local terms energy: -607.488256
where:
bonds (distance) C4'-P energy: -147.079
bonds (distance) P-C4' energy: -109.828
flat angles C4'-P-C4' energy: -139.717
flat angles P-C4'-P energy: -83.332
tors. eta vs tors. theta energy: -127.533
Dist. restrs. and SS energy: 3.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2861.933041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.933041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.503592 (E_RNA)
where:
Base-Base interactions energy: -1984.685
where: short stacking energy: -809.134
Base-Backbone interact. energy: -3.015
local terms energy: -875.803707
where:
bonds (distance) C4'-P energy: -144.655
bonds (distance) P-C4' energy: -180.611
flat angles C4'-P-C4' energy: -178.680
flat angles P-C4'-P energy: -129.864
tors. eta vs tors. theta energy: -241.994
Dist. restrs. and SS energy: 1.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2808.534635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.534635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.853657 (E_RNA)
where:
Base-Base interactions energy: -1948.344
where: short stacking energy: -819.161
Base-Backbone interact. energy: -4.550
local terms energy: -856.959803
where:
bonds (distance) C4'-P energy: -155.334
bonds (distance) P-C4' energy: -156.839
flat angles C4'-P-C4' energy: -177.089
flat angles P-C4'-P energy: -125.060
tors. eta vs tors. theta energy: -242.638
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2685.245819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.245819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.941392 (E_RNA)
where:
Base-Base interactions energy: -1867.207
where: short stacking energy: -775.941
Base-Backbone interact. energy: -2.727
local terms energy: -817.008205
where:
bonds (distance) C4'-P energy: -158.309
bonds (distance) P-C4' energy: -142.204
flat angles C4'-P-C4' energy: -173.503
flat angles P-C4'-P energy: -115.115
tors. eta vs tors. theta energy: -227.877
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: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2414.479586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.479586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.849464 (E_RNA)
where:
Base-Base interactions energy: -1625.458
where: short stacking energy: -699.109
Base-Backbone interact. energy: -1.292
local terms energy: -790.098816
where:
bonds (distance) C4'-P energy: -160.356
bonds (distance) P-C4' energy: -158.471
flat angles C4'-P-C4' energy: -166.463
flat angles P-C4'-P energy: -108.938
tors. eta vs tors. theta energy: -195.870
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: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2368.516696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.516696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.779604 (E_RNA)
where:
Base-Base interactions energy: -1625.249
where: short stacking energy: -732.376
Base-Backbone interact. energy: 3.610
local terms energy: -748.141065
where:
bonds (distance) C4'-P energy: -134.226
bonds (distance) P-C4' energy: -124.625
flat angles C4'-P-C4' energy: -173.781
flat angles P-C4'-P energy: -100.855
tors. eta vs tors. theta energy: -214.655
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: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2174.796267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.796267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.343691 (E_RNA)
where:
Base-Base interactions energy: -1468.718
where: short stacking energy: -660.591
Base-Backbone interact. energy: 2.287
local terms energy: -710.912589
where:
bonds (distance) C4'-P energy: -120.846
bonds (distance) P-C4' energy: -129.819
flat angles C4'-P-C4' energy: -162.720
flat angles P-C4'-P energy: -108.754
tors. eta vs tors. theta energy: -188.774
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2109.669763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.669763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.873059 (E_RNA)
where:
Base-Base interactions energy: -1405.584
where: short stacking energy: -572.218
Base-Backbone interact. energy: -0.556
local terms energy: -705.733354
where:
bonds (distance) C4'-P energy: -147.456
bonds (distance) P-C4' energy: -149.982
flat angles C4'-P-C4' energy: -155.123
flat angles P-C4'-P energy: -91.928
tors. eta vs tors. theta energy: -161.245
Dist. restrs. and SS energy: 2.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2027.819427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.819427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.298704 (E_RNA)
where:
Base-Base interactions energy: -1364.272
where: short stacking energy: -582.374
Base-Backbone interact. energy: 0.731
local terms energy: -665.758320
where:
bonds (distance) C4'-P energy: -134.281
bonds (distance) P-C4' energy: -142.963
flat angles C4'-P-C4' energy: -146.187
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -150.460
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: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1899.668521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.668521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.517963 (E_RNA)
where:
Base-Base interactions energy: -1317.005
where: short stacking energy: -570.264
Base-Backbone interact. energy: 0.379
local terms energy: -585.892386
where:
bonds (distance) C4'-P energy: -117.313
bonds (distance) P-C4' energy: -125.879
flat angles C4'-P-C4' energy: -123.767
flat angles P-C4'-P energy: -80.988
tors. eta vs tors. theta energy: -137.946
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1841.183000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.183000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.859980 (E_RNA)
where:
Base-Base interactions energy: -1224.615
where: short stacking energy: -511.121
Base-Backbone interact. energy: 1.538
local terms energy: -621.782997
where:
bonds (distance) C4'-P energy: -138.393
bonds (distance) P-C4' energy: -137.573
flat angles C4'-P-C4' energy: -139.237
flat angles P-C4'-P energy: -97.561
tors. eta vs tors. theta energy: -109.018
Dist. restrs. and SS energy: 3.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2909.584554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.584554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.448654 (E_RNA)
where:
Base-Base interactions energy: -2027.813
where: short stacking energy: -870.214
Base-Backbone interact. energy: -1.523
local terms energy: -883.112078
where:
bonds (distance) C4'-P energy: -164.156
bonds (distance) P-C4' energy: -162.332
flat angles C4'-P-C4' energy: -178.963
flat angles P-C4'-P energy: -126.862
tors. eta vs tors. theta energy: -250.799
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2820.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.820677 (E_RNA)
where:
Base-Base interactions energy: -1962.759
where: short stacking energy: -811.375
Base-Backbone interact. energy: -3.916
local terms energy: -856.145537
where:
bonds (distance) C4'-P energy: -160.823
bonds (distance) P-C4' energy: -157.877
flat angles C4'-P-C4' energy: -179.456
flat angles P-C4'-P energy: -114.713
tors. eta vs tors. theta energy: -243.276
Dist. restrs. and SS energy: 2.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2683.742145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.943845 (E_RNA)
where:
Base-Base interactions energy: -1852.379
where: short stacking energy: -792.847
Base-Backbone interact. energy: -2.190
local terms energy: -830.374714
where:
bonds (distance) C4'-P energy: -142.822
bonds (distance) P-C4' energy: -150.378
flat angles C4'-P-C4' energy: -183.729
flat angles P-C4'-P energy: -133.936
tors. eta vs tors. theta energy: -219.510
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2436.547158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.547158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.567470 (E_RNA)
where:
Base-Base interactions energy: -1667.105
where: short stacking energy: -725.898
Base-Backbone interact. energy: -1.140
local terms energy: -769.322911
where:
bonds (distance) C4'-P energy: -138.924
bonds (distance) P-C4' energy: -149.102
flat angles C4'-P-C4' energy: -171.815
flat angles P-C4'-P energy: -109.132
tors. eta vs tors. theta energy: -200.350
Dist. restrs. and SS energy: 1.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2327.244711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.244711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.774957 (E_RNA)
where:
Base-Base interactions energy: -1550.666
where: short stacking energy: -673.363
Base-Backbone interact. energy: -2.482
local terms energy: -776.626420
where:
bonds (distance) C4'-P energy: -127.251
bonds (distance) P-C4' energy: -171.085
flat angles C4'-P-C4' energy: -174.444
flat angles P-C4'-P energy: -98.514
tors. eta vs tors. theta energy: -205.332
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: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2146.362389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.362389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.494566 (E_RNA)
where:
Base-Base interactions energy: -1407.811
where: short stacking energy: -621.726
Base-Backbone interact. energy: -2.506
local terms energy: -738.178309
where:
bonds (distance) C4'-P energy: -150.321
bonds (distance) P-C4' energy: -142.512
flat angles C4'-P-C4' energy: -164.078
flat angles P-C4'-P energy: -95.048
tors. eta vs tors. theta energy: -186.219
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: 234
Temperature: 1.200000
Total energy: -2078.256118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.256118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.181204 (E_RNA)
where:
Base-Base interactions energy: -1382.528
where: short stacking energy: -615.837
Base-Backbone interact. energy: -1.609
local terms energy: -698.043724
where:
bonds (distance) C4'-P energy: -128.042
bonds (distance) P-C4' energy: -156.506
flat angles C4'-P-C4' energy: -153.816
flat angles P-C4'-P energy: -96.429
tors. eta vs tors. theta energy: -163.250
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2019.562085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.562085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.247961 (E_RNA)
where:
Base-Base interactions energy: -1371.727
where: short stacking energy: -598.557
Base-Backbone interact. energy: 1.902
local terms energy: -651.422676
where:
bonds (distance) C4'-P energy: -144.969
bonds (distance) P-C4' energy: -133.409
flat angles C4'-P-C4' energy: -145.546
flat angles P-C4'-P energy: -77.768
tors. eta vs tors. theta energy: -149.731
Dist. restrs. and SS energy: 1.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1928.817228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.817228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.786503 (E_RNA)
where:
Base-Base interactions energy: -1330.825
where: short stacking energy: -559.680
Base-Backbone interact. energy: -1.359
local terms energy: -600.602546
where:
bonds (distance) C4'-P energy: -113.699
bonds (distance) P-C4' energy: -111.242
flat angles C4'-P-C4' energy: -152.384
flat angles P-C4'-P energy: -82.948
tors. eta vs tors. theta energy: -140.330
Dist. restrs. and SS energy: 3.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1843.271747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.271747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.034173 (E_RNA)
where:
Base-Base interactions energy: -1257.049
where: short stacking energy: -521.734
Base-Backbone interact. energy: 4.167
local terms energy: -595.152543
where:
bonds (distance) C4'-P energy: -132.476
bonds (distance) P-C4' energy: -123.748
flat angles C4'-P-C4' energy: -128.137
flat angles P-C4'-P energy: -75.791
tors. eta vs tors. theta energy: -135.000
Dist. restrs. and SS energy: 4.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2905.706858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.706858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.315796 (E_RNA)
where:
Base-Base interactions energy: -1993.350
where: short stacking energy: -822.293
Base-Backbone interact. energy: -3.410
local terms energy: -911.556015
where:
bonds (distance) C4'-P energy: -163.856
bonds (distance) P-C4' energy: -168.210
flat angles C4'-P-C4' energy: -194.816
flat angles P-C4'-P energy: -141.808
tors. eta vs tors. theta energy: -242.866
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2800.425884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.425884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.569438 (E_RNA)
where:
Base-Base interactions energy: -1957.194
where: short stacking energy: -807.076
Base-Backbone interact. energy: -3.315
local terms energy: -841.060733
where:
bonds (distance) C4'-P energy: -164.300
bonds (distance) P-C4' energy: -149.690
flat angles C4'-P-C4' energy: -176.830
flat angles P-C4'-P energy: -129.684
tors. eta vs tors. theta energy: -220.557
Dist. restrs. and SS energy: 1.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2710.214910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.214910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.914992 (E_RNA)
where:
Base-Base interactions energy: -1875.782
where: short stacking energy: -756.488
Base-Backbone interact. energy: -5.280
local terms energy: -831.852736
where:
bonds (distance) C4'-P energy: -160.365
bonds (distance) P-C4' energy: -146.291
flat angles C4'-P-C4' energy: -180.280
flat angles P-C4'-P energy: -117.794
tors. eta vs tors. theta energy: -227.122
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: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2408.673954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.673954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.053328 (E_RNA)
where:
Base-Base interactions energy: -1627.804
where: short stacking energy: -691.051
Base-Backbone interact. energy: 1.526
local terms energy: -783.774920
where:
bonds (distance) C4'-P energy: -157.533
bonds (distance) P-C4' energy: -160.703
flat angles C4'-P-C4' energy: -151.274
flat angles P-C4'-P energy: -114.568
tors. eta vs tors. theta energy: -199.697
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: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2324.476938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.476938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.663347 (E_RNA)
where:
Base-Base interactions energy: -1552.956
where: short stacking energy: -659.854
Base-Backbone interact. energy: -3.760
local terms energy: -768.947599
where:
bonds (distance) C4'-P energy: -139.081
bonds (distance) P-C4' energy: -158.944
flat angles C4'-P-C4' energy: -165.413
flat angles P-C4'-P energy: -107.928
tors. eta vs tors. theta energy: -197.582
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2162.014571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.014571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.809396 (E_RNA)
where:
Base-Base interactions energy: -1485.994
where: short stacking energy: -656.770
Base-Backbone interact. energy: -4.218
local terms energy: -673.596816
where:
bonds (distance) C4'-P energy: -111.545
bonds (distance) P-C4' energy: -136.085
flat angles C4'-P-C4' energy: -160.642
flat angles P-C4'-P energy: -93.716
tors. eta vs tors. theta energy: -171.609
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: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2082.583994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.583994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.424081 (E_RNA)
where:
Base-Base interactions energy: -1422.742
where: short stacking energy: -604.274
Base-Backbone interact. energy: -3.083
local terms energy: -659.598921
where:
bonds (distance) C4'-P energy: -149.575
bonds (distance) P-C4' energy: -140.032
flat angles C4'-P-C4' energy: -132.176
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -154.618
Dist. restrs. and SS energy: 2.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1987.377367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.377367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.778149 (E_RNA)
where:
Base-Base interactions energy: -1363.945
where: short stacking energy: -573.305
Base-Backbone interact. energy: -2.266
local terms energy: -624.566433
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -139.713
flat angles C4'-P-C4' energy: -147.168
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -128.865
Dist. restrs. and SS energy: 3.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1911.177470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.177470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.071593 (E_RNA)
where:
Base-Base interactions energy: -1280.510
where: short stacking energy: -544.065
Base-Backbone interact. energy: 2.763
local terms energy: -637.325054
where:
bonds (distance) C4'-P energy: -124.497
bonds (distance) P-C4' energy: -133.105
flat angles C4'-P-C4' energy: -152.023
flat angles P-C4'-P energy: -89.292
tors. eta vs tors. theta energy: -138.408
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1857.960153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.960153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.240448 (E_RNA)
where:
Base-Base interactions energy: -1225.626
where: short stacking energy: -521.564
Base-Backbone interact. energy: 2.251
local terms energy: -639.865150
where:
bonds (distance) C4'-P energy: -122.588
bonds (distance) P-C4' energy: -134.463
flat angles C4'-P-C4' energy: -154.585
flat angles P-C4'-P energy: -84.153
tors. eta vs tors. theta energy: -144.076
Dist. restrs. and SS energy: 5.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2922.490538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.490538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.884502 (E_RNA)
where:
Base-Base interactions energy: -2031.630
where: short stacking energy: -862.249
Base-Backbone interact. energy: -2.271
local terms energy: -890.983320
where:
bonds (distance) C4'-P energy: -151.916
bonds (distance) P-C4' energy: -175.504
flat angles C4'-P-C4' energy: -182.121
flat angles P-C4'-P energy: -123.632
tors. eta vs tors. theta energy: -257.810
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: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2802.135439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.135439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.345045 (E_RNA)
where:
Base-Base interactions energy: -1930.803
where: short stacking energy: -799.013
Base-Backbone interact. energy: -6.164
local terms energy: -866.377652
where:
bonds (distance) C4'-P energy: -167.240
bonds (distance) P-C4' energy: -152.904
flat angles C4'-P-C4' energy: -186.242
flat angles P-C4'-P energy: -122.229
tors. eta vs tors. theta energy: -237.763
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2715.376836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.376836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.829870 (E_RNA)
where:
Base-Base interactions energy: -1862.903
where: short stacking energy: -756.554
Base-Backbone interact. energy: -0.962
local terms energy: -852.965285
where:
bonds (distance) C4'-P energy: -152.966
bonds (distance) P-C4' energy: -165.825
flat angles C4'-P-C4' energy: -176.352
flat angles P-C4'-P energy: -119.344
tors. eta vs tors. theta energy: -238.479
Dist. restrs. and SS energy: 1.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2416.629580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.629580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.313092 (E_RNA)
where:
Base-Base interactions energy: -1641.910
where: short stacking energy: -708.561
Base-Backbone interact. energy: -1.283
local terms energy: -775.120025
where:
bonds (distance) C4'-P energy: -145.903
bonds (distance) P-C4' energy: -146.505
flat angles C4'-P-C4' energy: -173.130
flat angles P-C4'-P energy: -115.762
tors. eta vs tors. theta energy: -193.821
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2330.360094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.360094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.392349 (E_RNA)
where:
Base-Base interactions energy: -1562.807
where: short stacking energy: -676.523
Base-Backbone interact. energy: 6.289
local terms energy: -775.874920
where:
bonds (distance) C4'-P energy: -150.288
bonds (distance) P-C4' energy: -159.431
flat angles C4'-P-C4' energy: -164.568
flat angles P-C4'-P energy: -104.717
tors. eta vs tors. theta energy: -196.871
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: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2123.270220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.270220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.815327 (E_RNA)
where:
Base-Base interactions energy: -1431.618
where: short stacking energy: -621.818
Base-Backbone interact. energy: -3.666
local terms energy: -690.531902
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -149.903
flat angles C4'-P-C4' energy: -154.000
flat angles P-C4'-P energy: -93.112
tors. eta vs tors. theta energy: -168.524
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2174.038179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.038179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.950448 (E_RNA)
where:
Base-Base interactions energy: -1461.741
where: short stacking energy: -611.999
Base-Backbone interact. energy: -4.649
local terms energy: -709.560270
where:
bonds (distance) C4'-P energy: -138.956
bonds (distance) P-C4' energy: -157.280
flat angles C4'-P-C4' energy: -159.169
flat angles P-C4'-P energy: -102.385
tors. eta vs tors. theta energy: -151.770
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1987.508274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.508274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.253345 (E_RNA)
where:
Base-Base interactions energy: -1363.527
where: short stacking energy: -571.434
Base-Backbone interact. energy: -4.635
local terms energy: -622.091532
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -120.134
flat angles C4'-P-C4' energy: -141.962
flat angles P-C4'-P energy: -96.233
tors. eta vs tors. theta energy: -131.537
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: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1990.622777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.622777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.068107 (E_RNA)
where:
Base-Base interactions energy: -1332.552
where: short stacking energy: -535.219
Base-Backbone interact. energy: 2.509
local terms energy: -663.025994
where:
bonds (distance) C4'-P energy: -151.174
bonds (distance) P-C4' energy: -138.702
flat angles C4'-P-C4' energy: -148.142
flat angles P-C4'-P energy: -91.806
tors. eta vs tors. theta energy: -133.202
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: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1836.657746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.657746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.416208 (E_RNA)
where:
Base-Base interactions energy: -1263.494
where: short stacking energy: -532.887
Base-Backbone interact. energy: -2.501
local terms energy: -574.421781
where:
bonds (distance) C4'-P energy: -119.655
bonds (distance) P-C4' energy: -107.020
flat angles C4'-P-C4' energy: -126.416
flat angles P-C4'-P energy: -92.838
tors. eta vs tors. theta energy: -128.492
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: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2933.471104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.693303 (E_RNA)
where:
Base-Base interactions energy: -2029.418
where: short stacking energy: -880.017
Base-Backbone interact. energy: -4.046
local terms energy: -902.229633
where:
bonds (distance) C4'-P energy: -179.147
bonds (distance) P-C4' energy: -157.738
flat angles C4'-P-C4' energy: -185.555
flat angles P-C4'-P energy: -125.483
tors. eta vs tors. theta energy: -254.307
Dist. restrs. and SS energy: 2.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2822.753383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.753383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.808340 (E_RNA)
where:
Base-Base interactions energy: -1964.870
where: short stacking energy: -823.966
Base-Backbone interact. energy: -5.481
local terms energy: -853.457299
where:
bonds (distance) C4'-P energy: -173.947
bonds (distance) P-C4' energy: -151.055
flat angles C4'-P-C4' energy: -167.805
flat angles P-C4'-P energy: -126.088
tors. eta vs tors. theta energy: -234.563
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: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2725.030669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.030669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.567876 (E_RNA)
where:
Base-Base interactions energy: -1867.241
where: short stacking energy: -779.296
Base-Backbone interact. energy: -2.660
local terms energy: -858.666484
where:
bonds (distance) C4'-P energy: -170.384
bonds (distance) P-C4' energy: -166.083
flat angles C4'-P-C4' energy: -182.372
flat angles P-C4'-P energy: -106.261
tors. eta vs tors. theta energy: -233.566
Dist. restrs. and SS energy: 3.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2424.548046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.548046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.396756 (E_RNA)
where:
Base-Base interactions energy: -1625.143
where: short stacking energy: -698.845
Base-Backbone interact. energy: -2.671
local terms energy: -798.582058
where:
bonds (distance) C4'-P energy: -143.844
bonds (distance) P-C4' energy: -157.179
flat angles C4'-P-C4' energy: -187.401
flat angles P-C4'-P energy: -112.482
tors. eta vs tors. theta energy: -197.676
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2318.918700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.918700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.630717 (E_RNA)
where:
Base-Base interactions energy: -1570.242
where: short stacking energy: -675.347
Base-Backbone interact. energy: 5.198
local terms energy: -755.586287
where:
bonds (distance) C4'-P energy: -134.322
bonds (distance) P-C4' energy: -152.455
flat angles C4'-P-C4' energy: -161.959
flat angles P-C4'-P energy: -110.391
tors. eta vs tors. theta energy: -196.459
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: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2225.465563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.465563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.939271 (E_RNA)
where:
Base-Base interactions energy: -1522.792
where: short stacking energy: -663.845
Base-Backbone interact. energy: -4.277
local terms energy: -699.870188
where:
bonds (distance) C4'-P energy: -125.758
bonds (distance) P-C4' energy: -142.575
flat angles C4'-P-C4' energy: -158.677
flat angles P-C4'-P energy: -97.697
tors. eta vs tors. theta energy: -175.163
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2115.759957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.759957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.434058 (E_RNA)
where:
Base-Base interactions energy: -1438.810
where: short stacking energy: -608.488
Base-Backbone interact. energy: 7.285
local terms energy: -686.908621
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -158.096
flat angles P-C4'-P energy: -102.267
tors. eta vs tors. theta energy: -165.246
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1961.692917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.692917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.888050 (E_RNA)
where:
Base-Base interactions energy: -1321.257
where: short stacking energy: -547.468
Base-Backbone interact. energy: 0.107
local terms energy: -643.738953
where:
bonds (distance) C4'-P energy: -128.516
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -144.979
flat angles P-C4'-P energy: -96.801
tors. eta vs tors. theta energy: -134.648
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: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1916.563229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.563229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.079280 (E_RNA)
where:
Base-Base interactions energy: -1300.691
where: short stacking energy: -544.776
Base-Backbone interact. energy: 1.190
local terms energy: -619.579175
where:
bonds (distance) C4'-P energy: -110.120
bonds (distance) P-C4' energy: -151.942
flat angles C4'-P-C4' energy: -141.232
flat angles P-C4'-P energy: -67.897
tors. eta vs tors. theta energy: -148.388
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: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1812.156069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.156069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.131751 (E_RNA)
where:
Base-Base interactions energy: -1270.502
where: short stacking energy: -516.273
Base-Backbone interact. energy: -2.633
local terms energy: -540.997044
where:
bonds (distance) C4'-P energy: -100.870
bonds (distance) P-C4' energy: -122.574
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -84.398
tors. eta vs tors. theta energy: -103.968
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2943.252549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.252549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.821709 (E_RNA)
where:
Base-Base interactions energy: -2052.317
where: short stacking energy: -849.147
Base-Backbone interact. energy: -3.172
local terms energy: -890.332867
where:
bonds (distance) C4'-P energy: -155.227
bonds (distance) P-C4' energy: -163.653
flat angles C4'-P-C4' energy: -190.652
flat angles P-C4'-P energy: -126.558
tors. eta vs tors. theta energy: -254.243
Dist. restrs. and SS energy: 2.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2828.082927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.082927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.075238 (E_RNA)
where:
Base-Base interactions energy: -1967.936
where: short stacking energy: -820.070
Base-Backbone interact. energy: -0.448
local terms energy: -861.691274
where:
bonds (distance) C4'-P energy: -157.459
bonds (distance) P-C4' energy: -153.578
flat angles C4'-P-C4' energy: -187.958
flat angles P-C4'-P energy: -115.820
tors. eta vs tors. theta energy: -246.877
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: 238
Temperature: 1.000000
Total energy: -2730.316876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.316876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.531007 (E_RNA)
where:
Base-Base interactions energy: -1883.697
where: short stacking energy: -811.207
Base-Backbone interact. energy: -3.008
local terms energy: -846.825816
where:
bonds (distance) C4'-P energy: -165.479
bonds (distance) P-C4' energy: -157.772
flat angles C4'-P-C4' energy: -182.045
flat angles P-C4'-P energy: -101.648
tors. eta vs tors. theta energy: -239.881
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: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2422.328037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.328037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.451198 (E_RNA)
where:
Base-Base interactions energy: -1623.975
where: short stacking energy: -705.412
Base-Backbone interact. energy: 2.005
local terms energy: -802.481549
where:
bonds (distance) C4'-P energy: -132.340
bonds (distance) P-C4' energy: -175.348
flat angles C4'-P-C4' energy: -167.387
flat angles P-C4'-P energy: -108.730
tors. eta vs tors. theta energy: -218.676
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: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2346.003853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.003853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.414385 (E_RNA)
where:
Base-Base interactions energy: -1589.830
where: short stacking energy: -697.761
Base-Backbone interact. energy: 3.025
local terms energy: -761.609417
where:
bonds (distance) C4'-P energy: -132.134
bonds (distance) P-C4' energy: -144.891
flat angles C4'-P-C4' energy: -177.399
flat angles P-C4'-P energy: -101.380
tors. eta vs tors. theta energy: -205.805
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2230.261778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.261778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.169827 (E_RNA)
where:
Base-Base interactions energy: -1524.600
where: short stacking energy: -655.419
Base-Backbone interact. energy: 0.148
local terms energy: -707.718027
where:
bonds (distance) C4'-P energy: -133.039
bonds (distance) P-C4' energy: -147.657
flat angles C4'-P-C4' energy: -135.655
flat angles P-C4'-P energy: -107.167
tors. eta vs tors. theta energy: -184.200
Dist. restrs. and SS energy: 1.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2077.600202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.600202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.278153 (E_RNA)
where:
Base-Base interactions energy: -1417.882
where: short stacking energy: -625.319
Base-Backbone interact. energy: 4.096
local terms energy: -666.493020
where:
bonds (distance) C4'-P energy: -126.076
bonds (distance) P-C4' energy: -137.591
flat angles C4'-P-C4' energy: -151.200
flat angles P-C4'-P energy: -95.987
tors. eta vs tors. theta energy: -155.639
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: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1994.871336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.871336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.566679 (E_RNA)
where:
Base-Base interactions energy: -1362.023
where: short stacking energy: -556.270
Base-Backbone interact. energy: -0.578
local terms energy: -633.964948
where:
bonds (distance) C4'-P energy: -132.552
bonds (distance) P-C4' energy: -135.160
flat angles C4'-P-C4' energy: -155.919
flat angles P-C4'-P energy: -75.428
tors. eta vs tors. theta energy: -134.906
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1895.734103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.734103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.693897 (E_RNA)
where:
Base-Base interactions energy: -1266.178
where: short stacking energy: -534.832
Base-Backbone interact. energy: -3.026
local terms energy: -638.490179
where:
bonds (distance) C4'-P energy: -117.906
bonds (distance) P-C4' energy: -128.823
flat angles C4'-P-C4' energy: -159.735
flat angles P-C4'-P energy: -94.893
tors. eta vs tors. theta energy: -137.134
Dist. restrs. and SS energy: 11.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1831.993162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.993162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.155639 (E_RNA)
where:
Base-Base interactions energy: -1229.916
where: short stacking energy: -515.418
Base-Backbone interact. energy: -1.508
local terms energy: -603.731765
where:
bonds (distance) C4'-P energy: -126.116
bonds (distance) P-C4' energy: -146.365
flat angles C4'-P-C4' energy: -124.660
flat angles P-C4'-P energy: -72.153
tors. eta vs tors. theta energy: -134.439
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: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2920.407860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.407860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.994562 (E_RNA)
where:
Base-Base interactions energy: -2032.463
where: short stacking energy: -844.980
Base-Backbone interact. energy: -2.699
local terms energy: -887.831683
where:
bonds (distance) C4'-P energy: -154.494
bonds (distance) P-C4' energy: -169.622
flat angles C4'-P-C4' energy: -190.783
flat angles P-C4'-P energy: -121.897
tors. eta vs tors. theta energy: -251.035
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: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2821.633113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.633113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.794604 (E_RNA)
where:
Base-Base interactions energy: -1951.833
where: short stacking energy: -803.727
Base-Backbone interact. energy: 0.017
local terms energy: -870.977820
where:
bonds (distance) C4'-P energy: -163.549
bonds (distance) P-C4' energy: -163.617
flat angles C4'-P-C4' energy: -186.189
flat angles P-C4'-P energy: -116.123
tors. eta vs tors. theta energy: -241.499
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: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2654.319171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.319171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.162811 (E_RNA)
where:
Base-Base interactions energy: -1845.751
where: short stacking energy: -776.458
Base-Backbone interact. energy: -2.383
local terms energy: -809.028295
where:
bonds (distance) C4'-P energy: -165.438
bonds (distance) P-C4' energy: -137.827
flat angles C4'-P-C4' energy: -172.745
flat angles P-C4'-P energy: -113.847
tors. eta vs tors. theta energy: -219.172
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: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2428.855609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.855609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.702847 (E_RNA)
where:
Base-Base interactions energy: -1654.495
where: short stacking energy: -746.881
Base-Backbone interact. energy: -0.956
local terms energy: -775.251412
where:
bonds (distance) C4'-P energy: -143.637
bonds (distance) P-C4' energy: -132.587
flat angles C4'-P-C4' energy: -176.236
flat angles P-C4'-P energy: -115.373
tors. eta vs tors. theta energy: -207.418
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: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2380.153014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.153014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.207135 (E_RNA)
where:
Base-Base interactions energy: -1606.937
where: short stacking energy: -704.295
Base-Backbone interact. energy: -2.307
local terms energy: -772.962830
where:
bonds (distance) C4'-P energy: -154.042
bonds (distance) P-C4' energy: -134.989
flat angles C4'-P-C4' energy: -166.146
flat angles P-C4'-P energy: -102.706
tors. eta vs tors. theta energy: -215.080
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: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2272.604348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.604348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.858056 (E_RNA)
where:
Base-Base interactions energy: -1529.345
where: short stacking energy: -641.323
Base-Backbone interact. energy: -0.364
local terms energy: -745.148876
where:
bonds (distance) C4'-P energy: -133.292
bonds (distance) P-C4' energy: -153.248
flat angles C4'-P-C4' energy: -160.421
flat angles P-C4'-P energy: -110.259
tors. eta vs tors. theta energy: -187.928
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: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2083.162401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.162401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.876699 (E_RNA)
where:
Base-Base interactions energy: -1395.672
where: short stacking energy: -607.430
Base-Backbone interact. energy: 0.720
local terms energy: -689.924668
where:
bonds (distance) C4'-P energy: -124.660
bonds (distance) P-C4' energy: -143.873
flat angles C4'-P-C4' energy: -162.561
flat angles P-C4'-P energy: -103.434
tors. eta vs tors. theta energy: -155.397
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: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2011.381092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.381092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.029911 (E_RNA)
where:
Base-Base interactions energy: -1364.085
where: short stacking energy: -550.142
Base-Backbone interact. energy: -2.669
local terms energy: -646.275615
where:
bonds (distance) C4'-P energy: -124.286
bonds (distance) P-C4' energy: -138.982
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -89.781
tors. eta vs tors. theta energy: -138.551
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: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1920.893573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.893573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.574485 (E_RNA)
where:
Base-Base interactions energy: -1289.321
where: short stacking energy: -535.382
Base-Backbone interact. energy: -5.135
local terms energy: -630.118210
where:
bonds (distance) C4'-P energy: -132.989
bonds (distance) P-C4' energy: -151.522
flat angles C4'-P-C4' energy: -138.872
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -136.047
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1869.991315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.991315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.668524 (E_RNA)
where:
Base-Base interactions energy: -1272.646
where: short stacking energy: -522.952
Base-Backbone interact. energy: 3.076
local terms energy: -604.098726
where:
bonds (distance) C4'-P energy: -127.237
bonds (distance) P-C4' energy: -104.586
flat angles C4'-P-C4' energy: -157.866
flat angles P-C4'-P energy: -84.968
tors. eta vs tors. theta energy: -129.442
Dist. restrs. and SS energy: 3.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2917.813968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.813968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.909773 (E_RNA)
where:
Base-Base interactions energy: -2013.156
where: short stacking energy: -872.149
Base-Backbone interact. energy: -3.907
local terms energy: -903.846858
where:
bonds (distance) C4'-P energy: -161.243
bonds (distance) P-C4' energy: -166.253
flat angles C4'-P-C4' energy: -180.956
flat angles P-C4'-P energy: -136.558
tors. eta vs tors. theta energy: -258.837
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2834.321955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.321955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.365876 (E_RNA)
where:
Base-Base interactions energy: -1996.112
where: short stacking energy: -811.906
Base-Backbone interact. energy: -3.701
local terms energy: -835.552811
where:
bonds (distance) C4'-P energy: -152.870
bonds (distance) P-C4' energy: -167.327
flat angles C4'-P-C4' energy: -178.409
flat angles P-C4'-P energy: -117.636
tors. eta vs tors. theta energy: -219.311
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: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2618.124481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.124481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.951013 (E_RNA)
where:
Base-Base interactions energy: -1790.157
where: short stacking energy: -774.810
Base-Backbone interact. energy: -0.046
local terms energy: -830.747924
where:
bonds (distance) C4'-P energy: -150.184
bonds (distance) P-C4' energy: -144.614
flat angles C4'-P-C4' energy: -178.276
flat angles P-C4'-P energy: -123.268
tors. eta vs tors. theta energy: -234.405
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2424.343341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.343341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.302258 (E_RNA)
where:
Base-Base interactions energy: -1623.395
where: short stacking energy: -721.852
Base-Backbone interact. energy: 1.825
local terms energy: -803.732242
where:
bonds (distance) C4'-P energy: -149.758
bonds (distance) P-C4' energy: -153.858
flat angles C4'-P-C4' energy: -175.436
flat angles P-C4'-P energy: -111.257
tors. eta vs tors. theta energy: -213.423
Dist. restrs. and SS energy: 0.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2363.046805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.046805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.003635 (E_RNA)
where:
Base-Base interactions energy: -1599.717
where: short stacking energy: -701.280
Base-Backbone interact. energy: 4.739
local terms energy: -771.025615
where:
bonds (distance) C4'-P energy: -158.392
bonds (distance) P-C4' energy: -146.959
flat angles C4'-P-C4' energy: -164.350
flat angles P-C4'-P energy: -105.369
tors. eta vs tors. theta energy: -195.955
Dist. restrs. and SS energy: 2.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2300.642295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.642295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.271506 (E_RNA)
where:
Base-Base interactions energy: -1554.658
where: short stacking energy: -666.050
Base-Backbone interact. energy: -0.727
local terms energy: -746.886640
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -138.549
flat angles C4'-P-C4' energy: -155.868
flat angles P-C4'-P energy: -115.962
tors. eta vs tors. theta energy: -206.425
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: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -2091.213035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.213035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.712005 (E_RNA)
where:
Base-Base interactions energy: -1393.091
where: short stacking energy: -611.913
Base-Backbone interact. energy: -0.345
local terms energy: -700.275966
where:
bonds (distance) C4'-P energy: -107.570
bonds (distance) P-C4' energy: -144.298
flat angles C4'-P-C4' energy: -162.729
flat angles P-C4'-P energy: -107.118
tors. eta vs tors. theta energy: -178.561
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: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2027.215771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.215771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.572833 (E_RNA)
where:
Base-Base interactions energy: -1394.372
where: short stacking energy: -586.136
Base-Backbone interact. energy: 4.588
local terms energy: -639.789003
where:
bonds (distance) C4'-P energy: -108.526
bonds (distance) P-C4' energy: -130.635
flat angles C4'-P-C4' energy: -139.107
flat angles P-C4'-P energy: -101.892
tors. eta vs tors. theta energy: -159.629
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1897.812545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.812545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.948332 (E_RNA)
where:
Base-Base interactions energy: -1309.861
where: short stacking energy: -551.114
Base-Backbone interact. energy: -2.111
local terms energy: -589.976939
where:
bonds (distance) C4'-P energy: -113.858
bonds (distance) P-C4' energy: -121.024
flat angles C4'-P-C4' energy: -129.724
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -153.146
Dist. restrs. and SS energy: 4.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1903.561107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.561107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.512212 (E_RNA)
where:
Base-Base interactions energy: -1288.338
where: short stacking energy: -541.090
Base-Backbone interact. energy: -3.002
local terms energy: -616.172806
where:
bonds (distance) C4'-P energy: -121.926
bonds (distance) P-C4' energy: -134.785
flat angles C4'-P-C4' energy: -141.129
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -143.553
Dist. restrs. and SS energy: 3.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2895.044184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.044184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.878636 (E_RNA)
where:
Base-Base interactions energy: -2024.921
where: short stacking energy: -845.739
Base-Backbone interact. energy: -3.563
local terms energy: -869.394513
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -162.135
flat angles C4'-P-C4' energy: -189.498
flat angles P-C4'-P energy: -125.977
tors. eta vs tors. theta energy: -246.905
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2850.178309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.178309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.186146 (E_RNA)
where:
Base-Base interactions energy: -2004.225
where: short stacking energy: -814.769
Base-Backbone interact. energy: -1.681
local terms energy: -845.279851
where:
bonds (distance) C4'-P energy: -153.313
bonds (distance) P-C4' energy: -164.549
flat angles C4'-P-C4' energy: -182.005
flat angles P-C4'-P energy: -106.729
tors. eta vs tors. theta energy: -238.684
Dist. restrs. and SS energy: 1.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2644.306896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.306896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.445721 (E_RNA)
where:
Base-Base interactions energy: -1809.963
where: short stacking energy: -798.620
Base-Backbone interact. energy: 0.879
local terms energy: -838.361186
where:
bonds (distance) C4'-P energy: -158.149
bonds (distance) P-C4' energy: -153.693
flat angles C4'-P-C4' energy: -167.831
flat angles P-C4'-P energy: -117.130
tors. eta vs tors. theta energy: -241.557
Dist. restrs. and SS energy: 3.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2417.929374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.929374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.917791 (E_RNA)
where:
Base-Base interactions energy: -1632.180
where: short stacking energy: -735.624
Base-Backbone interact. energy: 0.039
local terms energy: -787.776841
where:
bonds (distance) C4'-P energy: -138.398
bonds (distance) P-C4' energy: -150.832
flat angles C4'-P-C4' energy: -190.711
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -201.652
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: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2384.193659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.193659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.359437 (E_RNA)
where:
Base-Base interactions energy: -1609.861
where: short stacking energy: -702.407
Base-Backbone interact. energy: -3.891
local terms energy: -772.607081
where:
bonds (distance) C4'-P energy: -154.157
bonds (distance) P-C4' energy: -151.516
flat angles C4'-P-C4' energy: -169.872
flat angles P-C4'-P energy: -106.532
tors. eta vs tors. theta energy: -190.530
Dist. restrs. and SS energy: 2.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2261.630993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.630993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.169855 (E_RNA)
where:
Base-Base interactions energy: -1550.717
where: short stacking energy: -648.942
Base-Backbone interact. energy: -0.143
local terms energy: -713.309687
where:
bonds (distance) C4'-P energy: -133.865
bonds (distance) P-C4' energy: -133.554
flat angles C4'-P-C4' energy: -167.817
flat angles P-C4'-P energy: -103.146
tors. eta vs tors. theta energy: -174.928
Dist. restrs. and SS energy: 2.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2100.227803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.227803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.308973 (E_RNA)
where:
Base-Base interactions energy: -1391.137
where: short stacking energy: -604.762
Base-Backbone interact. energy: 0.173
local terms energy: -711.345550
where:
bonds (distance) C4'-P energy: -134.358
bonds (distance) P-C4' energy: -139.869
flat angles C4'-P-C4' energy: -159.815
flat angles P-C4'-P energy: -116.229
tors. eta vs tors. theta energy: -161.074
Dist. restrs. and SS energy: 2.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1988.707658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.707658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.239168 (E_RNA)
where:
Base-Base interactions energy: -1329.203
where: short stacking energy: -584.321
Base-Backbone interact. energy: 2.071
local terms energy: -664.107220
where:
bonds (distance) C4'-P energy: -141.571
bonds (distance) P-C4' energy: -144.063
flat angles C4'-P-C4' energy: -156.308
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -152.219
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1932.047959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.141791 (E_RNA)
where:
Base-Base interactions energy: -1283.888
where: short stacking energy: -561.239
Base-Backbone interact. energy: -0.894
local terms energy: -651.360363
where:
bonds (distance) C4'-P energy: -145.558
bonds (distance) P-C4' energy: -133.112
flat angles C4'-P-C4' energy: -134.389
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -146.377
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1837.168755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.168755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.966910 (E_RNA)
where:
Base-Base interactions energy: -1245.543
where: short stacking energy: -503.159
Base-Backbone interact. energy: 0.620
local terms energy: -596.043293
where:
bonds (distance) C4'-P energy: -123.781
bonds (distance) P-C4' energy: -120.045
flat angles C4'-P-C4' energy: -133.556
flat angles P-C4'-P energy: -88.882
tors. eta vs tors. theta energy: -129.779
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2897.169967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.169967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.255604 (E_RNA)
where:
Base-Base interactions energy: -2014.223
where: short stacking energy: -838.832
Base-Backbone interact. energy: -2.163
local terms energy: -882.869071
where:
bonds (distance) C4'-P energy: -153.694
bonds (distance) P-C4' energy: -165.252
flat angles C4'-P-C4' energy: -182.630
flat angles P-C4'-P energy: -136.362
tors. eta vs tors. theta energy: -244.931
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: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2843.263991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.263991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.875501 (E_RNA)
where:
Base-Base interactions energy: -1965.680
where: short stacking energy: -823.516
Base-Backbone interact. energy: -5.595
local terms energy: -874.599989
where:
bonds (distance) C4'-P energy: -151.545
bonds (distance) P-C4' energy: -166.979
flat angles C4'-P-C4' energy: -189.004
flat angles P-C4'-P energy: -124.722
tors. eta vs tors. theta energy: -242.349
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2582.379764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.379764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.928877 (E_RNA)
where:
Base-Base interactions energy: -1745.719
where: short stacking energy: -727.161
Base-Backbone interact. energy: -2.208
local terms energy: -836.001390
where:
bonds (distance) C4'-P energy: -155.997
bonds (distance) P-C4' energy: -141.999
flat angles C4'-P-C4' energy: -176.351
flat angles P-C4'-P energy: -125.138
tors. eta vs tors. theta energy: -236.516
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: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2441.155619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.155619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.335361 (E_RNA)
where:
Base-Base interactions energy: -1624.987
where: short stacking energy: -710.301
Base-Backbone interact. energy: -2.371
local terms energy: -815.977294
where:
bonds (distance) C4'-P energy: -154.500
bonds (distance) P-C4' energy: -154.655
flat angles C4'-P-C4' energy: -165.518
flat angles P-C4'-P energy: -135.474
tors. eta vs tors. theta energy: -205.829
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2341.446480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.446480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.066227 (E_RNA)
where:
Base-Base interactions energy: -1588.490
where: short stacking energy: -675.825
Base-Backbone interact. energy: -2.194
local terms energy: -752.383102
where:
bonds (distance) C4'-P energy: -132.042
bonds (distance) P-C4' energy: -142.109
flat angles C4'-P-C4' energy: -171.360
flat angles P-C4'-P energy: -113.177
tors. eta vs tors. theta energy: -193.695
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2247.720743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.720743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.333147 (E_RNA)
where:
Base-Base interactions energy: -1547.661
where: short stacking energy: -657.820
Base-Backbone interact. energy: -3.684
local terms energy: -698.988575
where:
bonds (distance) C4'-P energy: -152.140
bonds (distance) P-C4' energy: -135.668
flat angles C4'-P-C4' energy: -146.398
flat angles P-C4'-P energy: -98.601
tors. eta vs tors. theta energy: -166.182
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2089.140866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.140866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.589847 (E_RNA)
where:
Base-Base interactions energy: -1384.260
where: short stacking energy: -583.920
Base-Backbone interact. energy: -3.860
local terms energy: -703.469707
where:
bonds (distance) C4'-P energy: -131.571
bonds (distance) P-C4' energy: -137.067
flat angles C4'-P-C4' energy: -171.568
flat angles P-C4'-P energy: -106.127
tors. eta vs tors. theta energy: -157.137
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: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2025.774151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.774151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.764780 (E_RNA)
where:
Base-Base interactions energy: -1385.684
where: short stacking energy: -589.005
Base-Backbone interact. energy: 1.256
local terms energy: -643.336491
where:
bonds (distance) C4'-P energy: -128.023
bonds (distance) P-C4' energy: -147.131
flat angles C4'-P-C4' energy: -125.848
flat angles P-C4'-P energy: -86.140
tors. eta vs tors. theta energy: -156.194
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: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1929.481573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.481573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.502667 (E_RNA)
where:
Base-Base interactions energy: -1311.874
where: short stacking energy: -540.160
Base-Backbone interact. energy: -0.274
local terms energy: -619.354687
where:
bonds (distance) C4'-P energy: -104.219
bonds (distance) P-C4' energy: -110.138
flat angles C4'-P-C4' energy: -157.893
flat angles P-C4'-P energy: -104.629
tors. eta vs tors. theta energy: -142.475
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1850.247792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.247792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.916335 (E_RNA)
where:
Base-Base interactions energy: -1228.917
where: short stacking energy: -520.339
Base-Backbone interact. energy: -1.660
local terms energy: -633.339718
where:
bonds (distance) C4'-P energy: -134.130
bonds (distance) P-C4' energy: -139.900
flat angles C4'-P-C4' energy: -138.307
flat angles P-C4'-P energy: -96.801
tors. eta vs tors. theta energy: -124.201
Dist. restrs. and SS energy: 13.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2926.463036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.463036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.992513 (E_RNA)
where:
Base-Base interactions energy: -2043.429
where: short stacking energy: -856.141
Base-Backbone interact. energy: 6.987
local terms energy: -892.550943
where:
bonds (distance) C4'-P energy: -155.793
bonds (distance) P-C4' energy: -160.008
flat angles C4'-P-C4' energy: -194.214
flat angles P-C4'-P energy: -126.945
tors. eta vs tors. theta energy: -255.590
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2868.891892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.891892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.889956 (E_RNA)
where:
Base-Base interactions energy: -2013.122
where: short stacking energy: -801.395
Base-Backbone interact. energy: -5.052
local terms energy: -851.716405
where:
bonds (distance) C4'-P energy: -161.966
bonds (distance) P-C4' energy: -146.490
flat angles C4'-P-C4' energy: -183.940
flat angles P-C4'-P energy: -118.457
tors. eta vs tors. theta energy: -240.863
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2592.749656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.749656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.183459 (E_RNA)
where:
Base-Base interactions energy: -1775.013
where: short stacking energy: -772.949
Base-Backbone interact. energy: -0.693
local terms energy: -819.478032
where:
bonds (distance) C4'-P energy: -147.746
bonds (distance) P-C4' energy: -160.478
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -97.889
tors. eta vs tors. theta energy: -239.037
Dist. restrs. and SS energy: 2.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2480.160869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.160869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.579858 (E_RNA)
where:
Base-Base interactions energy: -1684.332
where: short stacking energy: -740.026
Base-Backbone interact. energy: 2.904
local terms energy: -800.151235
where:
bonds (distance) C4'-P energy: -162.460
bonds (distance) P-C4' energy: -159.050
flat angles C4'-P-C4' energy: -165.141
flat angles P-C4'-P energy: -104.062
tors. eta vs tors. theta energy: -209.439
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: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2378.515919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.515919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.560943 (E_RNA)
where:
Base-Base interactions energy: -1590.431
where: short stacking energy: -684.865
Base-Backbone interact. energy: 0.535
local terms energy: -790.664331
where:
bonds (distance) C4'-P energy: -159.731
bonds (distance) P-C4' energy: -164.567
flat angles C4'-P-C4' energy: -162.876
flat angles P-C4'-P energy: -106.101
tors. eta vs tors. theta energy: -197.389
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: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2243.655957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.655957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.103206 (E_RNA)
where:
Base-Base interactions energy: -1528.429
where: short stacking energy: -644.084
Base-Backbone interact. energy: -1.660
local terms energy: -715.014675
where:
bonds (distance) C4'-P energy: -135.699
bonds (distance) P-C4' energy: -145.466
flat angles C4'-P-C4' energy: -140.584
flat angles P-C4'-P energy: -101.523
tors. eta vs tors. theta energy: -191.744
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: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2084.464952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.464952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.953008 (E_RNA)
where:
Base-Base interactions energy: -1399.874
where: short stacking energy: -600.957
Base-Backbone interact. energy: -2.340
local terms energy: -685.739020
where:
bonds (distance) C4'-P energy: -124.993
bonds (distance) P-C4' energy: -139.770
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -105.809
tors. eta vs tors. theta energy: -162.493
Dist. restrs. and SS energy: 3.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2050.074176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.074176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.909363 (E_RNA)
where:
Base-Base interactions energy: -1397.540
where: short stacking energy: -587.457
Base-Backbone interact. energy: -2.288
local terms energy: -653.081274
where:
bonds (distance) C4'-P energy: -127.819
bonds (distance) P-C4' energy: -135.812
flat angles C4'-P-C4' energy: -154.619
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -151.582
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: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1899.381590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.381590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.328340 (E_RNA)
where:
Base-Base interactions energy: -1256.838
where: short stacking energy: -543.166
Base-Backbone interact. energy: -2.452
local terms energy: -644.038543
where:
bonds (distance) C4'-P energy: -117.088
bonds (distance) P-C4' energy: -147.157
flat angles C4'-P-C4' energy: -150.839
flat angles P-C4'-P energy: -95.355
tors. eta vs tors. theta energy: -133.600
Dist. restrs. and SS energy: 3.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1882.010950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.010950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.201473 (E_RNA)
where:
Base-Base interactions energy: -1281.963
where: short stacking energy: -533.831
Base-Backbone interact. energy: -2.598
local terms energy: -599.640798
where:
bonds (distance) C4'-P energy: -114.602
bonds (distance) P-C4' energy: -129.336
flat angles C4'-P-C4' energy: -136.550
flat angles P-C4'-P energy: -83.596
tors. eta vs tors. theta energy: -135.556
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: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2908.429537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.429537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.040587 (E_RNA)
where:
Base-Base interactions energy: -2030.026
where: short stacking energy: -846.318
Base-Backbone interact. energy: -3.098
local terms energy: -876.916728
where:
bonds (distance) C4'-P energy: -155.201
bonds (distance) P-C4' energy: -159.707
flat angles C4'-P-C4' energy: -188.853
flat angles P-C4'-P energy: -126.093
tors. eta vs tors. theta energy: -247.063
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2862.648071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.648071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.350474 (E_RNA)
where:
Base-Base interactions energy: -1996.535
where: short stacking energy: -794.883
Base-Backbone interact. energy: -1.500
local terms energy: -866.315925
where:
bonds (distance) C4'-P energy: -159.186
bonds (distance) P-C4' energy: -168.092
flat angles C4'-P-C4' energy: -183.021
flat angles P-C4'-P energy: -125.549
tors. eta vs tors. theta energy: -230.467
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2612.404933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.404933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.290174 (E_RNA)
where:
Base-Base interactions energy: -1794.409
where: short stacking energy: -754.701
Base-Backbone interact. energy: -3.773
local terms energy: -816.108371
where:
bonds (distance) C4'-P energy: -154.532
bonds (distance) P-C4' energy: -141.798
flat angles C4'-P-C4' energy: -166.438
flat angles P-C4'-P energy: -119.227
tors. eta vs tors. theta energy: -234.112
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2441.625457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.625457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.988290 (E_RNA)
where:
Base-Base interactions energy: -1632.733
where: short stacking energy: -680.120
Base-Backbone interact. energy: -1.071
local terms energy: -810.184110
where:
bonds (distance) C4'-P energy: -156.721
bonds (distance) P-C4' energy: -161.736
flat angles C4'-P-C4' energy: -163.802
flat angles P-C4'-P energy: -123.722
tors. eta vs tors. theta energy: -204.203
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: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2354.726094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.726094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.204280 (E_RNA)
where:
Base-Base interactions energy: -1600.240
where: short stacking energy: -708.761
Base-Backbone interact. energy: -3.895
local terms energy: -753.069707
where:
bonds (distance) C4'-P energy: -140.677
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -162.045
flat angles P-C4'-P energy: -101.750
tors. eta vs tors. theta energy: -211.932
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2234.071785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.071785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.973113 (E_RNA)
where:
Base-Base interactions energy: -1510.660
where: short stacking energy: -621.763
Base-Backbone interact. energy: 1.586
local terms energy: -727.898721
where:
bonds (distance) C4'-P energy: -122.089
bonds (distance) P-C4' energy: -166.861
flat angles C4'-P-C4' energy: -162.883
flat angles P-C4'-P energy: -111.022
tors. eta vs tors. theta energy: -165.044
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2123.369408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.369408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.253969 (E_RNA)
where:
Base-Base interactions energy: -1416.823
where: short stacking energy: -625.703
Base-Backbone interact. energy: -2.423
local terms energy: -705.007058
where:
bonds (distance) C4'-P energy: -135.242
bonds (distance) P-C4' energy: -159.523
flat angles C4'-P-C4' energy: -152.742
flat angles P-C4'-P energy: -97.672
tors. eta vs tors. theta energy: -159.829
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2008.192337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.192337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.374009 (E_RNA)
where:
Base-Base interactions energy: -1370.950
where: short stacking energy: -584.569
Base-Backbone interact. energy: 1.293
local terms energy: -641.716411
where:
bonds (distance) C4'-P energy: -118.161
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -157.608
flat angles P-C4'-P energy: -83.080
tors. eta vs tors. theta energy: -157.568
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: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1906.457730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.457730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.116369 (E_RNA)
where:
Base-Base interactions energy: -1322.383
where: short stacking energy: -561.176
Base-Backbone interact. energy: 1.166
local terms energy: -588.899665
where:
bonds (distance) C4'-P energy: -109.637
bonds (distance) P-C4' energy: -122.078
flat angles C4'-P-C4' energy: -143.910
flat angles P-C4'-P energy: -83.522
tors. eta vs tors. theta energy: -129.753
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: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -1891.632064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.632064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.713111 (E_RNA)
where:
Base-Base interactions energy: -1296.152
where: short stacking energy: -559.048
Base-Backbone interact. energy: 2.285
local terms energy: -602.845762
where:
bonds (distance) C4'-P energy: -126.673
bonds (distance) P-C4' energy: -124.525
flat angles C4'-P-C4' energy: -136.025
flat angles P-C4'-P energy: -75.094
tors. eta vs tors. theta energy: -140.528
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: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2907.814650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.814650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.782161 (E_RNA)
where:
Base-Base interactions energy: -2016.648
where: short stacking energy: -863.806
Base-Backbone interact. energy: -4.439
local terms energy: -888.695433
where:
bonds (distance) C4'-P energy: -162.669
bonds (distance) P-C4' energy: -162.838
flat angles C4'-P-C4' energy: -183.580
flat angles P-C4'-P energy: -131.509
tors. eta vs tors. theta energy: -248.099
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2854.954606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.954606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.522579 (E_RNA)
where:
Base-Base interactions energy: -2004.742
where: short stacking energy: -827.069
Base-Backbone interact. energy: 0.948
local terms energy: -852.728981
where:
bonds (distance) C4'-P energy: -174.834
bonds (distance) P-C4' energy: -151.422
flat angles C4'-P-C4' energy: -179.515
flat angles P-C4'-P energy: -112.249
tors. eta vs tors. theta energy: -234.710
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: 245
Temperature: 1.000000
Total energy: -2589.267816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.267816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.866458 (E_RNA)
where:
Base-Base interactions energy: -1766.841
where: short stacking energy: -761.619
Base-Backbone interact. energy: -3.328
local terms energy: -822.697476
where:
bonds (distance) C4'-P energy: -162.452
bonds (distance) P-C4' energy: -157.582
flat angles C4'-P-C4' energy: -180.531
flat angles P-C4'-P energy: -111.655
tors. eta vs tors. theta energy: -210.478
Dist. restrs. and SS energy: 3.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2433.035722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.035722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.787474 (E_RNA)
where:
Base-Base interactions energy: -1649.563
where: short stacking energy: -709.252
Base-Backbone interact. energy: -1.244
local terms energy: -783.980876
where:
bonds (distance) C4'-P energy: -152.406
bonds (distance) P-C4' energy: -150.337
flat angles C4'-P-C4' energy: -160.710
flat angles P-C4'-P energy: -106.855
tors. eta vs tors. theta energy: -213.672
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2344.005043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.005043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.767283 (E_RNA)
where:
Base-Base interactions energy: -1579.121
where: short stacking energy: -692.782
Base-Backbone interact. energy: 0.430
local terms energy: -767.076138
where:
bonds (distance) C4'-P energy: -138.466
bonds (distance) P-C4' energy: -134.385
flat angles C4'-P-C4' energy: -168.640
flat angles P-C4'-P energy: -120.647
tors. eta vs tors. theta energy: -204.939
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: 245
Temperature: 1.150000
Total energy: -2277.967648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.967648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.501765 (E_RNA)
where:
Base-Base interactions energy: -1564.542
where: short stacking energy: -658.288
Base-Backbone interact. energy: -0.661
local terms energy: -715.298688
where:
bonds (distance) C4'-P energy: -133.179
bonds (distance) P-C4' energy: -147.163
flat angles C4'-P-C4' energy: -148.112
flat angles P-C4'-P energy: -101.575
tors. eta vs tors. theta energy: -185.270
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: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2127.585336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.585336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.025799 (E_RNA)
where:
Base-Base interactions energy: -1434.117
where: short stacking energy: -608.150
Base-Backbone interact. energy: -2.604
local terms energy: -692.304573
where:
bonds (distance) C4'-P energy: -122.261
bonds (distance) P-C4' energy: -148.890
flat angles C4'-P-C4' energy: -157.575
flat angles P-C4'-P energy: -91.215
tors. eta vs tors. theta energy: -172.364
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: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2056.776814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.680555 (E_RNA)
where:
Base-Base interactions energy: -1417.882
where: short stacking energy: -592.231
Base-Backbone interact. energy: 2.462
local terms energy: -644.260020
where:
bonds (distance) C4'-P energy: -129.156
bonds (distance) P-C4' energy: -120.923
flat angles C4'-P-C4' energy: -148.506
flat angles P-C4'-P energy: -91.614
tors. eta vs tors. theta energy: -154.061
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: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1905.734831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.734831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.299436 (E_RNA)
where:
Base-Base interactions energy: -1334.212
where: short stacking energy: -563.610
Base-Backbone interact. energy: 6.747
local terms energy: -584.834945
where:
bonds (distance) C4'-P energy: -110.407
bonds (distance) P-C4' energy: -140.170
flat angles C4'-P-C4' energy: -123.088
flat angles P-C4'-P energy: -69.309
tors. eta vs tors. theta energy: -141.861
Dist. restrs. and SS energy: 6.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1864.657677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.657677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.287409 (E_RNA)
where:
Base-Base interactions energy: -1251.301
where: short stacking energy: -516.423
Base-Backbone interact. energy: 0.838
local terms energy: -617.824209
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -129.003
flat angles C4'-P-C4' energy: -140.512
flat angles P-C4'-P energy: -92.410
tors. eta vs tors. theta energy: -125.845
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: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2915.537813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.537813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.859714 (E_RNA)
where:
Base-Base interactions energy: -2003.571
where: short stacking energy: -855.210
Base-Backbone interact. energy: -7.464
local terms energy: -906.824554
where:
bonds (distance) C4'-P energy: -156.856
bonds (distance) P-C4' energy: -177.441
flat angles C4'-P-C4' energy: -188.664
flat angles P-C4'-P energy: -126.846
tors. eta vs tors. theta energy: -257.018
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: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2805.508778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.508778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.674343 (E_RNA)
where:
Base-Base interactions energy: -1963.642
where: short stacking energy: -809.621
Base-Backbone interact. energy: -1.655
local terms energy: -841.376850
where:
bonds (distance) C4'-P energy: -154.484
bonds (distance) P-C4' energy: -159.079
flat angles C4'-P-C4' energy: -171.948
flat angles P-C4'-P energy: -123.927
tors. eta vs tors. theta energy: -231.940
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2527.237339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.237339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.615335 (E_RNA)
where:
Base-Base interactions energy: -1696.257
where: short stacking energy: -745.303
Base-Backbone interact. energy: -2.872
local terms energy: -829.486367
where:
bonds (distance) C4'-P energy: -153.592
bonds (distance) P-C4' energy: -162.099
flat angles C4'-P-C4' energy: -175.509
flat angles P-C4'-P energy: -112.323
tors. eta vs tors. theta energy: -225.964
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: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2506.962006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.962006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.617757 (E_RNA)
where:
Base-Base interactions energy: -1713.909
where: short stacking energy: -740.467
Base-Backbone interact. energy: 2.046
local terms energy: -796.754938
where:
bonds (distance) C4'-P energy: -146.929
bonds (distance) P-C4' energy: -153.021
flat angles C4'-P-C4' energy: -167.358
flat angles P-C4'-P energy: -109.860
tors. eta vs tors. theta energy: -219.587
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: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2320.350038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.350038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.021428 (E_RNA)
where:
Base-Base interactions energy: -1568.988
where: short stacking energy: -679.935
Base-Backbone interact. energy: 0.308
local terms energy: -753.340696
where:
bonds (distance) C4'-P energy: -130.657
bonds (distance) P-C4' energy: -147.907
flat angles C4'-P-C4' energy: -166.584
flat angles P-C4'-P energy: -106.096
tors. eta vs tors. theta energy: -202.097
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2243.843270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.843270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.426955 (E_RNA)
where:
Base-Base interactions energy: -1516.254
where: short stacking energy: -641.760
Base-Backbone interact. energy: 0.221
local terms energy: -731.394149
where:
bonds (distance) C4'-P energy: -142.166
bonds (distance) P-C4' energy: -120.502
flat angles C4'-P-C4' energy: -171.073
flat angles P-C4'-P energy: -111.891
tors. eta vs tors. theta energy: -185.762
Dist. restrs. and SS energy: 3.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2077.575357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.575357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.692017 (E_RNA)
where:
Base-Base interactions energy: -1402.043
where: short stacking energy: -620.982
Base-Backbone interact. energy: -3.487
local terms energy: -674.162727
where:
bonds (distance) C4'-P energy: -131.260
bonds (distance) P-C4' energy: -128.416
flat angles C4'-P-C4' energy: -164.627
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -160.294
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1994.543158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.543158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.773692 (E_RNA)
where:
Base-Base interactions energy: -1353.967
where: short stacking energy: -564.949
Base-Backbone interact. energy: -0.160
local terms energy: -642.646220
where:
bonds (distance) C4'-P energy: -124.450
bonds (distance) P-C4' energy: -151.230
flat angles C4'-P-C4' energy: -144.153
flat angles P-C4'-P energy: -78.328
tors. eta vs tors. theta energy: -144.485
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1905.305394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.305394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.245011 (E_RNA)
where:
Base-Base interactions energy: -1308.498
where: short stacking energy: -545.346
Base-Backbone interact. energy: 0.830
local terms energy: -602.576788
where:
bonds (distance) C4'-P energy: -115.700
bonds (distance) P-C4' energy: -129.147
flat angles C4'-P-C4' energy: -144.015
flat angles P-C4'-P energy: -83.568
tors. eta vs tors. theta energy: -130.147
Dist. restrs. and SS energy: 4.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1893.470362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.470362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.748287 (E_RNA)
where:
Base-Base interactions energy: -1243.400
where: short stacking energy: -515.056
Base-Backbone interact. energy: -3.734
local terms energy: -650.613622
where:
bonds (distance) C4'-P energy: -132.064
bonds (distance) P-C4' energy: -144.433
flat angles C4'-P-C4' energy: -147.979
flat angles P-C4'-P energy: -94.700
tors. eta vs tors. theta energy: -131.438
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2907.491152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.491152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.020027 (E_RNA)
where:
Base-Base interactions energy: -2002.377
where: short stacking energy: -865.930
Base-Backbone interact. energy: -4.683
local terms energy: -901.959541
where:
bonds (distance) C4'-P energy: -163.519
bonds (distance) P-C4' energy: -170.462
flat angles C4'-P-C4' energy: -184.733
flat angles P-C4'-P energy: -125.027
tors. eta vs tors. theta energy: -258.219
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2817.842383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.842383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.894682 (E_RNA)
where:
Base-Base interactions energy: -1943.557
where: short stacking energy: -800.668
Base-Backbone interact. energy: -0.802
local terms energy: -874.535907
where:
bonds (distance) C4'-P energy: -158.782
bonds (distance) P-C4' energy: -168.569
flat angles C4'-P-C4' energy: -176.567
flat angles P-C4'-P energy: -130.583
tors. eta vs tors. theta energy: -240.035
Dist. restrs. and SS energy: 1.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2533.432760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.432760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.460507 (E_RNA)
where:
Base-Base interactions energy: -1681.342
where: short stacking energy: -759.235
Base-Backbone interact. energy: -3.317
local terms energy: -850.800980
where:
bonds (distance) C4'-P energy: -154.221
bonds (distance) P-C4' energy: -172.172
flat angles C4'-P-C4' energy: -175.234
flat angles P-C4'-P energy: -116.707
tors. eta vs tors. theta energy: -232.467
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: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2500.834758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.834758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.068008 (E_RNA)
where:
Base-Base interactions energy: -1724.697
where: short stacking energy: -732.730
Base-Backbone interact. energy: -1.266
local terms energy: -777.104877
where:
bonds (distance) C4'-P energy: -132.687
bonds (distance) P-C4' energy: -163.557
flat angles C4'-P-C4' energy: -160.992
flat angles P-C4'-P energy: -99.513
tors. eta vs tors. theta energy: -220.356
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: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2362.312303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.312303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.854095 (E_RNA)
where:
Base-Base interactions energy: -1586.779
where: short stacking energy: -688.018
Base-Backbone interact. energy: -1.011
local terms energy: -776.063735
where:
bonds (distance) C4'-P energy: -132.489
bonds (distance) P-C4' energy: -157.229
flat angles C4'-P-C4' energy: -167.086
flat angles P-C4'-P energy: -118.141
tors. eta vs tors. theta energy: -201.119
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2249.295555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.295555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.993841 (E_RNA)
where:
Base-Base interactions energy: -1518.171
where: short stacking energy: -640.525
Base-Backbone interact. energy: 1.103
local terms energy: -734.925846
where:
bonds (distance) C4'-P energy: -134.137
bonds (distance) P-C4' energy: -135.990
flat angles C4'-P-C4' energy: -164.741
flat angles P-C4'-P energy: -111.733
tors. eta vs tors. theta energy: -188.325
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: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2071.376184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.376184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.181043 (E_RNA)
where:
Base-Base interactions energy: -1405.722
where: short stacking energy: -577.193
Base-Backbone interact. energy: 4.264
local terms energy: -671.723848
where:
bonds (distance) C4'-P energy: -138.952
bonds (distance) P-C4' energy: -116.367
flat angles C4'-P-C4' energy: -150.606
flat angles P-C4'-P energy: -101.734
tors. eta vs tors. theta energy: -164.064
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: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2029.808328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.808328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.043621 (E_RNA)
where:
Base-Base interactions energy: -1381.302
where: short stacking energy: -587.075
Base-Backbone interact. energy: 8.016
local terms energy: -660.758352
where:
bonds (distance) C4'-P energy: -128.209
bonds (distance) P-C4' energy: -154.824
flat angles C4'-P-C4' energy: -147.948
flat angles P-C4'-P energy: -68.692
tors. eta vs tors. theta energy: -161.085
Dist. restrs. and SS energy: 4.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1878.553875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.553875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.285959 (E_RNA)
where:
Base-Base interactions energy: -1284.956
where: short stacking energy: -508.934
Base-Backbone interact. energy: -3.730
local terms energy: -591.599906
where:
bonds (distance) C4'-P energy: -102.697
bonds (distance) P-C4' energy: -128.752
flat angles C4'-P-C4' energy: -150.140
flat angles P-C4'-P energy: -91.695
tors. eta vs tors. theta energy: -118.316
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: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1841.969219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.969219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.989690 (E_RNA)
where:
Base-Base interactions energy: -1272.994
where: short stacking energy: -538.859
Base-Backbone interact. energy: -3.461
local terms energy: -569.535061
where:
bonds (distance) C4'-P energy: -125.217
bonds (distance) P-C4' energy: -100.387
flat angles C4'-P-C4' energy: -144.895
flat angles P-C4'-P energy: -77.370
tors. eta vs tors. theta energy: -121.667
Dist. restrs. and SS energy: 4.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2904.104193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.104193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.947563 (E_RNA)
where:
Base-Base interactions energy: -1980.263
where: short stacking energy: -840.550
Base-Backbone interact. energy: -3.814
local terms energy: -921.871096
where:
bonds (distance) C4'-P energy: -151.128
bonds (distance) P-C4' energy: -170.704
flat angles C4'-P-C4' energy: -192.067
flat angles P-C4'-P energy: -146.475
tors. eta vs tors. theta energy: -261.497
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2793.570681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.570681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.222007 (E_RNA)
where:
Base-Base interactions energy: -1971.906
where: short stacking energy: -813.567
Base-Backbone interact. energy: 1.094
local terms energy: -824.409805
where:
bonds (distance) C4'-P energy: -143.595
bonds (distance) P-C4' energy: -158.089
flat angles C4'-P-C4' energy: -184.063
flat angles P-C4'-P energy: -116.676
tors. eta vs tors. theta energy: -221.986
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: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2516.237392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.237392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.491436 (E_RNA)
where:
Base-Base interactions energy: -1693.825
where: short stacking energy: -743.054
Base-Backbone interact. energy: 1.492
local terms energy: -825.157696
where:
bonds (distance) C4'-P energy: -163.974
bonds (distance) P-C4' energy: -156.831
flat angles C4'-P-C4' energy: -165.569
flat angles P-C4'-P energy: -121.734
tors. eta vs tors. theta energy: -217.048
Dist. restrs. and SS energy: 1.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2524.752757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.752757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.765143 (E_RNA)
where:
Base-Base interactions energy: -1718.750
where: short stacking energy: -724.641
Base-Backbone interact. energy: -3.674
local terms energy: -805.341097
where:
bonds (distance) C4'-P energy: -139.121
bonds (distance) P-C4' energy: -162.691
flat angles C4'-P-C4' energy: -173.934
flat angles P-C4'-P energy: -122.068
tors. eta vs tors. theta energy: -207.527
Dist. restrs. and SS energy: 3.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2336.737314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.737314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.954264 (E_RNA)
where:
Base-Base interactions energy: -1602.238
where: short stacking energy: -673.880
Base-Backbone interact. energy: -3.446
local terms energy: -733.270194
where:
bonds (distance) C4'-P energy: -163.503
bonds (distance) P-C4' energy: -132.874
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -94.445
tors. eta vs tors. theta energy: -182.748
Dist. restrs. and SS energy: 2.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2254.559139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.559139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.253170 (E_RNA)
where:
Base-Base interactions energy: -1527.598
where: short stacking energy: -632.817
Base-Backbone interact. energy: 3.182
local terms energy: -732.837872
where:
bonds (distance) C4'-P energy: -135.157
bonds (distance) P-C4' energy: -140.747
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -125.727
tors. eta vs tors. theta energy: -182.961
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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2083.145393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.145393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.046783 (E_RNA)
where:
Base-Base interactions energy: -1405.379
where: short stacking energy: -601.983
Base-Backbone interact. energy: -0.888
local terms energy: -679.779877
where:
bonds (distance) C4'-P energy: -130.381
bonds (distance) P-C4' energy: -133.288
flat angles C4'-P-C4' energy: -157.793
flat angles P-C4'-P energy: -101.188
tors. eta vs tors. theta energy: -157.130
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: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2001.762077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.762077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.871878 (E_RNA)
where:
Base-Base interactions energy: -1352.329
where: short stacking energy: -594.458
Base-Backbone interact. energy: 1.386
local terms energy: -652.929202
where:
bonds (distance) C4'-P energy: -120.260
bonds (distance) P-C4' energy: -128.365
flat angles C4'-P-C4' energy: -147.771
flat angles P-C4'-P energy: -97.963
tors. eta vs tors. theta energy: -158.571
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1897.221899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.221899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.163165 (E_RNA)
where:
Base-Base interactions energy: -1264.956
where: short stacking energy: -515.965
Base-Backbone interact. energy: 1.574
local terms energy: -637.780415
where:
bonds (distance) C4'-P energy: -140.279
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -149.591
flat angles P-C4'-P energy: -86.875
tors. eta vs tors. theta energy: -126.226
Dist. restrs. and SS energy: 3.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1873.936144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.936144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.110148 (E_RNA)
where:
Base-Base interactions energy: -1286.319
where: short stacking energy: -526.345
Base-Backbone interact. energy: -3.117
local terms energy: -586.674149
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -118.569
flat angles C4'-P-C4' energy: -133.116
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: -138.268
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2874.669170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.669170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.710781 (E_RNA)
where:
Base-Base interactions energy: -1967.563
where: short stacking energy: -831.141
Base-Backbone interact. energy: -5.735
local terms energy: -904.412754
where:
bonds (distance) C4'-P energy: -171.475
bonds (distance) P-C4' energy: -172.265
flat angles C4'-P-C4' energy: -180.403
flat angles P-C4'-P energy: -131.160
tors. eta vs tors. theta energy: -249.110
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: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2808.896984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.896984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.805389 (E_RNA)
where:
Base-Base interactions energy: -1961.800
where: short stacking energy: -817.399
Base-Backbone interact. energy: -1.419
local terms energy: -846.586372
where:
bonds (distance) C4'-P energy: -153.717
bonds (distance) P-C4' energy: -163.463
flat angles C4'-P-C4' energy: -182.333
flat angles P-C4'-P energy: -111.136
tors. eta vs tors. theta energy: -235.937
Dist. restrs. and SS energy: 0.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2517.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.149093 (E_RNA)
where:
Base-Base interactions energy: -1708.446
where: short stacking energy: -758.635
Base-Backbone interact. energy: -3.818
local terms energy: -806.885556
where:
bonds (distance) C4'-P energy: -159.822
bonds (distance) P-C4' energy: -158.213
flat angles C4'-P-C4' energy: -164.734
flat angles P-C4'-P energy: -97.963
tors. eta vs tors. theta energy: -226.154
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: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2525.963786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.963786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.155480 (E_RNA)
where:
Base-Base interactions energy: -1755.996
where: short stacking energy: -750.196
Base-Backbone interact. energy: 1.331
local terms energy: -773.490704
where:
bonds (distance) C4'-P energy: -149.483
bonds (distance) P-C4' energy: -156.100
flat angles C4'-P-C4' energy: -145.588
flat angles P-C4'-P energy: -112.321
tors. eta vs tors. theta energy: -209.998
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2308.266918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.266918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.359757 (E_RNA)
where:
Base-Base interactions energy: -1570.544
where: short stacking energy: -687.932
Base-Backbone interact. energy: -4.033
local terms energy: -737.783612
where:
bonds (distance) C4'-P energy: -129.659
bonds (distance) P-C4' energy: -142.398
flat angles C4'-P-C4' energy: -158.212
flat angles P-C4'-P energy: -116.165
tors. eta vs tors. theta energy: -191.349
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: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2230.328657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.328657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.040559 (E_RNA)
where:
Base-Base interactions energy: -1514.635
where: short stacking energy: -636.230
Base-Backbone interact. energy: 4.602
local terms energy: -723.006922
where:
bonds (distance) C4'-P energy: -136.466
bonds (distance) P-C4' energy: -143.525
flat angles C4'-P-C4' energy: -171.632
flat angles P-C4'-P energy: -100.124
tors. eta vs tors. theta energy: -171.260
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: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2083.746503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.746503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.767023 (E_RNA)
where:
Base-Base interactions energy: -1410.381
where: short stacking energy: -605.459
Base-Backbone interact. energy: 1.485
local terms energy: -675.870186
where:
bonds (distance) C4'-P energy: -123.839
bonds (distance) P-C4' energy: -148.898
flat angles C4'-P-C4' energy: -148.829
flat angles P-C4'-P energy: -100.161
tors. eta vs tors. theta energy: -154.143
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2019.074711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.074711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.090843 (E_RNA)
where:
Base-Base interactions energy: -1394.564
where: short stacking energy: -584.256
Base-Backbone interact. energy: 3.588
local terms energy: -630.114090
where:
bonds (distance) C4'-P energy: -112.377
bonds (distance) P-C4' energy: -136.387
flat angles C4'-P-C4' energy: -151.898
flat angles P-C4'-P energy: -78.291
tors. eta vs tors. theta energy: -151.161
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1882.566938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.566938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.302767 (E_RNA)
where:
Base-Base interactions energy: -1282.124
where: short stacking energy: -539.254
Base-Backbone interact. energy: -2.205
local terms energy: -603.974245
where:
bonds (distance) C4'-P energy: -122.874
bonds (distance) P-C4' energy: -121.755
flat angles C4'-P-C4' energy: -141.371
flat angles P-C4'-P energy: -82.551
tors. eta vs tors. theta energy: -135.424
Dist. restrs. and SS energy: 5.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1841.433573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.433573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.454358 (E_RNA)
where:
Base-Base interactions energy: -1252.246
where: short stacking energy: -525.869
Base-Backbone interact. energy: 1.169
local terms energy: -596.377683
where:
bonds (distance) C4'-P energy: -128.924
bonds (distance) P-C4' energy: -114.782
flat angles C4'-P-C4' energy: -131.010
flat angles P-C4'-P energy: -91.257
tors. eta vs tors. theta energy: -130.406
Dist. restrs. and SS energy: 6.021 (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: 250
Temperature: 0.900000
Total energy: -2875.765249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.765249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.567058 (E_RNA)
where:
Base-Base interactions energy: -2007.254
where: short stacking energy: -857.450
Base-Backbone interact. energy: -1.648
local terms energy: -869.665379
where:
bonds (distance) C4'-P energy: -169.897
bonds (distance) P-C4' energy: -142.989
flat angles C4'-P-C4' energy: -191.102
flat angles P-C4'-P energy: -125.200
tors. eta vs tors. theta energy: -240.478
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: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2790.765538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.765538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.662133 (E_RNA)
where:
Base-Base interactions energy: -1952.266
where: short stacking energy: -797.472
Base-Backbone interact. energy: -1.440
local terms energy: -839.956085
where:
bonds (distance) C4'-P energy: -167.596
bonds (distance) P-C4' energy: -149.867
flat angles C4'-P-C4' energy: -172.095
flat angles P-C4'-P energy: -120.872
tors. eta vs tors. theta energy: -229.526
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2587.325339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.800836 (E_RNA)
where:
Base-Base interactions energy: -1771.303
where: short stacking energy: -761.477
Base-Backbone interact. energy: -1.493
local terms energy: -818.004324
where:
bonds (distance) C4'-P energy: -151.967
bonds (distance) P-C4' energy: -159.640
flat angles C4'-P-C4' energy: -173.580
flat angles P-C4'-P energy: -111.697
tors. eta vs tors. theta energy: -221.120
Dist. restrs. and SS energy: 3.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2456.248593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.248593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.761243 (E_RNA)
where:
Base-Base interactions energy: -1668.915
where: short stacking energy: -719.525
Base-Backbone interact. energy: -3.173
local terms energy: -786.672896
where:
bonds (distance) C4'-P energy: -138.678
bonds (distance) P-C4' energy: -151.271
flat angles C4'-P-C4' energy: -182.083
flat angles P-C4'-P energy: -100.931
tors. eta vs tors. theta energy: -213.710
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2303.073654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.073654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.315475 (E_RNA)
where:
Base-Base interactions energy: -1567.662
where: short stacking energy: -669.514
Base-Backbone interact. energy: 2.356
local terms energy: -740.009731
where:
bonds (distance) C4'-P energy: -144.583
bonds (distance) P-C4' energy: -155.272
flat angles C4'-P-C4' energy: -162.381
flat angles P-C4'-P energy: -102.671
tors. eta vs tors. theta energy: -175.103
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: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2275.475618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.475618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.827781 (E_RNA)
where:
Base-Base interactions energy: -1560.423
where: short stacking energy: -652.981
Base-Backbone interact. energy: -3.141
local terms energy: -715.263679
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -149.501
flat angles C4'-P-C4' energy: -157.363
flat angles P-C4'-P energy: -102.525
tors. eta vs tors. theta energy: -185.925
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: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2072.036941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.036941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.121723 (E_RNA)
where:
Base-Base interactions energy: -1421.488
where: short stacking energy: -601.937
Base-Backbone interact. energy: 2.973
local terms energy: -655.606351
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -136.536
flat angles C4'-P-C4' energy: -152.353
flat angles P-C4'-P energy: -95.683
tors. eta vs tors. theta energy: -152.454
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: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2059.103607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.103607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.794292 (E_RNA)
where:
Base-Base interactions energy: -1400.128
where: short stacking energy: -609.865
Base-Backbone interact. energy: -0.847
local terms energy: -661.819770
where:
bonds (distance) C4'-P energy: -107.409
bonds (distance) P-C4' energy: -150.835
flat angles C4'-P-C4' energy: -153.860
flat angles P-C4'-P energy: -95.623
tors. eta vs tors. theta energy: -154.092
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1928.505871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.505871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.104026 (E_RNA)
where:
Base-Base interactions energy: -1299.337
where: short stacking energy: -544.510
Base-Backbone interact. energy: -5.427
local terms energy: -627.339188
where:
bonds (distance) C4'-P energy: -129.763
bonds (distance) P-C4' energy: -135.024
flat angles C4'-P-C4' energy: -132.728
flat angles P-C4'-P energy: -90.607
tors. eta vs tors. theta energy: -139.217
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1846.506526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.506526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.560456 (E_RNA)
where:
Base-Base interactions energy: -1280.761
where: short stacking energy: -521.963
Base-Backbone interact. energy: -1.990
local terms energy: -576.810260
where:
bonds (distance) C4'-P energy: -115.062
bonds (distance) P-C4' energy: -123.954
flat angles C4'-P-C4' energy: -118.919
flat angles P-C4'-P energy: -91.743
tors. eta vs tors. theta energy: -127.132
Dist. restrs. and SS energy: 13.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2840.760507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.760507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.623592 (E_RNA)
where:
Base-Base interactions energy: -1963.893
where: short stacking energy: -834.095
Base-Backbone interact. energy: -3.414
local terms energy: -875.316971
where:
bonds (distance) C4'-P energy: -156.213
bonds (distance) P-C4' energy: -154.906
flat angles C4'-P-C4' energy: -185.599
flat angles P-C4'-P energy: -126.509
tors. eta vs tors. theta energy: -252.089
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: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2823.311515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.311515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.828459 (E_RNA)
where:
Base-Base interactions energy: -1977.721
where: short stacking energy: -808.333
Base-Backbone interact. energy: 0.715
local terms energy: -847.822636
where:
bonds (distance) C4'-P energy: -143.599
bonds (distance) P-C4' energy: -162.409
flat angles C4'-P-C4' energy: -176.259
flat angles P-C4'-P energy: -128.573
tors. eta vs tors. theta energy: -236.983
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2597.702374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.702374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.300420 (E_RNA)
where:
Base-Base interactions energy: -1778.910
where: short stacking energy: -770.951
Base-Backbone interact. energy: -1.534
local terms energy: -819.856270
where:
bonds (distance) C4'-P energy: -153.808
bonds (distance) P-C4' energy: -132.105
flat angles C4'-P-C4' energy: -175.971
flat angles P-C4'-P energy: -134.860
tors. eta vs tors. theta energy: -223.113
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: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2481.124887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.124887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.869539 (E_RNA)
where:
Base-Base interactions energy: -1693.448
where: short stacking energy: -734.078
Base-Backbone interact. energy: -2.363
local terms energy: -787.058681
where:
bonds (distance) C4'-P energy: -131.993
bonds (distance) P-C4' energy: -146.469
flat angles C4'-P-C4' energy: -166.534
flat angles P-C4'-P energy: -116.073
tors. eta vs tors. theta energy: -225.990
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: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2286.625330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.625330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.884350 (E_RNA)
where:
Base-Base interactions energy: -1539.130
where: short stacking energy: -681.412
Base-Backbone interact. energy: -3.443
local terms energy: -746.310619
where:
bonds (distance) C4'-P energy: -141.323
bonds (distance) P-C4' energy: -147.352
flat angles C4'-P-C4' energy: -161.601
flat angles P-C4'-P energy: -104.898
tors. eta vs tors. theta energy: -191.136
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2284.094763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.094763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.717831 (E_RNA)
where:
Base-Base interactions energy: -1562.476
where: short stacking energy: -686.935
Base-Backbone interact. energy: 1.072
local terms energy: -725.313742
where:
bonds (distance) C4'-P energy: -136.977
bonds (distance) P-C4' energy: -134.520
flat angles C4'-P-C4' energy: -163.406
flat angles P-C4'-P energy: -99.237
tors. eta vs tors. theta energy: -191.173
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: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2021.006135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.006135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.297721 (E_RNA)
where:
Base-Base interactions energy: -1376.763
where: short stacking energy: -593.173
Base-Backbone interact. energy: 3.895
local terms energy: -650.430080
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -116.340
flat angles C4'-P-C4' energy: -172.169
flat angles P-C4'-P energy: -90.994
tors. eta vs tors. theta energy: -150.981
Dist. restrs. and SS energy: 2.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2022.519181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.519181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.564450 (E_RNA)
where:
Base-Base interactions energy: -1397.070
where: short stacking energy: -585.495
Base-Backbone interact. energy: 5.610
local terms energy: -633.104270
where:
bonds (distance) C4'-P energy: -114.205
bonds (distance) P-C4' energy: -158.043
flat angles C4'-P-C4' energy: -131.485
flat angles P-C4'-P energy: -80.490
tors. eta vs tors. theta energy: -148.881
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1933.728086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.728086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.214458 (E_RNA)
where:
Base-Base interactions energy: -1323.429
where: short stacking energy: -561.802
Base-Backbone interact. energy: -2.809
local terms energy: -610.977261
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -117.030
flat angles C4'-P-C4' energy: -136.697
flat angles P-C4'-P energy: -90.246
tors. eta vs tors. theta energy: -139.574
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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1828.693792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.693792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.024254 (E_RNA)
where:
Base-Base interactions energy: -1282.821
where: short stacking energy: -527.081
Base-Backbone interact. energy: 4.810
local terms energy: -556.013924
where:
bonds (distance) C4'-P energy: -121.665
bonds (distance) P-C4' energy: -114.483
flat angles C4'-P-C4' energy: -135.196
flat angles P-C4'-P energy: -71.208
tors. eta vs tors. theta energy: -113.462
Dist. restrs. and SS energy: 5.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2846.668291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.668291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.503935 (E_RNA)
where:
Base-Base interactions energy: -1954.358
where: short stacking energy: -860.841
Base-Backbone interact. energy: -0.146
local terms energy: -895.000075
where:
bonds (distance) C4'-P energy: -157.215
bonds (distance) P-C4' energy: -166.815
flat angles C4'-P-C4' energy: -185.263
flat angles P-C4'-P energy: -130.960
tors. eta vs tors. theta energy: -254.747
Dist. restrs. and SS energy: 2.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2815.663241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.454912 (E_RNA)
where:
Base-Base interactions energy: -1947.953
where: short stacking energy: -839.284
Base-Backbone interact. energy: -4.700
local terms energy: -864.801463
where:
bonds (distance) C4'-P energy: -140.380
bonds (distance) P-C4' energy: -157.750
flat angles C4'-P-C4' energy: -199.223
flat angles P-C4'-P energy: -117.315
tors. eta vs tors. theta energy: -250.133
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: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2594.771103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.771103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.314289 (E_RNA)
where:
Base-Base interactions energy: -1793.476
where: short stacking energy: -733.827
Base-Backbone interact. energy: 3.130
local terms energy: -807.968702
where:
bonds (distance) C4'-P energy: -149.710
bonds (distance) P-C4' energy: -152.048
flat angles C4'-P-C4' energy: -181.423
flat angles P-C4'-P energy: -116.148
tors. eta vs tors. theta energy: -208.640
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: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2437.846365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.846365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.207942 (E_RNA)
where:
Base-Base interactions energy: -1673.251
where: short stacking energy: -732.470
Base-Backbone interact. energy: -0.948
local terms energy: -765.009487
where:
bonds (distance) C4'-P energy: -131.046
bonds (distance) P-C4' energy: -157.960
flat angles C4'-P-C4' energy: -142.426
flat angles P-C4'-P energy: -117.925
tors. eta vs tors. theta energy: -215.651
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2336.761265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.761265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.464649 (E_RNA)
where:
Base-Base interactions energy: -1587.291
where: short stacking energy: -679.016
Base-Backbone interact. energy: 0.252
local terms energy: -751.425953
where:
bonds (distance) C4'-P energy: -150.143
bonds (distance) P-C4' energy: -145.548
flat angles C4'-P-C4' energy: -144.345
flat angles P-C4'-P energy: -119.940
tors. eta vs tors. theta energy: -191.450
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: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2234.329094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.329094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.955506 (E_RNA)
where:
Base-Base interactions energy: -1498.503
where: short stacking energy: -655.517
Base-Backbone interact. energy: -0.030
local terms energy: -737.422555
where:
bonds (distance) C4'-P energy: -136.414
bonds (distance) P-C4' energy: -150.972
flat angles C4'-P-C4' energy: -160.811
flat angles P-C4'-P energy: -103.685
tors. eta vs tors. theta energy: -185.540
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: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2053.515669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.515669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.135658 (E_RNA)
where:
Base-Base interactions energy: -1377.904
where: short stacking energy: -599.207
Base-Backbone interact. energy: 1.842
local terms energy: -679.073601
where:
bonds (distance) C4'-P energy: -146.262
bonds (distance) P-C4' energy: -129.513
flat angles C4'-P-C4' energy: -144.297
flat angles P-C4'-P energy: -100.750
tors. eta vs tors. theta energy: -158.250
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2075.154850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.154850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.262007 (E_RNA)
where:
Base-Base interactions energy: -1416.553
where: short stacking energy: -622.911
Base-Backbone interact. energy: 6.571
local terms energy: -668.279936
where:
bonds (distance) C4'-P energy: -116.765
bonds (distance) P-C4' energy: -143.610
flat angles C4'-P-C4' energy: -165.580
flat angles P-C4'-P energy: -78.544
tors. eta vs tors. theta energy: -163.781
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: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1925.872488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.872488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.540854 (E_RNA)
where:
Base-Base interactions energy: -1282.766
where: short stacking energy: -521.136
Base-Backbone interact. energy: 4.965
local terms energy: -649.739744
where:
bonds (distance) C4'-P energy: -140.999
bonds (distance) P-C4' energy: -153.268
flat angles C4'-P-C4' energy: -148.632
flat angles P-C4'-P energy: -81.135
tors. eta vs tors. theta energy: -125.707
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: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1843.060175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.060175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.955796 (E_RNA)
where:
Base-Base interactions energy: -1246.922
where: short stacking energy: -522.908
Base-Backbone interact. energy: 3.591
local terms energy: -605.625129
where:
bonds (distance) C4'-P energy: -141.207
bonds (distance) P-C4' energy: -127.568
flat angles C4'-P-C4' energy: -131.763
flat angles P-C4'-P energy: -72.536
tors. eta vs tors. theta energy: -132.552
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2851.244345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.244345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.522134 (E_RNA)
where:
Base-Base interactions energy: -1952.675
where: short stacking energy: -854.294
Base-Backbone interact. energy: -6.125
local terms energy: -895.722099
where:
bonds (distance) C4'-P energy: -149.093
bonds (distance) P-C4' energy: -171.433
flat angles C4'-P-C4' energy: -197.232
flat angles P-C4'-P energy: -124.692
tors. eta vs tors. theta energy: -253.273
Dist. restrs. and SS energy: 3.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2831.396114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.396114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.243742 (E_RNA)
where:
Base-Base interactions energy: -1977.655
where: short stacking energy: -811.691
Base-Backbone interact. energy: 1.159
local terms energy: -855.747418
where:
bonds (distance) C4'-P energy: -164.346
bonds (distance) P-C4' energy: -152.787
flat angles C4'-P-C4' energy: -180.389
flat angles P-C4'-P energy: -115.985
tors. eta vs tors. theta energy: -242.241
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2613.393361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.393361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.949719 (E_RNA)
where:
Base-Base interactions energy: -1825.289
where: short stacking energy: -760.816
Base-Backbone interact. energy: -4.260
local terms energy: -786.400606
where:
bonds (distance) C4'-P energy: -150.422
bonds (distance) P-C4' energy: -149.689
flat angles C4'-P-C4' energy: -159.512
flat angles P-C4'-P energy: -126.039
tors. eta vs tors. theta energy: -200.739
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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2497.661468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.661468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.871168 (E_RNA)
where:
Base-Base interactions energy: -1691.320
where: short stacking energy: -749.252
Base-Backbone interact. energy: -1.816
local terms energy: -806.735164
where:
bonds (distance) C4'-P energy: -139.545
bonds (distance) P-C4' energy: -153.663
flat angles C4'-P-C4' energy: -182.269
flat angles P-C4'-P energy: -108.740
tors. eta vs tors. theta energy: -222.518
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: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2354.052947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.052947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.521509 (E_RNA)
where:
Base-Base interactions energy: -1590.488
where: short stacking energy: -678.398
Base-Backbone interact. energy: 0.706
local terms energy: -766.740310
where:
bonds (distance) C4'-P energy: -143.560
bonds (distance) P-C4' energy: -151.193
flat angles C4'-P-C4' energy: -170.851
flat angles P-C4'-P energy: -106.824
tors. eta vs tors. theta energy: -194.313
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: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2234.214425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.214425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.253016 (E_RNA)
where:
Base-Base interactions energy: -1489.921
where: short stacking energy: -652.408
Base-Backbone interact. energy: 0.543
local terms energy: -747.874774
where:
bonds (distance) C4'-P energy: -128.057
bonds (distance) P-C4' energy: -149.449
flat angles C4'-P-C4' energy: -168.510
flat angles P-C4'-P energy: -111.048
tors. eta vs tors. theta energy: -190.811
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: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2106.641156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.641156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.585775 (E_RNA)
where:
Base-Base interactions energy: -1438.650
where: short stacking energy: -604.457
Base-Backbone interact. energy: 0.752
local terms energy: -671.688265
where:
bonds (distance) C4'-P energy: -149.098
bonds (distance) P-C4' energy: -130.271
flat angles C4'-P-C4' energy: -148.205
flat angles P-C4'-P energy: -92.730
tors. eta vs tors. theta energy: -151.385
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: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2053.635239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.635239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.645528 (E_RNA)
where:
Base-Base interactions energy: -1422.027
where: short stacking energy: -588.016
Base-Backbone interact. energy: 1.419
local terms energy: -636.038041
where:
bonds (distance) C4'-P energy: -112.253
bonds (distance) P-C4' energy: -133.887
flat angles C4'-P-C4' energy: -150.595
flat angles P-C4'-P energy: -85.529
tors. eta vs tors. theta energy: -153.774
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: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1901.810652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.810652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.620722 (E_RNA)
where:
Base-Base interactions energy: -1275.206
where: short stacking energy: -551.933
Base-Backbone interact. energy: -1.345
local terms energy: -630.070569
where:
bonds (distance) C4'-P energy: -119.540
bonds (distance) P-C4' energy: -131.155
flat angles C4'-P-C4' energy: -148.920
flat angles P-C4'-P energy: -85.335
tors. eta vs tors. theta energy: -145.120
Dist. restrs. and SS energy: 4.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1870.011098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.011098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.563855 (E_RNA)
where:
Base-Base interactions energy: -1277.246
where: short stacking energy: -540.221
Base-Backbone interact. energy: 0.376
local terms energy: -597.693996
where:
bonds (distance) C4'-P energy: -130.496
bonds (distance) P-C4' energy: -116.218
flat angles C4'-P-C4' energy: -146.257
flat angles P-C4'-P energy: -88.246
tors. eta vs tors. theta energy: -116.477
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2886.558466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.558466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.469999 (E_RNA)
where:
Base-Base interactions energy: -1983.316
where: short stacking energy: -879.649
Base-Backbone interact. energy: -4.531
local terms energy: -900.622306
where:
bonds (distance) C4'-P energy: -148.598
bonds (distance) P-C4' energy: -174.016
flat angles C4'-P-C4' energy: -187.180
flat angles P-C4'-P energy: -124.580
tors. eta vs tors. theta energy: -266.247
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2837.235105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.235105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.679465 (E_RNA)
where:
Base-Base interactions energy: -1979.584
where: short stacking energy: -816.226
Base-Backbone interact. energy: -2.975
local terms energy: -856.121220
where:
bonds (distance) C4'-P energy: -157.439
bonds (distance) P-C4' energy: -145.385
flat angles C4'-P-C4' energy: -180.020
flat angles P-C4'-P energy: -134.773
tors. eta vs tors. theta energy: -238.505
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: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2613.392016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.392016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.994816 (E_RNA)
where:
Base-Base interactions energy: -1801.827
where: short stacking energy: -756.428
Base-Backbone interact. energy: -1.673
local terms energy: -812.494083
where:
bonds (distance) C4'-P energy: -159.080
bonds (distance) P-C4' energy: -137.935
flat angles C4'-P-C4' energy: -170.827
flat angles P-C4'-P energy: -128.727
tors. eta vs tors. theta energy: -215.924
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2439.624302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.624302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.792902 (E_RNA)
where:
Base-Base interactions energy: -1659.940
where: short stacking energy: -708.188
Base-Backbone interact. energy: 0.941
local terms energy: -782.793232
where:
bonds (distance) C4'-P energy: -135.408
bonds (distance) P-C4' energy: -151.175
flat angles C4'-P-C4' energy: -184.436
flat angles P-C4'-P energy: -105.745
tors. eta vs tors. theta energy: -206.030
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2336.837276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.837276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.407450 (E_RNA)
where:
Base-Base interactions energy: -1580.839
where: short stacking energy: -705.781
Base-Backbone interact. energy: -2.561
local terms energy: -755.007604
where:
bonds (distance) C4'-P energy: -139.835
bonds (distance) P-C4' energy: -151.219
flat angles C4'-P-C4' energy: -164.533
flat angles P-C4'-P energy: -95.293
tors. eta vs tors. theta energy: -204.127
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2206.235520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.235520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.412153 (E_RNA)
where:
Base-Base interactions energy: -1471.405
where: short stacking energy: -619.878
Base-Backbone interact. energy: 0.721
local terms energy: -738.728918
where:
bonds (distance) C4'-P energy: -142.214
bonds (distance) P-C4' energy: -155.811
flat angles C4'-P-C4' energy: -142.605
flat angles P-C4'-P energy: -110.165
tors. eta vs tors. theta energy: -187.934
Dist. restrs. and SS energy: 3.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2090.301186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.301186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.726620 (E_RNA)
where:
Base-Base interactions energy: -1424.457
where: short stacking energy: -617.767
Base-Backbone interact. energy: 1.645
local terms energy: -669.915332
where:
bonds (distance) C4'-P energy: -137.742
bonds (distance) P-C4' energy: -124.454
flat angles C4'-P-C4' energy: -149.672
flat angles P-C4'-P energy: -89.758
tors. eta vs tors. theta energy: -168.289
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: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2038.818005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.818005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.168739 (E_RNA)
where:
Base-Base interactions energy: -1387.946
where: short stacking energy: -592.351
Base-Backbone interact. energy: 0.548
local terms energy: -652.771467
where:
bonds (distance) C4'-P energy: -132.751
bonds (distance) P-C4' energy: -134.191
flat angles C4'-P-C4' energy: -146.585
flat angles P-C4'-P energy: -82.895
tors. eta vs tors. theta energy: -156.349
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1914.008639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.008639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.838026 (E_RNA)
where:
Base-Base interactions energy: -1307.610
where: short stacking energy: -532.600
Base-Backbone interact. energy: -0.995
local terms energy: -607.232469
where:
bonds (distance) C4'-P energy: -145.491
bonds (distance) P-C4' energy: -118.304
flat angles C4'-P-C4' energy: -136.673
flat angles P-C4'-P energy: -90.767
tors. eta vs tors. theta energy: -115.998
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: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1853.795118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.795118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.680281 (E_RNA)
where:
Base-Base interactions energy: -1279.668
where: short stacking energy: -517.619
Base-Backbone interact. energy: 1.558
local terms energy: -578.570471
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -129.091
flat angles C4'-P-C4' energy: -147.938
flat angles P-C4'-P energy: -85.690
tors. eta vs tors. theta energy: -109.327
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2866.131569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.131569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.426510 (E_RNA)
where:
Base-Base interactions energy: -1993.757
where: short stacking energy: -835.775
Base-Backbone interact. energy: -3.069
local terms energy: -871.600816
where:
bonds (distance) C4'-P energy: -160.891
bonds (distance) P-C4' energy: -161.310
flat angles C4'-P-C4' energy: -182.612
flat angles P-C4'-P energy: -121.986
tors. eta vs tors. theta energy: -244.801
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2810.485051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.485051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.003015 (E_RNA)
where:
Base-Base interactions energy: -1946.801
where: short stacking energy: -817.761
Base-Backbone interact. energy: 2.512
local terms energy: -867.713925
where:
bonds (distance) C4'-P energy: -157.254
bonds (distance) P-C4' energy: -161.754
flat angles C4'-P-C4' energy: -192.744
flat angles P-C4'-P energy: -112.507
tors. eta vs tors. theta energy: -243.454
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2608.563456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.563456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.135511 (E_RNA)
where:
Base-Base interactions energy: -1801.843
where: short stacking energy: -760.257
Base-Backbone interact. energy: -1.180
local terms energy: -807.112384
where:
bonds (distance) C4'-P energy: -147.776
bonds (distance) P-C4' energy: -150.980
flat angles C4'-P-C4' energy: -163.373
flat angles P-C4'-P energy: -124.663
tors. eta vs tors. theta energy: -220.321
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2425.453400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.453400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.223903 (E_RNA)
where:
Base-Base interactions energy: -1681.814
where: short stacking energy: -716.992
Base-Backbone interact. energy: 4.844
local terms energy: -750.253599
where:
bonds (distance) C4'-P energy: -142.768
bonds (distance) P-C4' energy: -129.754
flat angles C4'-P-C4' energy: -170.131
flat angles P-C4'-P energy: -120.225
tors. eta vs tors. theta energy: -187.375
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2412.156811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.156811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.560797 (E_RNA)
where:
Base-Base interactions energy: -1619.227
where: short stacking energy: -681.672
Base-Backbone interact. energy: -2.095
local terms energy: -793.239181
where:
bonds (distance) C4'-P energy: -148.587
bonds (distance) P-C4' energy: -158.487
flat angles C4'-P-C4' energy: -169.745
flat angles P-C4'-P energy: -109.272
tors. eta vs tors. theta energy: -207.149
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: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2171.415802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.415802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.656167 (E_RNA)
where:
Base-Base interactions energy: -1452.151
where: short stacking energy: -616.642
Base-Backbone interact. energy: -2.974
local terms energy: -718.531239
where:
bonds (distance) C4'-P energy: -142.452
bonds (distance) P-C4' energy: -136.074
flat angles C4'-P-C4' energy: -167.023
flat angles P-C4'-P energy: -109.635
tors. eta vs tors. theta energy: -163.347
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: 255
Temperature: 1.200000
Total energy: -2093.830458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.830458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.798775 (E_RNA)
where:
Base-Base interactions energy: -1436.449
where: short stacking energy: -611.657
Base-Backbone interact. energy: -5.208
local terms energy: -654.141770
where:
bonds (distance) C4'-P energy: -128.707
bonds (distance) P-C4' energy: -141.970
flat angles C4'-P-C4' energy: -144.082
flat angles P-C4'-P energy: -101.645
tors. eta vs tors. theta energy: -137.737
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: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2008.479550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.479550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.865968 (E_RNA)
where:
Base-Base interactions energy: -1372.748
where: short stacking energy: -590.732
Base-Backbone interact. energy: -0.048
local terms energy: -638.069555
where:
bonds (distance) C4'-P energy: -136.532
bonds (distance) P-C4' energy: -111.644
flat angles C4'-P-C4' energy: -148.208
flat angles P-C4'-P energy: -94.488
tors. eta vs tors. theta energy: -147.197
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -2003.324487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.324487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.485917 (E_RNA)
where:
Base-Base interactions energy: -1373.808
where: short stacking energy: -565.133
Base-Backbone interact. energy: 5.196
local terms energy: -636.874029
where:
bonds (distance) C4'-P energy: -134.341
bonds (distance) P-C4' energy: -121.791
flat angles C4'-P-C4' energy: -149.816
flat angles P-C4'-P energy: -79.444
tors. eta vs tors. theta energy: -151.482
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: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -1816.786622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.786622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.344507 (E_RNA)
where:
Base-Base interactions energy: -1238.873
where: short stacking energy: -513.180
Base-Backbone interact. energy: -3.061
local terms energy: -577.410595
where:
bonds (distance) C4'-P energy: -111.187
bonds (distance) P-C4' energy: -138.819
flat angles C4'-P-C4' energy: -134.692
flat angles P-C4'-P energy: -85.062
tors. eta vs tors. theta energy: -107.651
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: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2868.361992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.361992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.568986 (E_RNA)
where:
Base-Base interactions energy: -1964.663
where: short stacking energy: -865.455
Base-Backbone interact. energy: -4.822
local terms energy: -900.084565
where:
bonds (distance) C4'-P energy: -164.977
bonds (distance) P-C4' energy: -165.331
flat angles C4'-P-C4' energy: -189.977
flat angles P-C4'-P energy: -128.932
tors. eta vs tors. theta energy: -250.868
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: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2801.827977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.827977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.986992 (E_RNA)
where:
Base-Base interactions energy: -1972.730
where: short stacking energy: -827.856
Base-Backbone interact. energy: 4.678
local terms energy: -834.934905
where:
bonds (distance) C4'-P energy: -152.560
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -176.037
flat angles P-C4'-P energy: -124.895
tors. eta vs tors. theta energy: -228.352
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2623.349253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.349253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.045302 (E_RNA)
where:
Base-Base interactions energy: -1825.744
where: short stacking energy: -767.291
Base-Backbone interact. energy: 5.660
local terms energy: -804.960950
where:
bonds (distance) C4'-P energy: -149.774
bonds (distance) P-C4' energy: -139.095
flat angles C4'-P-C4' energy: -183.060
flat angles P-C4'-P energy: -118.639
tors. eta vs tors. theta energy: -214.392
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2472.542187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.542187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.873999 (E_RNA)
where:
Base-Base interactions energy: -1706.844
where: short stacking energy: -717.195
Base-Backbone interact. energy: 1.738
local terms energy: -769.767435
where:
bonds (distance) C4'-P energy: -146.271
bonds (distance) P-C4' energy: -149.729
flat angles C4'-P-C4' energy: -167.837
flat angles P-C4'-P energy: -113.066
tors. eta vs tors. theta energy: -192.863
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: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2403.135067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.135067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.319931 (E_RNA)
where:
Base-Base interactions energy: -1628.952
where: short stacking energy: -732.360
Base-Backbone interact. energy: -1.146
local terms energy: -775.222373
where:
bonds (distance) C4'-P energy: -134.007
bonds (distance) P-C4' energy: -145.574
flat angles C4'-P-C4' energy: -166.047
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -216.648
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2220.897020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.897020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.136505 (E_RNA)
where:
Base-Base interactions energy: -1510.622
where: short stacking energy: -627.380
Base-Backbone interact. energy: -2.354
local terms energy: -710.160246
where:
bonds (distance) C4'-P energy: -122.201
bonds (distance) P-C4' energy: -154.840
flat angles C4'-P-C4' energy: -152.613
flat angles P-C4'-P energy: -108.567
tors. eta vs tors. theta energy: -171.940
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: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2052.400806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.400806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.594344 (E_RNA)
where:
Base-Base interactions energy: -1424.485
where: short stacking energy: -604.573
Base-Backbone interact. energy: -0.320
local terms energy: -629.788750
where:
bonds (distance) C4'-P energy: -136.185
bonds (distance) P-C4' energy: -121.866
flat angles C4'-P-C4' energy: -134.981
flat angles P-C4'-P energy: -90.819
tors. eta vs tors. theta energy: -145.936
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: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2052.104457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.104457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.208095 (E_RNA)
where:
Base-Base interactions energy: -1418.544
where: short stacking energy: -597.544
Base-Backbone interact. energy: -0.973
local terms energy: -634.690990
where:
bonds (distance) C4'-P energy: -114.600
bonds (distance) P-C4' energy: -133.091
flat angles C4'-P-C4' energy: -142.080
flat angles P-C4'-P energy: -91.956
tors. eta vs tors. theta energy: -152.963
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1956.843588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.843588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.448011 (E_RNA)
where:
Base-Base interactions energy: -1341.386
where: short stacking energy: -542.054
Base-Backbone interact. energy: 8.120
local terms energy: -625.181300
where:
bonds (distance) C4'-P energy: -125.633
bonds (distance) P-C4' energy: -124.161
flat angles C4'-P-C4' energy: -142.927
flat angles P-C4'-P energy: -94.845
tors. eta vs tors. theta energy: -137.616
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: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1821.403760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.403760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.498232 (E_RNA)
where:
Base-Base interactions energy: -1238.651
where: short stacking energy: -510.455
Base-Backbone interact. energy: -1.827
local terms energy: -586.020220
where:
bonds (distance) C4'-P energy: -109.560
bonds (distance) P-C4' energy: -132.619
flat angles C4'-P-C4' energy: -123.983
flat angles P-C4'-P energy: -86.677
tors. eta vs tors. theta energy: -133.181
Dist. restrs. and SS energy: 5.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2887.578754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.578754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.220634 (E_RNA)
where:
Base-Base interactions energy: -1976.584
where: short stacking energy: -862.121
Base-Backbone interact. energy: -5.195
local terms energy: -907.442064
where:
bonds (distance) C4'-P energy: -156.889
bonds (distance) P-C4' energy: -180.984
flat angles C4'-P-C4' energy: -192.137
flat angles P-C4'-P energy: -129.946
tors. eta vs tors. theta energy: -247.487
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: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2788.235558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.235558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.672568 (E_RNA)
where:
Base-Base interactions energy: -1941.634
where: short stacking energy: -813.087
Base-Backbone interact. energy: -3.484
local terms energy: -844.554787
where:
bonds (distance) C4'-P energy: -150.911
bonds (distance) P-C4' energy: -165.310
flat angles C4'-P-C4' energy: -176.235
flat angles P-C4'-P energy: -111.460
tors. eta vs tors. theta energy: -240.639
Dist. restrs. and SS energy: 1.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2647.234042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.234042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.391983 (E_RNA)
where:
Base-Base interactions energy: -1850.769
where: short stacking energy: -781.522
Base-Backbone interact. energy: -2.663
local terms energy: -794.959480
where:
bonds (distance) C4'-P energy: -143.371
bonds (distance) P-C4' energy: -136.687
flat angles C4'-P-C4' energy: -184.668
flat angles P-C4'-P energy: -111.919
tors. eta vs tors. theta energy: -218.314
Dist. restrs. and SS energy: 1.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2520.987116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.987116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.886600 (E_RNA)
where:
Base-Base interactions energy: -1703.382
where: short stacking energy: -726.390
Base-Backbone interact. energy: -5.188
local terms energy: -814.316159
where:
bonds (distance) C4'-P energy: -162.303
bonds (distance) P-C4' energy: -149.765
flat angles C4'-P-C4' energy: -176.039
flat angles P-C4'-P energy: -117.697
tors. eta vs tors. theta energy: -208.512
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: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2456.993757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.993757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.107315 (E_RNA)
where:
Base-Base interactions energy: -1698.629
where: short stacking energy: -714.368
Base-Backbone interact. energy: 2.526
local terms energy: -763.004543
where:
bonds (distance) C4'-P energy: -137.186
bonds (distance) P-C4' energy: -147.166
flat angles C4'-P-C4' energy: -165.521
flat angles P-C4'-P energy: -109.261
tors. eta vs tors. theta energy: -203.871
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: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2163.709539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.709539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.761224 (E_RNA)
where:
Base-Base interactions energy: -1461.195
where: short stacking energy: -627.393
Base-Backbone interact. energy: -1.984
local terms energy: -702.583044
where:
bonds (distance) C4'-P energy: -139.308
bonds (distance) P-C4' energy: -157.892
flat angles C4'-P-C4' energy: -140.724
flat angles P-C4'-P energy: -94.963
tors. eta vs tors. theta energy: -169.696
Dist. restrs. and SS energy: 2.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2074.788879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.788879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.924779 (E_RNA)
where:
Base-Base interactions energy: -1430.789
where: short stacking energy: -636.407
Base-Backbone interact. energy: 0.637
local terms energy: -646.773056
where:
bonds (distance) C4'-P energy: -111.148
bonds (distance) P-C4' energy: -126.187
flat angles C4'-P-C4' energy: -155.945
flat angles P-C4'-P energy: -81.230
tors. eta vs tors. theta energy: -172.263
Dist. restrs. and SS energy: 2.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2031.801429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.801429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.080762 (E_RNA)
where:
Base-Base interactions energy: -1395.414
where: short stacking energy: -594.245
Base-Backbone interact. energy: -1.128
local terms energy: -637.537984
where:
bonds (distance) C4'-P energy: -130.522
bonds (distance) P-C4' energy: -139.440
flat angles C4'-P-C4' energy: -142.459
flat angles P-C4'-P energy: -78.026
tors. eta vs tors. theta energy: -147.090
Dist. restrs. and SS energy: 2.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1954.860173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.860173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.156309 (E_RNA)
where:
Base-Base interactions energy: -1290.824
where: short stacking energy: -558.257
Base-Backbone interact. energy: -0.449
local terms energy: -667.883134
where:
bonds (distance) C4'-P energy: -143.056
bonds (distance) P-C4' energy: -141.843
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -75.615
tors. eta vs tors. theta energy: -156.792
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1782.857124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.857124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.506650 (E_RNA)
where:
Base-Base interactions energy: -1248.025
where: short stacking energy: -526.606
Base-Backbone interact. energy: 0.039
local terms energy: -541.521160
where:
bonds (distance) C4'-P energy: -99.842
bonds (distance) P-C4' energy: -125.266
flat angles C4'-P-C4' energy: -133.061
flat angles P-C4'-P energy: -67.718
tors. eta vs tors. theta energy: -115.634
Dist. restrs. and SS energy: 6.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2874.483958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.483958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.639821 (E_RNA)
where:
Base-Base interactions energy: -2030.505
where: short stacking energy: -808.669
Base-Backbone interact. energy: 2.259
local terms energy: -847.394050
where:
bonds (distance) C4'-P energy: -150.909
bonds (distance) P-C4' energy: -153.805
flat angles C4'-P-C4' energy: -183.743
flat angles P-C4'-P energy: -128.302
tors. eta vs tors. theta energy: -230.635
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2813.455148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.455148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.490878 (E_RNA)
where:
Base-Base interactions energy: -1949.662
where: short stacking energy: -822.867
Base-Backbone interact. energy: -4.649
local terms energy: -861.180127
where:
bonds (distance) C4'-P energy: -148.749
bonds (distance) P-C4' energy: -150.855
flat angles C4'-P-C4' energy: -187.117
flat angles P-C4'-P energy: -116.975
tors. eta vs tors. theta energy: -257.485
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2665.469275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.469275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.248046 (E_RNA)
where:
Base-Base interactions energy: -1846.587
where: short stacking energy: -772.555
Base-Backbone interact. energy: 4.187
local terms energy: -823.848462
where:
bonds (distance) C4'-P energy: -150.714
bonds (distance) P-C4' energy: -138.273
flat angles C4'-P-C4' energy: -180.030
flat angles P-C4'-P energy: -126.857
tors. eta vs tors. theta energy: -227.974
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2501.191826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.191826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.315083 (E_RNA)
where:
Base-Base interactions energy: -1688.116
where: short stacking energy: -732.810
Base-Backbone interact. energy: -0.745
local terms energy: -813.453404
where:
bonds (distance) C4'-P energy: -147.814
bonds (distance) P-C4' energy: -155.892
flat angles C4'-P-C4' energy: -171.599
flat angles P-C4'-P energy: -118.409
tors. eta vs tors. theta energy: -219.740
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2427.494710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.494710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.201421 (E_RNA)
where:
Base-Base interactions energy: -1684.304
where: short stacking energy: -714.681
Base-Backbone interact. energy: -3.640
local terms energy: -742.257861
where:
bonds (distance) C4'-P energy: -118.087
bonds (distance) P-C4' energy: -137.646
flat angles C4'-P-C4' energy: -170.551
flat angles P-C4'-P energy: -92.942
tors. eta vs tors. theta energy: -223.033
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2168.562132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.562132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.545734 (E_RNA)
where:
Base-Base interactions energy: -1491.278
where: short stacking energy: -632.041
Base-Backbone interact. energy: -3.282
local terms energy: -674.985722
where:
bonds (distance) C4'-P energy: -138.238
bonds (distance) P-C4' energy: -137.632
flat angles C4'-P-C4' energy: -141.145
flat angles P-C4'-P energy: -93.359
tors. eta vs tors. theta energy: -164.611
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: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2100.461113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.461113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.597537 (E_RNA)
where:
Base-Base interactions energy: -1415.900
where: short stacking energy: -621.103
Base-Backbone interact. energy: -3.142
local terms energy: -683.555082
where:
bonds (distance) C4'-P energy: -138.436
bonds (distance) P-C4' energy: -138.636
flat angles C4'-P-C4' energy: -163.785
flat angles P-C4'-P energy: -81.936
tors. eta vs tors. theta energy: -160.763
Dist. restrs. and SS energy: 2.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2027.691062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.691062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.881940 (E_RNA)
where:
Base-Base interactions energy: -1373.487
where: short stacking energy: -602.380
Base-Backbone interact. energy: 2.285
local terms energy: -658.679951
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -138.562
flat angles C4'-P-C4' energy: -142.299
flat angles P-C4'-P energy: -94.927
tors. eta vs tors. theta energy: -158.101
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: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1975.856542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.856542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.714888 (E_RNA)
where:
Base-Base interactions energy: -1328.786
where: short stacking energy: -568.472
Base-Backbone interact. energy: -3.197
local terms energy: -645.731751
where:
bonds (distance) C4'-P energy: -127.479
bonds (distance) P-C4' energy: -142.569
flat angles C4'-P-C4' energy: -152.847
flat angles P-C4'-P energy: -84.070
tors. eta vs tors. theta energy: -138.767
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: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1768.309412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.309412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.020430 (E_RNA)
where:
Base-Base interactions energy: -1201.892
where: short stacking energy: -490.126
Base-Backbone interact. energy: 0.069
local terms energy: -572.197424
where:
bonds (distance) C4'-P energy: -123.273
bonds (distance) P-C4' energy: -127.180
flat angles C4'-P-C4' energy: -133.805
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -114.894
Dist. restrs. and SS energy: 5.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2873.031629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.031629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.807981 (E_RNA)
where:
Base-Base interactions energy: -2014.654
where: short stacking energy: -840.656
Base-Backbone interact. energy: 6.820
local terms energy: -866.974667
where:
bonds (distance) C4'-P energy: -168.314
bonds (distance) P-C4' energy: -163.368
flat angles C4'-P-C4' energy: -187.618
flat angles P-C4'-P energy: -109.347
tors. eta vs tors. theta energy: -238.328
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2821.695669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.695669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.744220 (E_RNA)
where:
Base-Base interactions energy: -1962.540
where: short stacking energy: -849.235
Base-Backbone interact. energy: -3.625
local terms energy: -856.579467
where:
bonds (distance) C4'-P energy: -151.266
bonds (distance) P-C4' energy: -148.481
flat angles C4'-P-C4' energy: -173.993
flat angles P-C4'-P energy: -134.290
tors. eta vs tors. theta energy: -248.550
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: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2647.932910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.932910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.463915 (E_RNA)
where:
Base-Base interactions energy: -1823.827
where: short stacking energy: -765.380
Base-Backbone interact. energy: 0.608
local terms energy: -827.244174
where:
bonds (distance) C4'-P energy: -155.866
bonds (distance) P-C4' energy: -168.123
flat angles C4'-P-C4' energy: -156.829
flat angles P-C4'-P energy: -121.205
tors. eta vs tors. theta energy: -225.222
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: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2475.806418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.806418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.330338 (E_RNA)
where:
Base-Base interactions energy: -1666.044
where: short stacking energy: -713.888
Base-Backbone interact. energy: -0.772
local terms energy: -811.513946
where:
bonds (distance) C4'-P energy: -149.742
bonds (distance) P-C4' energy: -169.455
flat angles C4'-P-C4' energy: -164.090
flat angles P-C4'-P energy: -117.423
tors. eta vs tors. theta energy: -210.805
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: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2393.835881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.835881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.738959 (E_RNA)
where:
Base-Base interactions energy: -1604.233
where: short stacking energy: -692.441
Base-Backbone interact. energy: 2.751
local terms energy: -794.257784
where:
bonds (distance) C4'-P energy: -149.371
bonds (distance) P-C4' energy: -160.030
flat angles C4'-P-C4' energy: -174.680
flat angles P-C4'-P energy: -105.055
tors. eta vs tors. theta energy: -205.122
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: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2166.888112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.888112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.854522 (E_RNA)
where:
Base-Base interactions energy: -1461.940
where: short stacking energy: -616.240
Base-Backbone interact. energy: 0.482
local terms energy: -707.396635
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -148.323
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -110.150
tors. eta vs tors. theta energy: -171.254
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2086.168789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.168789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.931651 (E_RNA)
where:
Base-Base interactions energy: -1393.139
where: short stacking energy: -595.054
Base-Backbone interact. energy: 1.688
local terms energy: -697.480040
where:
bonds (distance) C4'-P energy: -131.998
bonds (distance) P-C4' energy: -149.846
flat angles C4'-P-C4' energy: -154.836
flat angles P-C4'-P energy: -100.686
tors. eta vs tors. theta energy: -160.115
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -2020.722069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.722069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.071310 (E_RNA)
where:
Base-Base interactions energy: -1395.014
where: short stacking energy: -582.584
Base-Backbone interact. energy: 3.676
local terms energy: -630.733648
where:
bonds (distance) C4'-P energy: -125.370
bonds (distance) P-C4' energy: -135.566
flat angles C4'-P-C4' energy: -134.549
flat angles P-C4'-P energy: -83.157
tors. eta vs tors. theta energy: -152.092
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1894.613730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.613730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.948483 (E_RNA)
where:
Base-Base interactions energy: -1285.151
where: short stacking energy: -529.352
Base-Backbone interact. energy: 1.415
local terms energy: -615.212024
where:
bonds (distance) C4'-P energy: -115.521
bonds (distance) P-C4' energy: -121.870
flat angles C4'-P-C4' energy: -152.053
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -121.431
Dist. restrs. and SS energy: 4.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1836.491972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.491972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.668377 (E_RNA)
where:
Base-Base interactions energy: -1267.359
where: short stacking energy: -525.780
Base-Backbone interact. energy: -0.146
local terms energy: -573.163319
where:
bonds (distance) C4'-P energy: -115.629
bonds (distance) P-C4' energy: -119.723
flat angles C4'-P-C4' energy: -124.465
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -135.159
Dist. restrs. and SS energy: 4.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2909.612334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.612334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.389126 (E_RNA)
where:
Base-Base interactions energy: -2035.196
where: short stacking energy: -813.853
Base-Backbone interact. energy: 1.147
local terms energy: -876.340077
where:
bonds (distance) C4'-P energy: -164.144
bonds (distance) P-C4' energy: -166.631
flat angles C4'-P-C4' energy: -182.551
flat angles P-C4'-P energy: -122.438
tors. eta vs tors. theta energy: -240.576
Dist. restrs. and SS energy: 0.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2811.424759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.424759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.035651 (E_RNA)
where:
Base-Base interactions energy: -1945.892
where: short stacking energy: -845.635
Base-Backbone interact. energy: 0.943
local terms energy: -868.086515
where:
bonds (distance) C4'-P energy: -159.052
bonds (distance) P-C4' energy: -153.000
flat angles C4'-P-C4' energy: -187.302
flat angles P-C4'-P energy: -122.435
tors. eta vs tors. theta energy: -246.297
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: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2668.221253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.221253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.820522 (E_RNA)
where:
Base-Base interactions energy: -1840.988
where: short stacking energy: -772.052
Base-Backbone interact. energy: -3.385
local terms energy: -824.447682
where:
bonds (distance) C4'-P energy: -149.803
bonds (distance) P-C4' energy: -161.641
flat angles C4'-P-C4' energy: -181.458
flat angles P-C4'-P energy: -113.275
tors. eta vs tors. theta energy: -218.271
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2535.992085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.992085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.934412 (E_RNA)
where:
Base-Base interactions energy: -1759.348
where: short stacking energy: -740.889
Base-Backbone interact. energy: -2.291
local terms energy: -776.295356
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -155.950
flat angles C4'-P-C4' energy: -158.402
flat angles P-C4'-P energy: -106.941
tors. eta vs tors. theta energy: -223.371
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: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2296.554681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.554681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.662302 (E_RNA)
where:
Base-Base interactions energy: -1607.188
where: short stacking energy: -675.042
Base-Backbone interact. energy: 8.783
local terms energy: -699.257425
where:
bonds (distance) C4'-P energy: -135.749
bonds (distance) P-C4' energy: -132.815
flat angles C4'-P-C4' energy: -155.883
flat angles P-C4'-P energy: -94.963
tors. eta vs tors. theta energy: -179.847
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: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2181.015830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.015830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.473557 (E_RNA)
where:
Base-Base interactions energy: -1473.827
where: short stacking energy: -649.839
Base-Backbone interact. energy: 1.399
local terms energy: -712.046062
where:
bonds (distance) C4'-P energy: -131.543
bonds (distance) P-C4' energy: -147.770
flat angles C4'-P-C4' energy: -164.408
flat angles P-C4'-P energy: -89.377
tors. eta vs tors. theta energy: -178.947
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2074.204587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.204587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.483223 (E_RNA)
where:
Base-Base interactions energy: -1389.439
where: short stacking energy: -577.470
Base-Backbone interact. energy: -3.541
local terms energy: -684.502419
where:
bonds (distance) C4'-P energy: -154.911
bonds (distance) P-C4' energy: -129.115
flat angles C4'-P-C4' energy: -152.967
flat angles P-C4'-P energy: -107.782
tors. eta vs tors. theta energy: -139.727
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: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2012.283717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.283717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.616974 (E_RNA)
where:
Base-Base interactions energy: -1356.307
where: short stacking energy: -597.406
Base-Backbone interact. energy: -4.352
local terms energy: -654.958291
where:
bonds (distance) C4'-P energy: -146.201
bonds (distance) P-C4' energy: -123.932
flat angles C4'-P-C4' energy: -148.070
flat angles P-C4'-P energy: -106.804
tors. eta vs tors. theta energy: -129.951
Dist. restrs. and SS energy: 3.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1963.981457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.981457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.721995 (E_RNA)
where:
Base-Base interactions energy: -1336.408
where: short stacking energy: -570.739
Base-Backbone interact. energy: 2.876
local terms energy: -632.189261
where:
bonds (distance) C4'-P energy: -112.676
bonds (distance) P-C4' energy: -130.052
flat angles C4'-P-C4' energy: -143.416
flat angles P-C4'-P energy: -93.213
tors. eta vs tors. theta energy: -152.832
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: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -1826.214668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.214668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.948499 (E_RNA)
where:
Base-Base interactions energy: -1258.255
where: short stacking energy: -503.672
Base-Backbone interact. energy: -2.066
local terms energy: -569.626962
where:
bonds (distance) C4'-P energy: -115.841
bonds (distance) P-C4' energy: -109.871
flat angles C4'-P-C4' energy: -127.381
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -136.716
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2890.992399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.992399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.534813 (E_RNA)
where:
Base-Base interactions energy: -2017.124
where: short stacking energy: -805.422
Base-Backbone interact. energy: 1.771
local terms energy: -876.181641
where:
bonds (distance) C4'-P energy: -153.926
bonds (distance) P-C4' energy: -163.442
flat angles C4'-P-C4' energy: -186.189
flat angles P-C4'-P energy: -137.908
tors. eta vs tors. theta energy: -234.716
Dist. restrs. and SS energy: 0.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2865.697041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.697041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.417137 (E_RNA)
where:
Base-Base interactions energy: -1985.221
where: short stacking energy: -855.902
Base-Backbone interact. energy: -0.108
local terms energy: -881.088583
where:
bonds (distance) C4'-P energy: -149.184
bonds (distance) P-C4' energy: -160.782
flat angles C4'-P-C4' energy: -191.836
flat angles P-C4'-P energy: -121.640
tors. eta vs tors. theta energy: -257.646
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2655.956389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.956389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.335635 (E_RNA)
where:
Base-Base interactions energy: -1840.251
where: short stacking energy: -771.747
Base-Backbone interact. energy: 2.724
local terms energy: -820.808607
where:
bonds (distance) C4'-P energy: -148.063
bonds (distance) P-C4' energy: -149.152
flat angles C4'-P-C4' energy: -165.006
flat angles P-C4'-P energy: -129.316
tors. eta vs tors. theta energy: -229.272
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: 4, replica: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2499.798009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.798009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.434198 (E_RNA)
where:
Base-Base interactions energy: -1685.336
where: short stacking energy: -722.571
Base-Backbone interact. energy: -2.050
local terms energy: -814.047878
where:
bonds (distance) C4'-P energy: -140.007
bonds (distance) P-C4' energy: -165.129
flat angles C4'-P-C4' energy: -169.874
flat angles P-C4'-P energy: -122.214
tors. eta vs tors. theta energy: -216.825
Dist. restrs. and SS energy: 1.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2311.843889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.843889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.521051 (E_RNA)
where:
Base-Base interactions energy: -1610.675
where: short stacking energy: -693.664
Base-Backbone interact. energy: 3.507
local terms energy: -707.352375
where:
bonds (distance) C4'-P energy: -130.970
bonds (distance) P-C4' energy: -137.757
flat angles C4'-P-C4' energy: -144.542
flat angles P-C4'-P energy: -107.472
tors. eta vs tors. theta energy: -186.611
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2164.189324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.189324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.678460 (E_RNA)
where:
Base-Base interactions energy: -1456.512
where: short stacking energy: -628.202
Base-Backbone interact. energy: -2.165
local terms energy: -708.001661
where:
bonds (distance) C4'-P energy: -130.267
bonds (distance) P-C4' energy: -146.111
flat angles C4'-P-C4' energy: -159.530
flat angles P-C4'-P energy: -110.728
tors. eta vs tors. theta energy: -161.366
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2094.407459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.407459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.989494 (E_RNA)
where:
Base-Base interactions energy: -1410.095
where: short stacking energy: -591.699
Base-Backbone interact. energy: -1.775
local terms energy: -684.118866
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -137.414
flat angles C4'-P-C4' energy: -150.349
flat angles P-C4'-P energy: -106.404
tors. eta vs tors. theta energy: -173.964
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: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2020.053624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.053624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.815270 (E_RNA)
where:
Base-Base interactions energy: -1375.775
where: short stacking energy: -567.366
Base-Backbone interact. energy: 1.621
local terms energy: -647.660599
where:
bonds (distance) C4'-P energy: -116.266
bonds (distance) P-C4' energy: -135.134
flat angles C4'-P-C4' energy: -150.637
flat angles P-C4'-P energy: -97.322
tors. eta vs tors. theta energy: -148.301
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: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1911.152863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.152863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.835315 (E_RNA)
where:
Base-Base interactions energy: -1292.084
where: short stacking energy: -535.149
Base-Backbone interact. energy: -1.135
local terms energy: -620.616129
where:
bonds (distance) C4'-P energy: -117.633
bonds (distance) P-C4' energy: -136.244
flat angles C4'-P-C4' energy: -136.403
flat angles P-C4'-P energy: -95.914
tors. eta vs tors. theta energy: -134.422
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: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -1832.289289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.289289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.675519 (E_RNA)
where:
Base-Base interactions energy: -1283.076
where: short stacking energy: -530.739
Base-Backbone interact. energy: 1.109
local terms energy: -552.708107
where:
bonds (distance) C4'-P energy: -109.102
bonds (distance) P-C4' energy: -143.691
flat angles C4'-P-C4' energy: -121.897
flat angles P-C4'-P energy: -54.664
tors. eta vs tors. theta energy: -123.355
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2885.868921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.868921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.259349 (E_RNA)
where:
Base-Base interactions energy: -1995.401
where: short stacking energy: -825.688
Base-Backbone interact. energy: -0.890
local terms energy: -891.968795
where:
bonds (distance) C4'-P energy: -176.977
bonds (distance) P-C4' energy: -140.044
flat angles C4'-P-C4' energy: -196.945
flat angles P-C4'-P energy: -131.701
tors. eta vs tors. theta energy: -246.302
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: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2834.316705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.316705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.413283 (E_RNA)
where:
Base-Base interactions energy: -1991.727
where: short stacking energy: -818.717
Base-Backbone interact. energy: 6.884
local terms energy: -850.571143
where:
bonds (distance) C4'-P energy: -153.901
bonds (distance) P-C4' energy: -154.550
flat angles C4'-P-C4' energy: -177.721
flat angles P-C4'-P energy: -120.421
tors. eta vs tors. theta energy: -243.979
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: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2656.743576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.743576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.317275 (E_RNA)
where:
Base-Base interactions energy: -1853.364
where: short stacking energy: -771.682
Base-Backbone interact. energy: -0.764
local terms energy: -804.189271
where:
bonds (distance) C4'-P energy: -144.129
bonds (distance) P-C4' energy: -157.426
flat angles C4'-P-C4' energy: -164.824
flat angles P-C4'-P energy: -113.363
tors. eta vs tors. theta energy: -224.448
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: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2459.477601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.477601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.220609 (E_RNA)
where:
Base-Base interactions energy: -1678.338
where: short stacking energy: -707.055
Base-Backbone interact. energy: -1.277
local terms energy: -781.606061
where:
bonds (distance) C4'-P energy: -136.177
bonds (distance) P-C4' energy: -143.277
flat angles C4'-P-C4' energy: -179.743
flat angles P-C4'-P energy: -109.729
tors. eta vs tors. theta energy: -212.680
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: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2331.104847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.104847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.382422 (E_RNA)
where:
Base-Base interactions energy: -1594.736
where: short stacking energy: -694.132
Base-Backbone interact. energy: -4.043
local terms energy: -734.602815
where:
bonds (distance) C4'-P energy: -128.799
bonds (distance) P-C4' energy: -154.773
flat angles C4'-P-C4' energy: -157.983
flat angles P-C4'-P energy: -109.575
tors. eta vs tors. theta energy: -183.473
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: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2148.535994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.535994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.412147 (E_RNA)
where:
Base-Base interactions energy: -1460.065
where: short stacking energy: -616.210
Base-Backbone interact. energy: -0.488
local terms energy: -689.859897
where:
bonds (distance) C4'-P energy: -111.698
bonds (distance) P-C4' energy: -157.638
flat angles C4'-P-C4' energy: -149.843
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -162.181
Dist. restrs. and SS energy: 1.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2154.029301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.029301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.592872 (E_RNA)
where:
Base-Base interactions energy: -1426.450
where: short stacking energy: -628.253
Base-Backbone interact. energy: -0.804
local terms energy: -728.339570
where:
bonds (distance) C4'-P energy: -135.999
bonds (distance) P-C4' energy: -148.325
flat angles C4'-P-C4' energy: -164.376
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -177.292
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: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1985.935977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.935977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.340176 (E_RNA)
where:
Base-Base interactions energy: -1333.823
where: short stacking energy: -562.671
Base-Backbone interact. energy: 0.664
local terms energy: -655.181306
where:
bonds (distance) C4'-P energy: -140.521
bonds (distance) P-C4' energy: -149.328
flat angles C4'-P-C4' energy: -146.001
flat angles P-C4'-P energy: -76.041
tors. eta vs tors. theta energy: -143.290
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: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1884.970650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.970650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.902453 (E_RNA)
where:
Base-Base interactions energy: -1292.962
where: short stacking energy: -553.771
Base-Backbone interact. energy: 1.574
local terms energy: -595.514683
where:
bonds (distance) C4'-P energy: -109.509
bonds (distance) P-C4' energy: -134.555
flat angles C4'-P-C4' energy: -162.509
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: -127.925
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: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -1847.988597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.988597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.141406 (E_RNA)
where:
Base-Base interactions energy: -1252.081
where: short stacking energy: -518.332
Base-Backbone interact. energy: 4.040
local terms energy: -603.100347
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -115.880
flat angles C4'-P-C4' energy: -130.707
flat angles P-C4'-P energy: -92.454
tors. eta vs tors. theta energy: -129.018
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: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2872.476355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.476355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.648514 (E_RNA)
where:
Base-Base interactions energy: -2018.883
where: short stacking energy: -859.385
Base-Backbone interact. energy: -5.555
local terms energy: -849.210221
where:
bonds (distance) C4'-P energy: -159.074
bonds (distance) P-C4' energy: -154.660
flat angles C4'-P-C4' energy: -173.806
flat angles P-C4'-P energy: -122.269
tors. eta vs tors. theta energy: -239.403
Dist. restrs. and SS energy: 1.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2831.087364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.087364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.038116 (E_RNA)
where:
Base-Base interactions energy: -1981.403
where: short stacking energy: -811.004
Base-Backbone interact. energy: 4.751
local terms energy: -856.385760
where:
bonds (distance) C4'-P energy: -156.060
bonds (distance) P-C4' energy: -144.097
flat angles C4'-P-C4' energy: -180.249
flat angles P-C4'-P energy: -134.732
tors. eta vs tors. theta energy: -241.248
Dist. restrs. and SS energy: 1.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2646.417445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.417445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.086900 (E_RNA)
where:
Base-Base interactions energy: -1836.211
where: short stacking energy: -747.878
Base-Backbone interact. energy: 2.051
local terms energy: -813.927111
where:
bonds (distance) C4'-P energy: -144.000
bonds (distance) P-C4' energy: -141.126
flat angles C4'-P-C4' energy: -189.319
flat angles P-C4'-P energy: -118.869
tors. eta vs tors. theta energy: -220.613
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2500.730257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.730257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.874359 (E_RNA)
where:
Base-Base interactions energy: -1665.132
where: short stacking energy: -740.547
Base-Backbone interact. energy: -2.386
local terms energy: -835.356495
where:
bonds (distance) C4'-P energy: -160.173
bonds (distance) P-C4' energy: -151.596
flat angles C4'-P-C4' energy: -178.728
flat angles P-C4'-P energy: -113.893
tors. eta vs tors. theta energy: -230.966
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2337.071381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.071381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.148968 (E_RNA)
where:
Base-Base interactions energy: -1598.173
where: short stacking energy: -666.064
Base-Backbone interact. energy: 0.118
local terms energy: -741.093900
where:
bonds (distance) C4'-P energy: -157.526
bonds (distance) P-C4' energy: -142.832
flat angles C4'-P-C4' energy: -165.829
flat angles P-C4'-P energy: -94.886
tors. eta vs tors. theta energy: -180.021
Dist. restrs. and SS energy: 2.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2162.131009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.131009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.961961 (E_RNA)
where:
Base-Base interactions energy: -1470.239
where: short stacking energy: -630.944
Base-Backbone interact. energy: -2.901
local terms energy: -690.822314
where:
bonds (distance) C4'-P energy: -144.326
bonds (distance) P-C4' energy: -115.916
flat angles C4'-P-C4' energy: -163.444
flat angles P-C4'-P energy: -99.114
tors. eta vs tors. theta energy: -168.022
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2085.658736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.658736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.821577 (E_RNA)
where:
Base-Base interactions energy: -1402.119
where: short stacking energy: -601.837
Base-Backbone interact. energy: -2.035
local terms energy: -687.668174
where:
bonds (distance) C4'-P energy: -150.932
bonds (distance) P-C4' energy: -131.248
flat angles C4'-P-C4' energy: -151.342
flat angles P-C4'-P energy: -98.732
tors. eta vs tors. theta energy: -155.414
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1994.645025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.645025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.821544 (E_RNA)
where:
Base-Base interactions energy: -1353.566
where: short stacking energy: -579.597
Base-Backbone interact. energy: 1.506
local terms energy: -644.761258
where:
bonds (distance) C4'-P energy: -122.536
bonds (distance) P-C4' energy: -133.562
flat angles C4'-P-C4' energy: -145.672
flat angles P-C4'-P energy: -94.754
tors. eta vs tors. theta energy: -148.236
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: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1947.966205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.966205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.520261 (E_RNA)
where:
Base-Base interactions energy: -1300.037
where: short stacking energy: -539.156
Base-Backbone interact. energy: 2.865
local terms energy: -654.348077
where:
bonds (distance) C4'-P energy: -124.722
bonds (distance) P-C4' energy: -140.675
flat angles C4'-P-C4' energy: -146.829
flat angles P-C4'-P energy: -107.114
tors. eta vs tors. theta energy: -135.007
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: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1840.373127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.373127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.727848 (E_RNA)
where:
Base-Base interactions energy: -1258.820
where: short stacking energy: -534.353
Base-Backbone interact. energy: -2.226
local terms energy: -581.681093
where:
bonds (distance) C4'-P energy: -112.512
bonds (distance) P-C4' energy: -143.387
flat angles C4'-P-C4' energy: -129.932
flat angles P-C4'-P energy: -76.356
tors. eta vs tors. theta energy: -119.494
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2879.656491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.656491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.005346 (E_RNA)
where:
Base-Base interactions energy: -2002.453
where: short stacking energy: -842.901
Base-Backbone interact. energy: -3.083
local terms energy: -875.468642
where:
bonds (distance) C4'-P energy: -160.305
bonds (distance) P-C4' energy: -155.649
flat angles C4'-P-C4' energy: -191.826
flat angles P-C4'-P energy: -118.817
tors. eta vs tors. theta energy: -248.872
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2803.281654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.281654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.662581 (E_RNA)
where:
Base-Base interactions energy: -1949.715
where: short stacking energy: -809.304
Base-Backbone interact. energy: 6.386
local terms energy: -862.334213
where:
bonds (distance) C4'-P energy: -160.224
bonds (distance) P-C4' energy: -175.743
flat angles C4'-P-C4' energy: -179.071
flat angles P-C4'-P energy: -111.051
tors. eta vs tors. theta energy: -236.245
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: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2718.087029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.087029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.620736 (E_RNA)
where:
Base-Base interactions energy: -1878.268
where: short stacking energy: -813.385
Base-Backbone interact. energy: -0.211
local terms energy: -841.141749
where:
bonds (distance) C4'-P energy: -159.909
bonds (distance) P-C4' energy: -154.656
flat angles C4'-P-C4' energy: -176.591
flat angles P-C4'-P energy: -119.369
tors. eta vs tors. theta energy: -230.616
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: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2478.945174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.945174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.138971 (E_RNA)
where:
Base-Base interactions energy: -1671.392
where: short stacking energy: -722.181
Base-Backbone interact. energy: -2.822
local terms energy: -806.925541
where:
bonds (distance) C4'-P energy: -152.171
bonds (distance) P-C4' energy: -146.821
flat angles C4'-P-C4' energy: -159.421
flat angles P-C4'-P energy: -127.781
tors. eta vs tors. theta energy: -220.732
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: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2356.837356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.837356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.440160 (E_RNA)
where:
Base-Base interactions energy: -1588.168
where: short stacking energy: -702.587
Base-Backbone interact. energy: -3.671
local terms energy: -767.601464
where:
bonds (distance) C4'-P energy: -162.707
bonds (distance) P-C4' energy: -142.261
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -100.615
tors. eta vs tors. theta energy: -189.746
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2172.549575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.549575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.585455 (E_RNA)
where:
Base-Base interactions energy: -1436.517
where: short stacking energy: -628.602
Base-Backbone interact. energy: 0.153
local terms energy: -738.221438
where:
bonds (distance) C4'-P energy: -135.803
bonds (distance) P-C4' energy: -169.542
flat angles C4'-P-C4' energy: -158.773
flat angles P-C4'-P energy: -109.660
tors. eta vs tors. theta energy: -164.444
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: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2135.618262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.618262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.167656 (E_RNA)
where:
Base-Base interactions energy: -1456.527
where: short stacking energy: -630.462
Base-Backbone interact. energy: 3.569
local terms energy: -685.209789
where:
bonds (distance) C4'-P energy: -131.214
bonds (distance) P-C4' energy: -138.738
flat angles C4'-P-C4' energy: -133.452
flat angles P-C4'-P energy: -110.309
tors. eta vs tors. theta energy: -171.496
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2017.596068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.596068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.761987 (E_RNA)
where:
Base-Base interactions energy: -1365.123
where: short stacking energy: -567.569
Base-Backbone interact. energy: -1.040
local terms energy: -653.599398
where:
bonds (distance) C4'-P energy: -128.234
bonds (distance) P-C4' energy: -148.695
flat angles C4'-P-C4' energy: -127.938
flat angles P-C4'-P energy: -102.738
tors. eta vs tors. theta energy: -145.995
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1919.519410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.519410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.466369 (E_RNA)
where:
Base-Base interactions energy: -1310.016
where: short stacking energy: -563.250
Base-Backbone interact. energy: 2.553
local terms energy: -615.003379
where:
bonds (distance) C4'-P energy: -132.595
bonds (distance) P-C4' energy: -117.032
flat angles C4'-P-C4' energy: -152.387
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -133.728
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: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1877.736039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.736039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.133923 (E_RNA)
where:
Base-Base interactions energy: -1266.318
where: short stacking energy: -534.187
Base-Backbone interact. energy: -1.132
local terms energy: -614.683788
where:
bonds (distance) C4'-P energy: -119.435
bonds (distance) P-C4' energy: -124.469
flat angles C4'-P-C4' energy: -136.059
flat angles P-C4'-P energy: -100.292
tors. eta vs tors. theta energy: -134.428
Dist. restrs. and SS energy: 4.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2880.850541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.850541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.623279 (E_RNA)
where:
Base-Base interactions energy: -2012.907
where: short stacking energy: -852.795
Base-Backbone interact. energy: -3.460
local terms energy: -867.255974
where:
bonds (distance) C4'-P energy: -146.876
bonds (distance) P-C4' energy: -160.721
flat angles C4'-P-C4' energy: -175.337
flat angles P-C4'-P energy: -131.567
tors. eta vs tors. theta energy: -252.755
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2788.094956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.094956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.326589 (E_RNA)
where:
Base-Base interactions energy: -1970.771
where: short stacking energy: -822.110
Base-Backbone interact. energy: 5.139
local terms energy: -823.694814
where:
bonds (distance) C4'-P energy: -153.252
bonds (distance) P-C4' energy: -152.371
flat angles C4'-P-C4' energy: -163.971
flat angles P-C4'-P energy: -121.819
tors. eta vs tors. theta energy: -232.281
Dist. restrs. and SS energy: 1.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2668.457349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.457349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.708248 (E_RNA)
where:
Base-Base interactions energy: -1834.684
where: short stacking energy: -771.145
Base-Backbone interact. energy: 1.077
local terms energy: -836.101006
where:
bonds (distance) C4'-P energy: -145.930
bonds (distance) P-C4' energy: -145.933
flat angles C4'-P-C4' energy: -188.122
flat angles P-C4'-P energy: -126.161
tors. eta vs tors. theta energy: -229.956
Dist. restrs. and SS energy: 1.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2440.592758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.592758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.458411 (E_RNA)
where:
Base-Base interactions energy: -1653.298
where: short stacking energy: -732.011
Base-Backbone interact. energy: 0.884
local terms energy: -790.044870
where:
bonds (distance) C4'-P energy: -146.739
bonds (distance) P-C4' energy: -145.694
flat angles C4'-P-C4' energy: -169.154
flat angles P-C4'-P energy: -115.285
tors. eta vs tors. theta energy: -213.173
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: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2372.009493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.009493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.373715 (E_RNA)
where:
Base-Base interactions energy: -1646.934
where: short stacking energy: -679.403
Base-Backbone interact. energy: 3.289
local terms energy: -730.728960
where:
bonds (distance) C4'-P energy: -135.799
bonds (distance) P-C4' energy: -153.688
flat angles C4'-P-C4' energy: -156.786
flat angles P-C4'-P energy: -86.969
tors. eta vs tors. theta energy: -197.487
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2221.605447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.605447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.213277 (E_RNA)
where:
Base-Base interactions energy: -1491.016
where: short stacking energy: -637.341
Base-Backbone interact. energy: -0.970
local terms energy: -731.227218
where:
bonds (distance) C4'-P energy: -129.861
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -168.026
flat angles P-C4'-P energy: -111.734
tors. eta vs tors. theta energy: -177.179
Dist. restrs. and SS energy: 1.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2112.499981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.273995 (E_RNA)
where:
Base-Base interactions energy: -1389.888
where: short stacking energy: -613.219
Base-Backbone interact. energy: 4.403
local terms energy: -729.788427
where:
bonds (distance) C4'-P energy: -139.786
bonds (distance) P-C4' energy: -143.044
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -112.405
tors. eta vs tors. theta energy: -175.526
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2060.504671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.504671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.056701 (E_RNA)
where:
Base-Base interactions energy: -1371.239
where: short stacking energy: -574.885
Base-Backbone interact. energy: -0.004
local terms energy: -691.813851
where:
bonds (distance) C4'-P energy: -136.677
bonds (distance) P-C4' energy: -155.739
flat angles C4'-P-C4' energy: -150.153
flat angles P-C4'-P energy: -85.626
tors. eta vs tors. theta energy: -163.619
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: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1928.071815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.071815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.055253 (E_RNA)
where:
Base-Base interactions energy: -1300.138
where: short stacking energy: -546.379
Base-Backbone interact. energy: 2.387
local terms energy: -633.303373
where:
bonds (distance) C4'-P energy: -131.483
bonds (distance) P-C4' energy: -116.458
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -140.493
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: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1903.791067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.791067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.431612 (E_RNA)
where:
Base-Base interactions energy: -1266.522
where: short stacking energy: -524.018
Base-Backbone interact. energy: -0.429
local terms energy: -639.480685
where:
bonds (distance) C4'-P energy: -123.363
bonds (distance) P-C4' energy: -124.934
flat angles C4'-P-C4' energy: -152.728
flat angles P-C4'-P energy: -88.616
tors. eta vs tors. theta energy: -149.840
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2858.606250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.606250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.573454 (E_RNA)
where:
Base-Base interactions energy: -1983.227
where: short stacking energy: -826.378
Base-Backbone interact. energy: 2.094
local terms energy: -879.440877
where:
bonds (distance) C4'-P energy: -162.819
bonds (distance) P-C4' energy: -156.168
flat angles C4'-P-C4' energy: -189.549
flat angles P-C4'-P energy: -132.062
tors. eta vs tors. theta energy: -238.842
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: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2851.612009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.612009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.424366 (E_RNA)
where:
Base-Base interactions energy: -1997.434
where: short stacking energy: -831.202
Base-Backbone interact. energy: -4.388
local terms energy: -852.601983
where:
bonds (distance) C4'-P energy: -145.484
bonds (distance) P-C4' energy: -153.644
flat angles C4'-P-C4' energy: -177.447
flat angles P-C4'-P energy: -128.236
tors. eta vs tors. theta energy: -247.791
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2681.679906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.679906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.459120 (E_RNA)
where:
Base-Base interactions energy: -1838.137
where: short stacking energy: -782.281
Base-Backbone interact. energy: -2.661
local terms energy: -842.661225
where:
bonds (distance) C4'-P energy: -154.825
bonds (distance) P-C4' energy: -162.304
flat angles C4'-P-C4' energy: -181.756
flat angles P-C4'-P energy: -120.929
tors. eta vs tors. theta energy: -222.848
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: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2463.256561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.256561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.452383 (E_RNA)
where:
Base-Base interactions energy: -1649.085
where: short stacking energy: -719.329
Base-Backbone interact. energy: -0.323
local terms energy: -816.044034
where:
bonds (distance) C4'-P energy: -148.641
bonds (distance) P-C4' energy: -161.894
flat angles C4'-P-C4' energy: -172.024
flat angles P-C4'-P energy: -121.774
tors. eta vs tors. theta energy: -211.711
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: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2430.882823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.882823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.281000 (E_RNA)
where:
Base-Base interactions energy: -1695.532
where: short stacking energy: -682.384
Base-Backbone interact. energy: 3.825
local terms energy: -740.574048
where:
bonds (distance) C4'-P energy: -134.621
bonds (distance) P-C4' energy: -138.005
flat angles C4'-P-C4' energy: -165.555
flat angles P-C4'-P energy: -107.621
tors. eta vs tors. theta energy: -194.772
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: 266
Temperature: 1.150000
Total energy: -2212.387647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.387647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.600490 (E_RNA)
where:
Base-Base interactions energy: -1478.538
where: short stacking energy: -642.879
Base-Backbone interact. energy: 3.981
local terms energy: -740.043423
where:
bonds (distance) C4'-P energy: -154.094
bonds (distance) P-C4' energy: -131.734
flat angles C4'-P-C4' energy: -156.616
flat angles P-C4'-P energy: -107.366
tors. eta vs tors. theta energy: -190.233
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2100.564032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.564032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.099353 (E_RNA)
where:
Base-Base interactions energy: -1427.549
where: short stacking energy: -575.564
Base-Backbone interact. energy: -1.224
local terms energy: -674.326456
where:
bonds (distance) C4'-P energy: -144.734
bonds (distance) P-C4' energy: -147.831
flat angles C4'-P-C4' energy: -150.918
flat angles P-C4'-P energy: -92.947
tors. eta vs tors. theta energy: -137.896
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: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1982.367493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.299465 (E_RNA)
where:
Base-Base interactions energy: -1338.875
where: short stacking energy: -550.569
Base-Backbone interact. energy: -0.142
local terms energy: -646.283095
where:
bonds (distance) C4'-P energy: -130.989
bonds (distance) P-C4' energy: -132.179
flat angles C4'-P-C4' energy: -153.009
flat angles P-C4'-P energy: -100.151
tors. eta vs tors. theta energy: -129.955
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: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1964.531257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.531257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.325880 (E_RNA)
where:
Base-Base interactions energy: -1327.703
where: short stacking energy: -557.547
Base-Backbone interact. energy: -2.970
local terms energy: -636.652334
where:
bonds (distance) C4'-P energy: -127.193
bonds (distance) P-C4' energy: -140.047
flat angles C4'-P-C4' energy: -129.537
flat angles P-C4'-P energy: -97.589
tors. eta vs tors. theta energy: -142.287
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: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1917.851015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.851015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.532900 (E_RNA)
where:
Base-Base interactions energy: -1289.374
where: short stacking energy: -540.760
Base-Backbone interact. energy: -2.769
local terms energy: -628.389922
where:
bonds (distance) C4'-P energy: -133.879
bonds (distance) P-C4' energy: -138.091
flat angles C4'-P-C4' energy: -136.706
flat angles P-C4'-P energy: -74.864
tors. eta vs tors. theta energy: -144.851
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: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2845.077718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.077718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.706974 (E_RNA)
where:
Base-Base interactions energy: -1980.786
where: short stacking energy: -797.314
Base-Backbone interact. energy: -1.572
local terms energy: -864.349436
where:
bonds (distance) C4'-P energy: -148.618
bonds (distance) P-C4' energy: -167.951
flat angles C4'-P-C4' energy: -186.285
flat angles P-C4'-P energy: -125.088
tors. eta vs tors. theta energy: -236.407
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: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2833.577733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.577733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.949864 (E_RNA)
where:
Base-Base interactions energy: -1992.905
where: short stacking energy: -820.494
Base-Backbone interact. energy: 2.326
local terms energy: -846.370587
where:
bonds (distance) C4'-P energy: -147.802
bonds (distance) P-C4' energy: -168.237
flat angles C4'-P-C4' energy: -167.759
flat angles P-C4'-P energy: -122.311
tors. eta vs tors. theta energy: -240.262
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2662.477886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.477886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.805859 (E_RNA)
where:
Base-Base interactions energy: -1802.413
where: short stacking energy: -784.355
Base-Backbone interact. energy: -2.913
local terms energy: -859.480097
where:
bonds (distance) C4'-P energy: -173.999
bonds (distance) P-C4' energy: -151.238
flat angles C4'-P-C4' energy: -166.586
flat angles P-C4'-P energy: -134.801
tors. eta vs tors. theta energy: -232.857
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2480.859548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.859548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.339056 (E_RNA)
where:
Base-Base interactions energy: -1683.115
where: short stacking energy: -728.782
Base-Backbone interact. energy: 1.087
local terms energy: -800.311887
where:
bonds (distance) C4'-P energy: -152.495
bonds (distance) P-C4' energy: -141.303
flat angles C4'-P-C4' energy: -179.527
flat angles P-C4'-P energy: -120.960
tors. eta vs tors. theta energy: -206.027
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: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2410.818669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.818669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.433345 (E_RNA)
where:
Base-Base interactions energy: -1678.881
where: short stacking energy: -695.423
Base-Backbone interact. energy: 3.850
local terms energy: -738.401741
where:
bonds (distance) C4'-P energy: -125.232
bonds (distance) P-C4' energy: -141.290
flat angles C4'-P-C4' energy: -164.137
flat angles P-C4'-P energy: -117.035
tors. eta vs tors. theta energy: -190.707
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2198.205477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.205477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.996388 (E_RNA)
where:
Base-Base interactions energy: -1467.405
where: short stacking energy: -612.661
Base-Backbone interact. energy: 4.254
local terms energy: -736.846080
where:
bonds (distance) C4'-P energy: -143.665
bonds (distance) P-C4' energy: -143.692
flat angles C4'-P-C4' energy: -159.884
flat angles P-C4'-P energy: -122.892
tors. eta vs tors. theta energy: -166.713
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: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2090.183887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.183887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.772559 (E_RNA)
where:
Base-Base interactions energy: -1437.505
where: short stacking energy: -625.414
Base-Backbone interact. energy: 0.254
local terms energy: -655.521000
where:
bonds (distance) C4'-P energy: -129.093
bonds (distance) P-C4' energy: -107.654
flat angles C4'-P-C4' energy: -154.053
flat angles P-C4'-P energy: -105.990
tors. eta vs tors. theta energy: -158.730
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: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2018.357955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.357955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.770674 (E_RNA)
where:
Base-Base interactions energy: -1396.163
where: short stacking energy: -565.198
Base-Backbone interact. energy: -0.864
local terms energy: -622.743849
where:
bonds (distance) C4'-P energy: -130.056
bonds (distance) P-C4' energy: -109.273
flat angles C4'-P-C4' energy: -151.947
flat angles P-C4'-P energy: -86.905
tors. eta vs tors. theta energy: -144.562
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: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1968.121679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.121679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.812754 (E_RNA)
where:
Base-Base interactions energy: -1355.176
where: short stacking energy: -602.656
Base-Backbone interact. energy: -2.319
local terms energy: -616.317971
where:
bonds (distance) C4'-P energy: -122.800
bonds (distance) P-C4' energy: -129.217
flat angles C4'-P-C4' energy: -140.121
flat angles P-C4'-P energy: -92.290
tors. eta vs tors. theta energy: -131.889
Dist. restrs. and SS energy: 5.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1844.914187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.914187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.406659 (E_RNA)
where:
Base-Base interactions energy: -1287.460
where: short stacking energy: -558.599
Base-Backbone interact. energy: 3.768
local terms energy: -572.714667
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -118.202
flat angles C4'-P-C4' energy: -134.485
flat angles P-C4'-P energy: -74.829
tors. eta vs tors. theta energy: -125.229
Dist. restrs. and SS energy: 11.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2904.223114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.223114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.198990 (E_RNA)
where:
Base-Base interactions energy: -2029.324
where: short stacking energy: -830.038
Base-Backbone interact. energy: -1.988
local terms energy: -873.886534
where:
bonds (distance) C4'-P energy: -159.445
bonds (distance) P-C4' energy: -154.505
flat angles C4'-P-C4' energy: -189.404
flat angles P-C4'-P energy: -130.405
tors. eta vs tors. theta energy: -240.127
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: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2810.299133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.299133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.388281 (E_RNA)
where:
Base-Base interactions energy: -1951.044
where: short stacking energy: -828.432
Base-Backbone interact. energy: -4.014
local terms energy: -858.329444
where:
bonds (distance) C4'-P energy: -152.186
bonds (distance) P-C4' energy: -157.364
flat angles C4'-P-C4' energy: -172.672
flat angles P-C4'-P energy: -128.640
tors. eta vs tors. theta energy: -247.466
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2659.927080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.927080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.760669 (E_RNA)
where:
Base-Base interactions energy: -1847.947
where: short stacking energy: -769.926
Base-Backbone interact. energy: -4.439
local terms energy: -808.375012
where:
bonds (distance) C4'-P energy: -148.276
bonds (distance) P-C4' energy: -154.396
flat angles C4'-P-C4' energy: -167.264
flat angles P-C4'-P energy: -115.044
tors. eta vs tors. theta energy: -223.395
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2429.241036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.241036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.417679 (E_RNA)
where:
Base-Base interactions energy: -1650.734
where: short stacking energy: -706.972
Base-Backbone interact. energy: 0.586
local terms energy: -781.270485
where:
bonds (distance) C4'-P energy: -154.513
bonds (distance) P-C4' energy: -153.172
flat angles C4'-P-C4' energy: -164.854
flat angles P-C4'-P energy: -103.871
tors. eta vs tors. theta energy: -204.860
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: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2379.569966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.569966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.980004 (E_RNA)
where:
Base-Base interactions energy: -1624.028
where: short stacking energy: -678.001
Base-Backbone interact. energy: -4.707
local terms energy: -753.244568
where:
bonds (distance) C4'-P energy: -149.189
bonds (distance) P-C4' energy: -148.822
flat angles C4'-P-C4' energy: -172.641
flat angles P-C4'-P energy: -97.201
tors. eta vs tors. theta energy: -185.391
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: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2213.555371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.555371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.990984 (E_RNA)
where:
Base-Base interactions energy: -1501.847
where: short stacking energy: -639.696
Base-Backbone interact. energy: -0.354
local terms energy: -713.790069
where:
bonds (distance) C4'-P energy: -117.175
bonds (distance) P-C4' energy: -150.217
flat angles C4'-P-C4' energy: -155.600
flat angles P-C4'-P energy: -111.496
tors. eta vs tors. theta energy: -179.301
Dist. restrs. and SS energy: 2.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2127.110524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.110524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.437214 (E_RNA)
where:
Base-Base interactions energy: -1439.728
where: short stacking energy: -632.294
Base-Backbone interact. energy: -1.001
local terms energy: -689.707929
where:
bonds (distance) C4'-P energy: -141.595
bonds (distance) P-C4' energy: -123.804
flat angles C4'-P-C4' energy: -151.542
flat angles P-C4'-P energy: -100.216
tors. eta vs tors. theta energy: -172.550
Dist. restrs. and SS energy: 3.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1984.984818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.984818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.531120 (E_RNA)
where:
Base-Base interactions energy: -1333.347
where: short stacking energy: -569.573
Base-Backbone interact. energy: -1.926
local terms energy: -652.257244
where:
bonds (distance) C4'-P energy: -146.552
bonds (distance) P-C4' energy: -119.857
flat angles C4'-P-C4' energy: -140.349
flat angles P-C4'-P energy: -90.578
tors. eta vs tors. theta energy: -154.921
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1949.289984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.289984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.093048 (E_RNA)
where:
Base-Base interactions energy: -1328.352
where: short stacking energy: -560.672
Base-Backbone interact. energy: 0.302
local terms energy: -626.042652
where:
bonds (distance) C4'-P energy: -124.956
bonds (distance) P-C4' energy: -124.467
flat angles C4'-P-C4' energy: -144.222
flat angles P-C4'-P energy: -83.635
tors. eta vs tors. theta energy: -148.763
Dist. restrs. and SS energy: 4.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1883.626620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.626620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.600712 (E_RNA)
where:
Base-Base interactions energy: -1286.161
where: short stacking energy: -521.122
Base-Backbone interact. energy: -0.835
local terms energy: -599.604587
where:
bonds (distance) C4'-P energy: -131.838
bonds (distance) P-C4' energy: -121.611
flat angles C4'-P-C4' energy: -131.971
flat angles P-C4'-P energy: -86.758
tors. eta vs tors. theta energy: -127.426
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: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2881.488445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.488445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.234288 (E_RNA)
where:
Base-Base interactions energy: -2002.308
where: short stacking energy: -814.196
Base-Backbone interact. energy: 2.253
local terms energy: -882.179421
where:
bonds (distance) C4'-P energy: -177.908
bonds (distance) P-C4' energy: -167.742
flat angles C4'-P-C4' energy: -176.403
flat angles P-C4'-P energy: -122.806
tors. eta vs tors. theta energy: -237.321
Dist. restrs. and SS energy: 0.746 (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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2814.252166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.252166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.271866 (E_RNA)
where:
Base-Base interactions energy: -1940.708
where: short stacking energy: -847.334
Base-Backbone interact. energy: -1.200
local terms energy: -874.364173
where:
bonds (distance) C4'-P energy: -152.205
bonds (distance) P-C4' energy: -159.147
flat angles C4'-P-C4' energy: -196.357
flat angles P-C4'-P energy: -124.496
tors. eta vs tors. theta energy: -242.158
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2643.319530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.319530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.354263 (E_RNA)
where:
Base-Base interactions energy: -1847.756
where: short stacking energy: -764.120
Base-Backbone interact. energy: 0.986
local terms energy: -797.583462
where:
bonds (distance) C4'-P energy: -143.160
bonds (distance) P-C4' energy: -144.623
flat angles C4'-P-C4' energy: -183.298
flat angles P-C4'-P energy: -110.874
tors. eta vs tors. theta energy: -215.629
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2384.221110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.221110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.016831 (E_RNA)
where:
Base-Base interactions energy: -1589.850
where: short stacking energy: -700.631
Base-Backbone interact. energy: -3.461
local terms energy: -792.706425
where:
bonds (distance) C4'-P energy: -149.437
bonds (distance) P-C4' energy: -176.860
flat angles C4'-P-C4' energy: -165.605
flat angles P-C4'-P energy: -111.584
tors. eta vs tors. theta energy: -189.221
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: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2417.665366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.665366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.169971 (E_RNA)
where:
Base-Base interactions energy: -1628.028
where: short stacking energy: -721.889
Base-Backbone interact. energy: -0.699
local terms energy: -791.443650
where:
bonds (distance) C4'-P energy: -149.651
bonds (distance) P-C4' energy: -157.297
flat angles C4'-P-C4' energy: -164.169
flat angles P-C4'-P energy: -102.000
tors. eta vs tors. theta energy: -218.328
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: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2218.770741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.770741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.810886 (E_RNA)
where:
Base-Base interactions energy: -1491.195
where: short stacking energy: -666.437
Base-Backbone interact. energy: -1.382
local terms energy: -728.233643
where:
bonds (distance) C4'-P energy: -138.497
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -157.508
flat angles P-C4'-P energy: -97.377
tors. eta vs tors. theta energy: -198.672
Dist. restrs. and SS energy: 2.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2101.080130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.080130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.413733 (E_RNA)
where:
Base-Base interactions energy: -1422.617
where: short stacking energy: -620.077
Base-Backbone interact. energy: -3.038
local terms energy: -677.759094
where:
bonds (distance) C4'-P energy: -124.154
bonds (distance) P-C4' energy: -149.667
flat angles C4'-P-C4' energy: -152.026
flat angles P-C4'-P energy: -89.185
tors. eta vs tors. theta energy: -162.727
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: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1989.394261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.394261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.001129 (E_RNA)
where:
Base-Base interactions energy: -1377.359
where: short stacking energy: -572.704
Base-Backbone interact. energy: 2.177
local terms energy: -616.819006
where:
bonds (distance) C4'-P energy: -125.446
bonds (distance) P-C4' energy: -150.914
flat angles C4'-P-C4' energy: -122.714
flat angles P-C4'-P energy: -85.045
tors. eta vs tors. theta energy: -132.700
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: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1959.387985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.603106 (E_RNA)
where:
Base-Base interactions energy: -1316.020
where: short stacking energy: -544.807
Base-Backbone interact. energy: -2.058
local terms energy: -644.525562
where:
bonds (distance) C4'-P energy: -138.534
bonds (distance) P-C4' energy: -140.965
flat angles C4'-P-C4' energy: -142.310
flat angles P-C4'-P energy: -80.220
tors. eta vs tors. theta energy: -142.496
Dist. restrs. and SS energy: 3.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1868.870708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.870708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.956949 (E_RNA)
where:
Base-Base interactions energy: -1282.093
where: short stacking energy: -516.048
Base-Backbone interact. energy: 10.658
local terms energy: -600.521638
where:
bonds (distance) C4'-P energy: -134.349
bonds (distance) P-C4' energy: -131.912
flat angles C4'-P-C4' energy: -143.575
flat angles P-C4'-P energy: -58.574
tors. eta vs tors. theta energy: -132.113
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2892.356232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.356232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.475988 (E_RNA)
where:
Base-Base interactions energy: -2031.388
where: short stacking energy: -822.412
Base-Backbone interact. energy: -2.863
local terms energy: -859.224509
where:
bonds (distance) C4'-P energy: -161.051
bonds (distance) P-C4' energy: -147.057
flat angles C4'-P-C4' energy: -172.656
flat angles P-C4'-P energy: -138.327
tors. eta vs tors. theta energy: -240.134
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: 270
Temperature: 0.950000
Total energy: -2806.774638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.774638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.988011 (E_RNA)
where:
Base-Base interactions energy: -1921.752
where: short stacking energy: -826.488
Base-Backbone interact. energy: -0.270
local terms energy: -886.965480
where:
bonds (distance) C4'-P energy: -162.511
bonds (distance) P-C4' energy: -168.680
flat angles C4'-P-C4' energy: -176.600
flat angles P-C4'-P energy: -135.801
tors. eta vs tors. theta energy: -243.373
Dist. restrs. and SS energy: 2.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2673.081860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.081860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.353814 (E_RNA)
where:
Base-Base interactions energy: -1823.184
where: short stacking energy: -778.329
Base-Backbone interact. energy: 0.807
local terms energy: -851.976860
where:
bonds (distance) C4'-P energy: -151.820
bonds (distance) P-C4' energy: -151.042
flat angles C4'-P-C4' energy: -186.173
flat angles P-C4'-P energy: -136.682
tors. eta vs tors. theta energy: -226.260
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2427.207442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.207442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.813114 (E_RNA)
where:
Base-Base interactions energy: -1663.147
where: short stacking energy: -724.403
Base-Backbone interact. energy: -1.358
local terms energy: -766.307843
where:
bonds (distance) C4'-P energy: -145.577
bonds (distance) P-C4' energy: -140.523
flat angles C4'-P-C4' energy: -169.749
flat angles P-C4'-P energy: -114.171
tors. eta vs tors. theta energy: -196.288
Dist. restrs. and SS energy: 3.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2392.348177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.348177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.790910 (E_RNA)
where:
Base-Base interactions energy: -1623.986
where: short stacking energy: -740.817
Base-Backbone interact. energy: -0.266
local terms energy: -770.538707
where:
bonds (distance) C4'-P energy: -134.081
bonds (distance) P-C4' energy: -142.188
flat angles C4'-P-C4' energy: -175.774
flat angles P-C4'-P energy: -112.667
tors. eta vs tors. theta energy: -205.828
Dist. restrs. and SS energy: 2.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2201.613941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.613941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.196996 (E_RNA)
where:
Base-Base interactions energy: -1491.548
where: short stacking energy: -631.656
Base-Backbone interact. energy: -0.303
local terms energy: -712.346801
where:
bonds (distance) C4'-P energy: -150.864
bonds (distance) P-C4' energy: -136.162
flat angles C4'-P-C4' energy: -161.587
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -176.261
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: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2072.554099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.554099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.642006 (E_RNA)
where:
Base-Base interactions energy: -1418.547
where: short stacking energy: -579.165
Base-Backbone interact. energy: 2.681
local terms energy: -658.776055
where:
bonds (distance) C4'-P energy: -145.249
bonds (distance) P-C4' energy: -135.192
flat angles C4'-P-C4' energy: -132.964
flat angles P-C4'-P energy: -99.357
tors. eta vs tors. theta energy: -146.015
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: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1957.493105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.493105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.109675 (E_RNA)
where:
Base-Base interactions energy: -1327.248
where: short stacking energy: -583.551
Base-Backbone interact. energy: -2.721
local terms energy: -631.140319
where:
bonds (distance) C4'-P energy: -118.086
bonds (distance) P-C4' energy: -112.936
flat angles C4'-P-C4' energy: -145.418
flat angles P-C4'-P energy: -91.195
tors. eta vs tors. theta energy: -163.505
Dist. restrs. and SS energy: 3.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1914.553240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.553240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.771955 (E_RNA)
where:
Base-Base interactions energy: -1277.737
where: short stacking energy: -513.135
Base-Backbone interact. energy: 0.105
local terms energy: -642.139954
where:
bonds (distance) C4'-P energy: -140.062
bonds (distance) P-C4' energy: -127.271
flat angles C4'-P-C4' energy: -147.193
flat angles P-C4'-P energy: -95.087
tors. eta vs tors. theta energy: -132.527
Dist. restrs. and SS energy: 5.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1943.160823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.160823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.198193 (E_RNA)
where:
Base-Base interactions energy: -1323.847
where: short stacking energy: -559.177
Base-Backbone interact. energy: 1.025
local terms energy: -624.375638
where:
bonds (distance) C4'-P energy: -108.046
bonds (distance) P-C4' energy: -132.001
flat angles C4'-P-C4' energy: -151.779
flat angles P-C4'-P energy: -104.433
tors. eta vs tors. theta energy: -128.117
Dist. restrs. and SS energy: 4.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2888.158314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.158314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.628254 (E_RNA)
where:
Base-Base interactions energy: -2033.014
where: short stacking energy: -817.900
Base-Backbone interact. energy: -2.132
local terms energy: -854.482090
where:
bonds (distance) C4'-P energy: -162.221
bonds (distance) P-C4' energy: -166.313
flat angles C4'-P-C4' energy: -177.415
flat angles P-C4'-P energy: -113.349
tors. eta vs tors. theta energy: -235.183
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2815.173348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.173348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.903204 (E_RNA)
where:
Base-Base interactions energy: -1943.782
where: short stacking energy: -849.694
Base-Backbone interact. energy: -1.763
local terms energy: -872.357580
where:
bonds (distance) C4'-P energy: -150.347
bonds (distance) P-C4' energy: -159.636
flat angles C4'-P-C4' energy: -185.878
flat angles P-C4'-P energy: -131.529
tors. eta vs tors. theta energy: -244.968
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: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2681.517396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.517396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.406979 (E_RNA)
where:
Base-Base interactions energy: -1841.605
where: short stacking energy: -785.356
Base-Backbone interact. energy: -2.963
local terms energy: -838.838955
where:
bonds (distance) C4'-P energy: -142.202
bonds (distance) P-C4' energy: -143.746
flat angles C4'-P-C4' energy: -180.871
flat angles P-C4'-P energy: -130.333
tors. eta vs tors. theta energy: -241.687
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2393.409145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.409145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.759661 (E_RNA)
where:
Base-Base interactions energy: -1640.323
where: short stacking energy: -697.431
Base-Backbone interact. energy: 2.884
local terms energy: -757.320672
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -147.675
flat angles C4'-P-C4' energy: -169.327
flat angles P-C4'-P energy: -112.186
tors. eta vs tors. theta energy: -190.086
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: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2327.467516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.467516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.108566 (E_RNA)
where:
Base-Base interactions energy: -1592.150
where: short stacking energy: -699.407
Base-Backbone interact. energy: -1.258
local terms energy: -735.700244
where:
bonds (distance) C4'-P energy: -136.621
bonds (distance) P-C4' energy: -134.924
flat angles C4'-P-C4' energy: -149.499
flat angles P-C4'-P energy: -116.369
tors. eta vs tors. theta energy: -198.288
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2186.437413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.437413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.378568 (E_RNA)
where:
Base-Base interactions energy: -1478.659
where: short stacking energy: -601.957
Base-Backbone interact. energy: 2.670
local terms energy: -714.389737
where:
bonds (distance) C4'-P energy: -136.080
bonds (distance) P-C4' energy: -145.312
flat angles C4'-P-C4' energy: -153.601
flat angles P-C4'-P energy: -96.068
tors. eta vs tors. theta energy: -183.329
Dist. restrs. and SS energy: 3.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2111.323659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.323659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.139634 (E_RNA)
where:
Base-Base interactions energy: -1424.489
where: short stacking energy: -612.125
Base-Backbone interact. energy: -0.564
local terms energy: -688.086860
where:
bonds (distance) C4'-P energy: -123.699
bonds (distance) P-C4' energy: -146.970
flat angles C4'-P-C4' energy: -150.189
flat angles P-C4'-P energy: -105.003
tors. eta vs tors. theta energy: -162.226
Dist. restrs. and SS energy: 1.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2009.302660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.302660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.709883 (E_RNA)
where:
Base-Base interactions energy: -1366.040
where: short stacking energy: -596.512
Base-Backbone interact. energy: -2.303
local terms energy: -643.365956
where:
bonds (distance) C4'-P energy: -129.928
bonds (distance) P-C4' energy: -118.265
flat angles C4'-P-C4' energy: -154.642
flat angles P-C4'-P energy: -95.548
tors. eta vs tors. theta energy: -144.983
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: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1942.812977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.812977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.304050 (E_RNA)
where:
Base-Base interactions energy: -1310.718
where: short stacking energy: -549.240
Base-Backbone interact. energy: -4.209
local terms energy: -630.377517
where:
bonds (distance) C4'-P energy: -136.389
bonds (distance) P-C4' energy: -139.091
flat angles C4'-P-C4' energy: -114.859
flat angles P-C4'-P energy: -100.421
tors. eta vs tors. theta energy: -139.617
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1893.057205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.057205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.702680 (E_RNA)
where:
Base-Base interactions energy: -1290.858
where: short stacking energy: -522.697
Base-Backbone interact. energy: 2.789
local terms energy: -607.634142
where:
bonds (distance) C4'-P energy: -111.961
bonds (distance) P-C4' energy: -156.661
flat angles C4'-P-C4' energy: -135.999
flat angles P-C4'-P energy: -77.468
tors. eta vs tors. theta energy: -125.545
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2887.878343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.878343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.497846 (E_RNA)
where:
Base-Base interactions energy: -2029.782
where: short stacking energy: -815.217
Base-Backbone interact. energy: 0.421
local terms energy: -860.136838
where:
bonds (distance) C4'-P energy: -156.044
bonds (distance) P-C4' energy: -158.928
flat angles C4'-P-C4' energy: -191.332
flat angles P-C4'-P energy: -117.273
tors. eta vs tors. theta energy: -236.560
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2813.066185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.066185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.585643 (E_RNA)
where:
Base-Base interactions energy: -1943.048
where: short stacking energy: -832.162
Base-Backbone interact. energy: -5.235
local terms energy: -867.302560
where:
bonds (distance) C4'-P energy: -160.352
bonds (distance) P-C4' energy: -162.052
flat angles C4'-P-C4' energy: -179.844
flat angles P-C4'-P energy: -123.984
tors. eta vs tors. theta energy: -241.070
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: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2663.436182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.436182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.149793 (E_RNA)
where:
Base-Base interactions energy: -1843.110
where: short stacking energy: -778.026
Base-Backbone interact. energy: -2.388
local terms energy: -819.651692
where:
bonds (distance) C4'-P energy: -133.706
bonds (distance) P-C4' energy: -155.738
flat angles C4'-P-C4' energy: -178.267
flat angles P-C4'-P energy: -126.576
tors. eta vs tors. theta energy: -225.364
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2453.052418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.052418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.791749 (E_RNA)
where:
Base-Base interactions energy: -1661.167
where: short stacking energy: -706.378
Base-Backbone interact. energy: -1.706
local terms energy: -792.918894
where:
bonds (distance) C4'-P energy: -151.985
bonds (distance) P-C4' energy: -150.128
flat angles C4'-P-C4' energy: -175.895
flat angles P-C4'-P energy: -108.293
tors. eta vs tors. theta energy: -206.617
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: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2371.762794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.762794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.333022 (E_RNA)
where:
Base-Base interactions energy: -1627.671
where: short stacking energy: -694.097
Base-Backbone interact. energy: 3.841
local terms energy: -750.503539
where:
bonds (distance) C4'-P energy: -133.745
bonds (distance) P-C4' energy: -139.128
flat angles C4'-P-C4' energy: -171.144
flat angles P-C4'-P energy: -111.343
tors. eta vs tors. theta energy: -195.144
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: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2191.743266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.743266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.502119 (E_RNA)
where:
Base-Base interactions energy: -1470.457
where: short stacking energy: -620.262
Base-Backbone interact. energy: 0.512
local terms energy: -724.557277
where:
bonds (distance) C4'-P energy: -134.202
bonds (distance) P-C4' energy: -151.379
flat angles C4'-P-C4' energy: -169.360
flat angles P-C4'-P energy: -98.493
tors. eta vs tors. theta energy: -171.123
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: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2070.574388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.574388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.376491 (E_RNA)
where:
Base-Base interactions energy: -1373.912
where: short stacking energy: -601.166
Base-Backbone interact. energy: 0.537
local terms energy: -699.001225
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -144.439
flat angles C4'-P-C4' energy: -155.028
flat angles P-C4'-P energy: -90.416
tors. eta vs tors. theta energy: -171.090
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: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2047.256148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.256148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.838706 (E_RNA)
where:
Base-Base interactions energy: -1385.567
where: short stacking energy: -605.003
Base-Backbone interact. energy: -1.322
local terms energy: -662.949414
where:
bonds (distance) C4'-P energy: -107.344
bonds (distance) P-C4' energy: -142.245
flat angles C4'-P-C4' energy: -140.526
flat angles P-C4'-P energy: -107.539
tors. eta vs tors. theta energy: -165.295
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: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1968.909336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.909336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.588626 (E_RNA)
where:
Base-Base interactions energy: -1344.337
where: short stacking energy: -555.260
Base-Backbone interact. energy: -4.068
local terms energy: -623.183865
where:
bonds (distance) C4'-P energy: -129.634
bonds (distance) P-C4' energy: -131.960
flat angles C4'-P-C4' energy: -143.418
flat angles P-C4'-P energy: -80.999
tors. eta vs tors. theta energy: -137.172
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: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1870.719007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.719007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.550783 (E_RNA)
where:
Base-Base interactions energy: -1252.894
where: short stacking energy: -513.229
Base-Backbone interact. energy: 1.137
local terms energy: -620.794064
where:
bonds (distance) C4'-P energy: -134.740
bonds (distance) P-C4' energy: -137.101
flat angles C4'-P-C4' energy: -140.910
flat angles P-C4'-P energy: -74.404
tors. eta vs tors. theta energy: -133.640
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: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2918.461028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.461028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.518581 (E_RNA)
where:
Base-Base interactions energy: -2034.154
where: short stacking energy: -829.617
Base-Backbone interact. energy: -2.132
local terms energy: -883.232788
where:
bonds (distance) C4'-P energy: -175.883
bonds (distance) P-C4' energy: -159.031
flat angles C4'-P-C4' energy: -179.206
flat angles P-C4'-P energy: -129.985
tors. eta vs tors. theta energy: -239.127
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2795.221410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.221410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.735779 (E_RNA)
where:
Base-Base interactions energy: -1925.123
where: short stacking energy: -824.928
Base-Backbone interact. energy: -4.934
local terms energy: -869.679012
where:
bonds (distance) C4'-P energy: -156.318
bonds (distance) P-C4' energy: -165.983
flat angles C4'-P-C4' energy: -188.615
flat angles P-C4'-P energy: -120.387
tors. eta vs tors. theta energy: -238.376
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: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2663.367522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.367522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.071009 (E_RNA)
where:
Base-Base interactions energy: -1901.412
where: short stacking energy: -803.588
Base-Backbone interact. energy: -5.124
local terms energy: -758.535093
where:
bonds (distance) C4'-P energy: -138.516
bonds (distance) P-C4' energy: -135.142
flat angles C4'-P-C4' energy: -166.700
flat angles P-C4'-P energy: -95.707
tors. eta vs tors. theta energy: -222.470
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: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2402.152282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.152282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.292114 (E_RNA)
where:
Base-Base interactions energy: -1640.341
where: short stacking energy: -693.252
Base-Backbone interact. energy: -6.313
local terms energy: -757.637558
where:
bonds (distance) C4'-P energy: -154.468
bonds (distance) P-C4' energy: -160.344
flat angles C4'-P-C4' energy: -156.723
flat angles P-C4'-P energy: -114.733
tors. eta vs tors. theta energy: -171.370
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: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2370.967404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.967404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.602651 (E_RNA)
where:
Base-Base interactions energy: -1620.205
where: short stacking energy: -715.472
Base-Backbone interact. energy: 0.490
local terms energy: -753.887376
where:
bonds (distance) C4'-P energy: -135.505
bonds (distance) P-C4' energy: -135.495
flat angles C4'-P-C4' energy: -174.021
flat angles P-C4'-P energy: -103.369
tors. eta vs tors. theta energy: -205.497
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2171.404501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.404501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.102360 (E_RNA)
where:
Base-Base interactions energy: -1463.693
where: short stacking energy: -630.608
Base-Backbone interact. energy: -0.332
local terms energy: -711.077967
where:
bonds (distance) C4'-P energy: -140.430
bonds (distance) P-C4' energy: -143.393
flat angles C4'-P-C4' energy: -158.379
flat angles P-C4'-P energy: -94.807
tors. eta vs tors. theta energy: -174.069
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2049.329457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.329457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.258187 (E_RNA)
where:
Base-Base interactions energy: -1372.092
where: short stacking energy: -591.367
Base-Backbone interact. energy: -2.425
local terms energy: -676.740519
where:
bonds (distance) C4'-P energy: -132.697
bonds (distance) P-C4' energy: -141.805
flat angles C4'-P-C4' energy: -150.796
flat angles P-C4'-P energy: -99.793
tors. eta vs tors. theta energy: -151.650
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1998.184841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.184841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.933033 (E_RNA)
where:
Base-Base interactions energy: -1340.522
where: short stacking energy: -596.651
Base-Backbone interact. energy: -3.044
local terms energy: -657.366562
where:
bonds (distance) C4'-P energy: -134.262
bonds (distance) P-C4' energy: -132.434
flat angles C4'-P-C4' energy: -143.882
flat angles P-C4'-P energy: -89.306
tors. eta vs tors. theta energy: -157.482
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1941.762580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.762580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.823454 (E_RNA)
where:
Base-Base interactions energy: -1345.465
where: short stacking energy: -572.085
Base-Backbone interact. energy: 2.075
local terms energy: -602.432838
where:
bonds (distance) C4'-P energy: -118.347
bonds (distance) P-C4' energy: -133.526
flat angles C4'-P-C4' energy: -129.217
flat angles P-C4'-P energy: -79.832
tors. eta vs tors. theta energy: -141.510
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1902.399819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.399819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.386918 (E_RNA)
where:
Base-Base interactions energy: -1286.395
where: short stacking energy: -533.973
Base-Backbone interact. energy: -1.995
local terms energy: -617.996840
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -140.924
flat angles C4'-P-C4' energy: -141.703
flat angles P-C4'-P energy: -76.699
tors. eta vs tors. theta energy: -130.737
Dist. restrs. and SS energy: 3.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2900.302524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.302524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.743545 (E_RNA)
where:
Base-Base interactions energy: -2025.657
where: short stacking energy: -822.592
Base-Backbone interact. energy: -4.770
local terms energy: -871.316925
where:
bonds (distance) C4'-P energy: -163.315
bonds (distance) P-C4' energy: -171.823
flat angles C4'-P-C4' energy: -167.604
flat angles P-C4'-P energy: -129.499
tors. eta vs tors. theta energy: -239.076
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2794.257376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.908442 (E_RNA)
where:
Base-Base interactions energy: -1921.612
where: short stacking energy: -815.301
Base-Backbone interact. energy: -2.132
local terms energy: -872.164899
where:
bonds (distance) C4'-P energy: -150.162
bonds (distance) P-C4' energy: -166.044
flat angles C4'-P-C4' energy: -188.599
flat angles P-C4'-P energy: -120.004
tors. eta vs tors. theta energy: -247.356
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2603.612360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.612360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.289649 (E_RNA)
where:
Base-Base interactions energy: -1815.089
where: short stacking energy: -723.867
Base-Backbone interact. energy: -2.322
local terms energy: -787.878603
where:
bonds (distance) C4'-P energy: -146.481
bonds (distance) P-C4' energy: -147.328
flat angles C4'-P-C4' energy: -167.249
flat angles P-C4'-P energy: -123.149
tors. eta vs tors. theta energy: -203.672
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2508.343922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.343922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.443904 (E_RNA)
where:
Base-Base interactions energy: -1738.533
where: short stacking energy: -742.122
Base-Backbone interact. energy: -5.864
local terms energy: -765.047037
where:
bonds (distance) C4'-P energy: -158.206
bonds (distance) P-C4' energy: -139.678
flat angles C4'-P-C4' energy: -168.087
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -196.894
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: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2343.586578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.586578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.524462 (E_RNA)
where:
Base-Base interactions energy: -1567.173
where: short stacking energy: -695.676
Base-Backbone interact. energy: -5.182
local terms energy: -772.169572
where:
bonds (distance) C4'-P energy: -157.629
bonds (distance) P-C4' energy: -146.162
flat angles C4'-P-C4' energy: -172.464
flat angles P-C4'-P energy: -98.839
tors. eta vs tors. theta energy: -197.075
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2199.428190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.428190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.436542 (E_RNA)
where:
Base-Base interactions energy: -1490.959
where: short stacking energy: -665.978
Base-Backbone interact. energy: -4.055
local terms energy: -709.422819
where:
bonds (distance) C4'-P energy: -128.606
bonds (distance) P-C4' energy: -145.012
flat angles C4'-P-C4' energy: -148.698
flat angles P-C4'-P energy: -112.634
tors. eta vs tors. theta energy: -174.473
Dist. restrs. and SS energy: 5.008 (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: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2099.902620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.902620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.292662 (E_RNA)
where:
Base-Base interactions energy: -1436.052
where: short stacking energy: -629.566
Base-Backbone interact. energy: -1.690
local terms energy: -664.550846
where:
bonds (distance) C4'-P energy: -138.881
bonds (distance) P-C4' energy: -131.613
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -109.188
tors. eta vs tors. theta energy: -148.085
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: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2031.783168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.783168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.946565 (E_RNA)
where:
Base-Base interactions energy: -1364.789
where: short stacking energy: -603.031
Base-Backbone interact. energy: 4.158
local terms energy: -677.315793
where:
bonds (distance) C4'-P energy: -142.520
bonds (distance) P-C4' energy: -122.894
flat angles C4'-P-C4' energy: -140.468
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -164.304
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1959.494107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.494107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.703992 (E_RNA)
where:
Base-Base interactions energy: -1312.786
where: short stacking energy: -559.106
Base-Backbone interact. energy: 2.543
local terms energy: -651.460619
where:
bonds (distance) C4'-P energy: -147.267
bonds (distance) P-C4' energy: -122.576
flat angles C4'-P-C4' energy: -153.205
flat angles P-C4'-P energy: -89.397
tors. eta vs tors. theta energy: -139.015
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: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1882.713634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.713634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.290816 (E_RNA)
where:
Base-Base interactions energy: -1299.754
where: short stacking energy: -537.783
Base-Backbone interact. energy: 1.173
local terms energy: -585.709936
where:
bonds (distance) C4'-P energy: -125.641
bonds (distance) P-C4' energy: -144.185
flat angles C4'-P-C4' energy: -137.821
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -123.068
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2909.842322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.842322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.332156 (E_RNA)
where:
Base-Base interactions energy: -2025.182
where: short stacking energy: -826.255
Base-Backbone interact. energy: -0.509
local terms energy: -885.641294
where:
bonds (distance) C4'-P energy: -169.892
bonds (distance) P-C4' energy: -158.123
flat angles C4'-P-C4' energy: -187.431
flat angles P-C4'-P energy: -131.337
tors. eta vs tors. theta energy: -238.859
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: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2796.986354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.986354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.216666 (E_RNA)
where:
Base-Base interactions energy: -1913.268
where: short stacking energy: -800.648
Base-Backbone interact. energy: 0.964
local terms energy: -885.912823
where:
bonds (distance) C4'-P energy: -158.479
bonds (distance) P-C4' energy: -180.614
flat angles C4'-P-C4' energy: -181.588
flat angles P-C4'-P energy: -125.049
tors. eta vs tors. theta energy: -240.183
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2594.376284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.376284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.754503 (E_RNA)
where:
Base-Base interactions energy: -1791.709
where: short stacking energy: -721.711
Base-Backbone interact. energy: -0.449
local terms energy: -804.596430
where:
bonds (distance) C4'-P energy: -168.121
bonds (distance) P-C4' energy: -149.388
flat angles C4'-P-C4' energy: -165.828
flat angles P-C4'-P energy: -127.503
tors. eta vs tors. theta energy: -193.756
Dist. restrs. and SS energy: 2.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2449.458947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.458947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.103267 (E_RNA)
where:
Base-Base interactions energy: -1706.081
where: short stacking energy: -712.826
Base-Backbone interact. energy: 3.513
local terms energy: -748.535227
where:
bonds (distance) C4'-P energy: -126.836
bonds (distance) P-C4' energy: -154.552
flat angles C4'-P-C4' energy: -165.466
flat angles P-C4'-P energy: -102.960
tors. eta vs tors. theta energy: -198.720
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2337.408858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.408858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.096010 (E_RNA)
where:
Base-Base interactions energy: -1577.529
where: short stacking energy: -698.645
Base-Backbone interact. energy: -1.001
local terms energy: -760.565944
where:
bonds (distance) C4'-P energy: -138.475
bonds (distance) P-C4' energy: -149.812
flat angles C4'-P-C4' energy: -168.744
flat angles P-C4'-P energy: -113.848
tors. eta vs tors. theta energy: -189.687
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2194.040608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.040608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.420701 (E_RNA)
where:
Base-Base interactions energy: -1465.958
where: short stacking energy: -661.302
Base-Backbone interact. energy: 2.326
local terms energy: -732.788467
where:
bonds (distance) C4'-P energy: -129.744
bonds (distance) P-C4' energy: -145.016
flat angles C4'-P-C4' energy: -162.727
flat angles P-C4'-P energy: -109.546
tors. eta vs tors. theta energy: -185.756
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: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2149.582599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.582599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.771795 (E_RNA)
where:
Base-Base interactions energy: -1459.463
where: short stacking energy: -618.036
Base-Backbone interact. energy: -2.160
local terms energy: -691.149177
where:
bonds (distance) C4'-P energy: -144.740
bonds (distance) P-C4' energy: -135.558
flat angles C4'-P-C4' energy: -156.023
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -167.510
Dist. restrs. and SS energy: 3.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2036.857844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.857844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.808666 (E_RNA)
where:
Base-Base interactions energy: -1377.353
where: short stacking energy: -587.137
Base-Backbone interact. energy: -0.674
local terms energy: -663.780725
where:
bonds (distance) C4'-P energy: -140.362
bonds (distance) P-C4' energy: -137.336
flat angles C4'-P-C4' energy: -144.567
flat angles P-C4'-P energy: -90.546
tors. eta vs tors. theta energy: -150.970
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1922.778634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.778634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.392856 (E_RNA)
where:
Base-Base interactions energy: -1312.328
where: short stacking energy: -537.737
Base-Backbone interact. energy: 5.755
local terms energy: -618.819397
where:
bonds (distance) C4'-P energy: -117.219
bonds (distance) P-C4' energy: -137.382
flat angles C4'-P-C4' energy: -144.604
flat angles P-C4'-P energy: -76.294
tors. eta vs tors. theta energy: -143.320
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: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1847.811319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.811319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.227609 (E_RNA)
where:
Base-Base interactions energy: -1275.455
where: short stacking energy: -534.044
Base-Backbone interact. energy: 16.048
local terms energy: -591.820011
where:
bonds (distance) C4'-P energy: -135.506
bonds (distance) P-C4' energy: -107.713
flat angles C4'-P-C4' energy: -131.167
flat angles P-C4'-P energy: -92.112
tors. eta vs tors. theta energy: -125.322
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: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2905.247001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.247001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.831212 (E_RNA)
where:
Base-Base interactions energy: -2033.665
where: short stacking energy: -834.767
Base-Backbone interact. energy: -1.845
local terms energy: -871.321247
where:
bonds (distance) C4'-P energy: -166.562
bonds (distance) P-C4' energy: -155.717
flat angles C4'-P-C4' energy: -185.820
flat angles P-C4'-P energy: -120.370
tors. eta vs tors. theta energy: -242.852
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2810.633127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.633127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.251495 (E_RNA)
where:
Base-Base interactions energy: -1974.640
where: short stacking energy: -810.820
Base-Backbone interact. energy: -0.135
local terms energy: -838.476409
where:
bonds (distance) C4'-P energy: -155.276
bonds (distance) P-C4' energy: -147.535
flat angles C4'-P-C4' energy: -180.126
flat angles P-C4'-P energy: -115.708
tors. eta vs tors. theta energy: -239.831
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2614.424014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.424014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.132545 (E_RNA)
where:
Base-Base interactions energy: -1811.242
where: short stacking energy: -775.145
Base-Backbone interact. energy: 2.081
local terms energy: -806.971208
where:
bonds (distance) C4'-P energy: -150.948
bonds (distance) P-C4' energy: -160.795
flat angles C4'-P-C4' energy: -164.782
flat angles P-C4'-P energy: -118.220
tors. eta vs tors. theta energy: -212.226
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: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2427.287280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.287280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.706461 (E_RNA)
where:
Base-Base interactions energy: -1667.977
where: short stacking energy: -681.907
Base-Backbone interact. energy: -2.197
local terms energy: -758.531796
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -166.488
flat angles C4'-P-C4' energy: -168.025
flat angles P-C4'-P energy: -98.975
tors. eta vs tors. theta energy: -188.239
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2386.184990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.184990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.533486 (E_RNA)
where:
Base-Base interactions energy: -1636.667
where: short stacking energy: -720.517
Base-Backbone interact. energy: -1.351
local terms energy: -749.515513
where:
bonds (distance) C4'-P energy: -132.914
bonds (distance) P-C4' energy: -136.269
flat angles C4'-P-C4' energy: -161.893
flat angles P-C4'-P energy: -115.872
tors. eta vs tors. theta energy: -202.568
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2126.303312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.303312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.877461 (E_RNA)
where:
Base-Base interactions energy: -1443.689
where: short stacking energy: -628.893
Base-Backbone interact. energy: 2.596
local terms energy: -687.783682
where:
bonds (distance) C4'-P energy: -139.714
bonds (distance) P-C4' energy: -147.760
flat angles C4'-P-C4' energy: -144.694
flat angles P-C4'-P energy: -95.249
tors. eta vs tors. theta energy: -160.367
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: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2071.426091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.426091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.353961 (E_RNA)
where:
Base-Base interactions energy: -1395.928
where: short stacking energy: -599.185
Base-Backbone interact. energy: 1.366
local terms energy: -680.791014
where:
bonds (distance) C4'-P energy: -137.993
bonds (distance) P-C4' energy: -141.505
flat angles C4'-P-C4' energy: -142.281
flat angles P-C4'-P energy: -89.701
tors. eta vs tors. theta energy: -169.312
Dist. restrs. and SS energy: 3.928 (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: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2018.343868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.343868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.199227 (E_RNA)
where:
Base-Base interactions energy: -1354.803
where: short stacking energy: -585.593
Base-Backbone interact. energy: 0.446
local terms energy: -666.842325
where:
bonds (distance) C4'-P energy: -137.279
bonds (distance) P-C4' energy: -135.440
flat angles C4'-P-C4' energy: -163.060
flat angles P-C4'-P energy: -91.903
tors. eta vs tors. theta energy: -139.160
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1889.492970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.492970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.497452 (E_RNA)
where:
Base-Base interactions energy: -1278.802
where: short stacking energy: -527.402
Base-Backbone interact. energy: 1.174
local terms energy: -613.869484
where:
bonds (distance) C4'-P energy: -140.697
bonds (distance) P-C4' energy: -119.895
flat angles C4'-P-C4' energy: -141.929
flat angles P-C4'-P energy: -90.410
tors. eta vs tors. theta energy: -120.939
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1895.243403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.243403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.521407 (E_RNA)
where:
Base-Base interactions energy: -1300.035
where: short stacking energy: -532.721
Base-Backbone interact. energy: 3.707
local terms energy: -601.193557
where:
bonds (distance) C4'-P energy: -128.000
bonds (distance) P-C4' energy: -120.031
flat angles C4'-P-C4' energy: -130.921
flat angles P-C4'-P energy: -84.451
tors. eta vs tors. theta energy: -137.791
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: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2891.657413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.657413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.355417 (E_RNA)
where:
Base-Base interactions energy: -2042.846
where: short stacking energy: -834.542
Base-Backbone interact. energy: -5.004
local terms energy: -844.505576
where:
bonds (distance) C4'-P energy: -160.924
bonds (distance) P-C4' energy: -148.212
flat angles C4'-P-C4' energy: -177.341
flat angles P-C4'-P energy: -128.768
tors. eta vs tors. theta energy: -229.260
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2794.382695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.382695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.506221 (E_RNA)
where:
Base-Base interactions energy: -1954.175
where: short stacking energy: -816.086
Base-Backbone interact. energy: -0.111
local terms energy: -841.219843
where:
bonds (distance) C4'-P energy: -142.165
bonds (distance) P-C4' energy: -155.331
flat angles C4'-P-C4' energy: -181.543
flat angles P-C4'-P energy: -114.311
tors. eta vs tors. theta energy: -247.870
Dist. restrs. and SS energy: 1.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2617.450678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.450678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.661092 (E_RNA)
where:
Base-Base interactions energy: -1811.967
where: short stacking energy: -759.796
Base-Backbone interact. energy: -4.719
local terms energy: -801.974940
where:
bonds (distance) C4'-P energy: -159.448
bonds (distance) P-C4' energy: -153.408
flat angles C4'-P-C4' energy: -173.214
flat angles P-C4'-P energy: -99.323
tors. eta vs tors. theta energy: -216.582
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2491.930562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.930562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.480753 (E_RNA)
where:
Base-Base interactions energy: -1709.224
where: short stacking energy: -768.685
Base-Backbone interact. energy: -1.501
local terms energy: -783.755934
where:
bonds (distance) C4'-P energy: -126.869
bonds (distance) P-C4' energy: -160.886
flat angles C4'-P-C4' energy: -175.900
flat angles P-C4'-P energy: -110.828
tors. eta vs tors. theta energy: -209.274
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: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2402.293518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.293518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.622244 (E_RNA)
where:
Base-Base interactions energy: -1627.071
where: short stacking energy: -704.780
Base-Backbone interact. energy: 0.882
local terms energy: -778.433409
where:
bonds (distance) C4'-P energy: -145.617
bonds (distance) P-C4' energy: -149.632
flat angles C4'-P-C4' energy: -169.265
flat angles P-C4'-P energy: -110.213
tors. eta vs tors. theta energy: -203.707
Dist. restrs. and SS energy: 2.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2192.092542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.092542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.347713 (E_RNA)
where:
Base-Base interactions energy: -1494.021
where: short stacking energy: -654.816
Base-Backbone interact. energy: 2.823
local terms energy: -702.149534
where:
bonds (distance) C4'-P energy: -135.867
bonds (distance) P-C4' energy: -143.601
flat angles C4'-P-C4' energy: -145.141
flat angles P-C4'-P energy: -101.361
tors. eta vs tors. theta energy: -176.179
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: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2041.183599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.183599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.595549 (E_RNA)
where:
Base-Base interactions energy: -1398.766
where: short stacking energy: -608.091
Base-Backbone interact. energy: 0.479
local terms energy: -645.308590
where:
bonds (distance) C4'-P energy: -128.444
bonds (distance) P-C4' energy: -141.379
flat angles C4'-P-C4' energy: -148.358
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -160.038
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: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2038.578550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.578550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.167896 (E_RNA)
where:
Base-Base interactions energy: -1331.405
where: short stacking energy: -583.193
Base-Backbone interact. energy: -0.409
local terms energy: -709.354048
where:
bonds (distance) C4'-P energy: -143.013
bonds (distance) P-C4' energy: -157.589
flat angles C4'-P-C4' energy: -141.794
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -171.273
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: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1938.478027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.478027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.468043 (E_RNA)
where:
Base-Base interactions energy: -1299.106
where: short stacking energy: -546.636
Base-Backbone interact. energy: -3.624
local terms energy: -638.738139
where:
bonds (distance) C4'-P energy: -130.406
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -146.421
flat angles P-C4'-P energy: -98.383
tors. eta vs tors. theta energy: -125.001
Dist. restrs. and SS energy: 2.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1860.500096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.500096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.589520 (E_RNA)
where:
Base-Base interactions energy: -1276.692
where: short stacking energy: -540.768
Base-Backbone interact. energy: 2.946
local terms energy: -590.843643
where:
bonds (distance) C4'-P energy: -89.403
bonds (distance) P-C4' energy: -129.722
flat angles C4'-P-C4' energy: -157.160
flat angles P-C4'-P energy: -82.250
tors. eta vs tors. theta energy: -132.309
Dist. restrs. and SS energy: 4.089 (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: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2902.709926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.709926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.955783 (E_RNA)
where:
Base-Base interactions energy: -2031.854
where: short stacking energy: -824.471
Base-Backbone interact. energy: -2.459
local terms energy: -869.642962
where:
bonds (distance) C4'-P energy: -166.303
bonds (distance) P-C4' energy: -152.611
flat angles C4'-P-C4' energy: -190.047
flat angles P-C4'-P energy: -119.205
tors. eta vs tors. theta energy: -241.477
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: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2822.688136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.688136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.995165 (E_RNA)
where:
Base-Base interactions energy: -1949.409
where: short stacking energy: -843.284
Base-Backbone interact. energy: -0.101
local terms energy: -874.485481
where:
bonds (distance) C4'-P energy: -149.986
bonds (distance) P-C4' energy: -163.685
flat angles C4'-P-C4' energy: -171.967
flat angles P-C4'-P energy: -125.027
tors. eta vs tors. theta energy: -263.820
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2622.420273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.420273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.534141 (E_RNA)
where:
Base-Base interactions energy: -1806.671
where: short stacking energy: -758.484
Base-Backbone interact. energy: -1.037
local terms energy: -816.826460
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -152.764
flat angles C4'-P-C4' energy: -182.319
flat angles P-C4'-P energy: -114.390
tors. eta vs tors. theta energy: -227.455
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2469.052753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.052753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.961296 (E_RNA)
where:
Base-Base interactions energy: -1665.245
where: short stacking energy: -708.146
Base-Backbone interact. energy: -1.181
local terms energy: -804.535616
where:
bonds (distance) C4'-P energy: -150.259
bonds (distance) P-C4' energy: -158.150
flat angles C4'-P-C4' energy: -168.739
flat angles P-C4'-P energy: -125.716
tors. eta vs tors. theta energy: -201.672
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2370.772397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.772397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.499965 (E_RNA)
where:
Base-Base interactions energy: -1619.752
where: short stacking energy: -677.060
Base-Backbone interact. energy: -3.038
local terms energy: -749.709669
where:
bonds (distance) C4'-P energy: -153.159
bonds (distance) P-C4' energy: -149.793
flat angles C4'-P-C4' energy: -157.622
flat angles P-C4'-P energy: -95.061
tors. eta vs tors. theta energy: -194.075
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: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2169.256257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.256257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.503952 (E_RNA)
where:
Base-Base interactions energy: -1435.361
where: short stacking energy: -633.454
Base-Backbone interact. energy: -1.968
local terms energy: -734.174877
where:
bonds (distance) C4'-P energy: -138.589
bonds (distance) P-C4' energy: -164.776
flat angles C4'-P-C4' energy: -165.464
flat angles P-C4'-P energy: -92.856
tors. eta vs tors. theta energy: -172.490
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: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -2067.760181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.760181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.857979 (E_RNA)
where:
Base-Base interactions energy: -1409.202
where: short stacking energy: -611.908
Base-Backbone interact. energy: 2.208
local terms energy: -662.864491
where:
bonds (distance) C4'-P energy: -130.310
bonds (distance) P-C4' energy: -137.428
flat angles C4'-P-C4' energy: -140.056
flat angles P-C4'-P energy: -93.489
tors. eta vs tors. theta energy: -161.582
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: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1994.376844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.376844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.771250 (E_RNA)
where:
Base-Base interactions energy: -1343.262
where: short stacking energy: -567.110
Base-Backbone interact. energy: -1.861
local terms energy: -651.647828
where:
bonds (distance) C4'-P energy: -128.610
bonds (distance) P-C4' energy: -128.415
flat angles C4'-P-C4' energy: -148.029
flat angles P-C4'-P energy: -101.001
tors. eta vs tors. theta energy: -145.592
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: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -2007.499614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.499614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.553662 (E_RNA)
where:
Base-Base interactions energy: -1319.850
where: short stacking energy: -560.366
Base-Backbone interact. energy: 2.161
local terms energy: -691.865484
where:
bonds (distance) C4'-P energy: -129.006
bonds (distance) P-C4' energy: -134.264
flat angles C4'-P-C4' energy: -149.681
flat angles P-C4'-P energy: -107.048
tors. eta vs tors. theta energy: -171.867
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: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1897.940265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.940265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.577198 (E_RNA)
where:
Base-Base interactions energy: -1282.276
where: short stacking energy: -539.888
Base-Backbone interact. energy: -1.646
local terms energy: -616.654843
where:
bonds (distance) C4'-P energy: -115.982
bonds (distance) P-C4' energy: -119.848
flat angles C4'-P-C4' energy: -146.873
flat angles P-C4'-P energy: -97.431
tors. eta vs tors. theta energy: -136.522
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2926.507943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.507943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.874249 (E_RNA)
where:
Base-Base interactions energy: -2073.665
where: short stacking energy: -855.888
Base-Backbone interact. energy: -1.693
local terms energy: -851.516759
where:
bonds (distance) C4'-P energy: -145.073
bonds (distance) P-C4' energy: -169.022
flat angles C4'-P-C4' energy: -174.011
flat angles P-C4'-P energy: -119.266
tors. eta vs tors. theta energy: -244.145
Dist. restrs. and SS energy: 0.366 (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: 279
Temperature: 0.950000
Total energy: -2820.726786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.726786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.626144 (E_RNA)
where:
Base-Base interactions energy: -1960.147
where: short stacking energy: -842.921
Base-Backbone interact. energy: -1.434
local terms energy: -861.044768
where:
bonds (distance) C4'-P energy: -148.135
bonds (distance) P-C4' energy: -160.935
flat angles C4'-P-C4' energy: -172.402
flat angles P-C4'-P energy: -129.779
tors. eta vs tors. theta energy: -249.793
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2575.902451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.902451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.163176 (E_RNA)
where:
Base-Base interactions energy: -1786.887
where: short stacking energy: -747.398
Base-Backbone interact. energy: -3.346
local terms energy: -787.930198
where:
bonds (distance) C4'-P energy: -153.678
bonds (distance) P-C4' energy: -159.549
flat angles C4'-P-C4' energy: -160.261
flat angles P-C4'-P energy: -97.535
tors. eta vs tors. theta energy: -216.907
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: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2463.250635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.250635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.313925 (E_RNA)
where:
Base-Base interactions energy: -1704.115
where: short stacking energy: -734.655
Base-Backbone interact. energy: 0.045
local terms energy: -760.243739
where:
bonds (distance) C4'-P energy: -155.783
bonds (distance) P-C4' energy: -145.180
flat angles C4'-P-C4' energy: -164.502
flat angles P-C4'-P energy: -96.006
tors. eta vs tors. theta energy: -198.772
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: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2331.279937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.279937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.016264 (E_RNA)
where:
Base-Base interactions energy: -1592.287
where: short stacking energy: -698.256
Base-Backbone interact. energy: -3.792
local terms energy: -736.937625
where:
bonds (distance) C4'-P energy: -144.600
bonds (distance) P-C4' energy: -124.702
flat angles C4'-P-C4' energy: -155.089
flat angles P-C4'-P energy: -123.590
tors. eta vs tors. theta energy: -188.957
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2179.759069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.759069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.573975 (E_RNA)
where:
Base-Base interactions energy: -1456.494
where: short stacking energy: -618.830
Base-Backbone interact. energy: -1.563
local terms energy: -723.516793
where:
bonds (distance) C4'-P energy: -139.641
bonds (distance) P-C4' energy: -142.574
flat angles C4'-P-C4' energy: -150.804
flat angles P-C4'-P energy: -116.082
tors. eta vs tors. theta energy: -174.416
Dist. restrs. and SS energy: 1.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2108.274126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.274126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.378754 (E_RNA)
where:
Base-Base interactions energy: -1437.340
where: short stacking energy: -626.582
Base-Backbone interact. energy: -3.012
local terms energy: -670.027480
where:
bonds (distance) C4'-P energy: -133.902
bonds (distance) P-C4' energy: -137.026
flat angles C4'-P-C4' energy: -152.207
flat angles P-C4'-P energy: -89.745
tors. eta vs tors. theta energy: -157.148
Dist. restrs. and SS energy: 2.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2040.249164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.249164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.258720 (E_RNA)
where:
Base-Base interactions energy: -1390.389
where: short stacking energy: -575.953
Base-Backbone interact. energy: 0.435
local terms energy: -652.305163
where:
bonds (distance) C4'-P energy: -148.238
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -132.271
flat angles P-C4'-P energy: -96.581
tors. eta vs tors. theta energy: -144.855
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1947.735232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.735232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.933945 (E_RNA)
where:
Base-Base interactions energy: -1323.657
where: short stacking energy: -557.784
Base-Backbone interact. energy: -1.400
local terms energy: -624.876460
where:
bonds (distance) C4'-P energy: -135.142
bonds (distance) P-C4' energy: -120.747
flat angles C4'-P-C4' energy: -157.201
flat angles P-C4'-P energy: -70.363
tors. eta vs tors. theta energy: -141.424
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: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -1856.437670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.437670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.766147 (E_RNA)
where:
Base-Base interactions energy: -1289.628
where: short stacking energy: -520.505
Base-Backbone interact. energy: 3.801
local terms energy: -573.939283
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -120.348
flat angles C4'-P-C4' energy: -128.586
flat angles P-C4'-P energy: -85.571
tors. eta vs tors. theta energy: -142.043
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2936.879265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.879265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.301044 (E_RNA)
where:
Base-Base interactions energy: -2058.334
where: short stacking energy: -846.284
Base-Backbone interact. energy: -3.033
local terms energy: -876.934231
where:
bonds (distance) C4'-P energy: -159.672
bonds (distance) P-C4' energy: -172.349
flat angles C4'-P-C4' energy: -186.610
flat angles P-C4'-P energy: -114.118
tors. eta vs tors. theta energy: -244.185
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: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2790.166222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.166222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.947080 (E_RNA)
where:
Base-Base interactions energy: -1947.405
where: short stacking energy: -831.328
Base-Backbone interact. energy: 0.232
local terms energy: -845.774240
where:
bonds (distance) C4'-P energy: -148.200
bonds (distance) P-C4' energy: -159.742
flat angles C4'-P-C4' energy: -164.024
flat angles P-C4'-P energy: -127.518
tors. eta vs tors. theta energy: -246.290
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2609.389972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.389972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.308009 (E_RNA)
where:
Base-Base interactions energy: -1786.931
where: short stacking energy: -762.961
Base-Backbone interact. energy: -2.313
local terms energy: -821.064204
where:
bonds (distance) C4'-P energy: -166.987
bonds (distance) P-C4' energy: -150.898
flat angles C4'-P-C4' energy: -171.511
flat angles P-C4'-P energy: -115.905
tors. eta vs tors. theta energy: -215.764
Dist. restrs. and SS energy: 0.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2504.305703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.305703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.344897 (E_RNA)
where:
Base-Base interactions energy: -1712.092
where: short stacking energy: -737.347
Base-Backbone interact. energy: 3.222
local terms energy: -797.474720
where:
bonds (distance) C4'-P energy: -146.744
bonds (distance) P-C4' energy: -142.537
flat angles C4'-P-C4' energy: -175.345
flat angles P-C4'-P energy: -106.470
tors. eta vs tors. theta energy: -226.378
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2360.006069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.006069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.966365 (E_RNA)
where:
Base-Base interactions energy: -1612.033
where: short stacking energy: -684.184
Base-Backbone interact. energy: -2.800
local terms energy: -747.133456
where:
bonds (distance) C4'-P energy: -134.982
bonds (distance) P-C4' energy: -153.990
flat angles C4'-P-C4' energy: -172.135
flat angles P-C4'-P energy: -96.537
tors. eta vs tors. theta energy: -189.489
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: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2220.025324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.025324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.251168 (E_RNA)
where:
Base-Base interactions energy: -1486.279
where: short stacking energy: -638.706
Base-Backbone interact. energy: -3.362
local terms energy: -732.610388
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -157.196
flat angles C4'-P-C4' energy: -159.327
flat angles P-C4'-P energy: -96.160
tors. eta vs tors. theta energy: -172.387
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: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2112.075963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.075963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.306463 (E_RNA)
where:
Base-Base interactions energy: -1433.485
where: short stacking energy: -623.349
Base-Backbone interact. energy: 1.418
local terms energy: -683.239273
where:
bonds (distance) C4'-P energy: -117.739
bonds (distance) P-C4' energy: -141.809
flat angles C4'-P-C4' energy: -156.578
flat angles P-C4'-P energy: -105.833
tors. eta vs tors. theta energy: -161.280
Dist. restrs. and SS energy: 3.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2016.052596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.052596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.136193 (E_RNA)
where:
Base-Base interactions energy: -1373.303
where: short stacking energy: -593.243
Base-Backbone interact. energy: -1.312
local terms energy: -644.520904
where:
bonds (distance) C4'-P energy: -127.558
bonds (distance) P-C4' energy: -136.783
flat angles C4'-P-C4' energy: -140.123
flat angles P-C4'-P energy: -91.413
tors. eta vs tors. theta energy: -148.644
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: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1936.224497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.224497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.852707 (E_RNA)
where:
Base-Base interactions energy: -1308.798
where: short stacking energy: -543.102
Base-Backbone interact. energy: -3.648
local terms energy: -627.406459
where:
bonds (distance) C4'-P energy: -127.632
bonds (distance) P-C4' energy: -127.775
flat angles C4'-P-C4' energy: -155.440
flat angles P-C4'-P energy: -83.650
tors. eta vs tors. theta energy: -132.910
Dist. restrs. and SS energy: 3.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -1811.726453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.726453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.279167 (E_RNA)
where:
Base-Base interactions energy: -1264.419
where: short stacking energy: -528.470
Base-Backbone interact. energy: 4.631
local terms energy: -554.491329
where:
bonds (distance) C4'-P energy: -109.180
bonds (distance) P-C4' energy: -117.809
flat angles C4'-P-C4' energy: -136.975
flat angles P-C4'-P energy: -71.909
tors. eta vs tors. theta energy: -118.618
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2926.086284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.086284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.402745 (E_RNA)
where:
Base-Base interactions energy: -2042.357
where: short stacking energy: -830.959
Base-Backbone interact. energy: -3.048
local terms energy: -881.998409
where:
bonds (distance) C4'-P energy: -160.340
bonds (distance) P-C4' energy: -177.002
flat angles C4'-P-C4' energy: -177.026
flat angles P-C4'-P energy: -125.392
tors. eta vs tors. theta energy: -242.239
Dist. restrs. and SS energy: 1.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2821.492510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.492510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.586906 (E_RNA)
where:
Base-Base interactions energy: -1928.502
where: short stacking energy: -808.651
Base-Backbone interact. energy: -3.893
local terms energy: -890.191998
where:
bonds (distance) C4'-P energy: -153.371
bonds (distance) P-C4' energy: -163.883
flat angles C4'-P-C4' energy: -193.796
flat angles P-C4'-P energy: -131.112
tors. eta vs tors. theta energy: -248.030
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2609.116773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.116773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.704416 (E_RNA)
where:
Base-Base interactions energy: -1782.485
where: short stacking energy: -785.480
Base-Backbone interact. energy: -5.069
local terms energy: -823.150073
where:
bonds (distance) C4'-P energy: -154.854
bonds (distance) P-C4' energy: -157.777
flat angles C4'-P-C4' energy: -167.990
flat angles P-C4'-P energy: -114.525
tors. eta vs tors. theta energy: -228.005
Dist. restrs. and SS energy: 1.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2505.678295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.678295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.991832 (E_RNA)
where:
Base-Base interactions energy: -1708.161
where: short stacking energy: -744.931
Base-Backbone interact. energy: -1.880
local terms energy: -797.951090
where:
bonds (distance) C4'-P energy: -138.208
bonds (distance) P-C4' energy: -158.594
flat angles C4'-P-C4' energy: -162.814
flat angles P-C4'-P energy: -121.279
tors. eta vs tors. theta energy: -217.056
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: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2379.290244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.444598 (E_RNA)
where:
Base-Base interactions energy: -1667.559
where: short stacking energy: -670.026
Base-Backbone interact. energy: 3.453
local terms energy: -717.338089
where:
bonds (distance) C4'-P energy: -127.559
bonds (distance) P-C4' energy: -139.704
flat angles C4'-P-C4' energy: -169.467
flat angles P-C4'-P energy: -93.553
tors. eta vs tors. theta energy: -187.054
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2243.554651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.554651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.036159 (E_RNA)
where:
Base-Base interactions energy: -1507.241
where: short stacking energy: -657.048
Base-Backbone interact. energy: 3.589
local terms energy: -741.384976
where:
bonds (distance) C4'-P energy: -139.065
bonds (distance) P-C4' energy: -142.577
flat angles C4'-P-C4' energy: -164.016
flat angles P-C4'-P energy: -112.672
tors. eta vs tors. theta energy: -183.056
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: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2120.242478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.623417 (E_RNA)
where:
Base-Base interactions energy: -1423.518
where: short stacking energy: -604.370
Base-Backbone interact. energy: -4.250
local terms energy: -694.855080
where:
bonds (distance) C4'-P energy: -139.249
bonds (distance) P-C4' energy: -143.487
flat angles C4'-P-C4' energy: -149.533
flat angles P-C4'-P energy: -92.075
tors. eta vs tors. theta energy: -170.511
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1990.449147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.449147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.459648 (E_RNA)
where:
Base-Base interactions energy: -1348.476
where: short stacking energy: -579.061
Base-Backbone interact. energy: 1.865
local terms energy: -645.849145
where:
bonds (distance) C4'-P energy: -144.656
bonds (distance) P-C4' energy: -125.240
flat angles C4'-P-C4' energy: -133.792
flat angles P-C4'-P energy: -93.506
tors. eta vs tors. theta energy: -148.656
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: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1941.828895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.828895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.194108 (E_RNA)
where:
Base-Base interactions energy: -1336.774
where: short stacking energy: -570.113
Base-Backbone interact. energy: 4.407
local terms energy: -613.827484
where:
bonds (distance) C4'-P energy: -114.275
bonds (distance) P-C4' energy: -116.899
flat angles C4'-P-C4' energy: -156.419
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -143.195
Dist. restrs. and SS energy: 4.365 (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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1797.934050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.934050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.806652 (E_RNA)
where:
Base-Base interactions energy: -1245.429
where: short stacking energy: -525.013
Base-Backbone interact. energy: -1.193
local terms energy: -554.185406
where:
bonds (distance) C4'-P energy: -137.892
bonds (distance) P-C4' energy: -129.465
flat angles C4'-P-C4' energy: -110.558
flat angles P-C4'-P energy: -57.319
tors. eta vs tors. theta energy: -118.952
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2945.456387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.456387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.326393 (E_RNA)
where:
Base-Base interactions energy: -2066.941
where: short stacking energy: -838.968
Base-Backbone interact. energy: -1.165
local terms energy: -879.220976
where:
bonds (distance) C4'-P energy: -154.201
bonds (distance) P-C4' energy: -165.396
flat angles C4'-P-C4' energy: -186.805
flat angles P-C4'-P energy: -132.942
tors. eta vs tors. theta energy: -239.877
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: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2802.358735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.358735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.654268 (E_RNA)
where:
Base-Base interactions energy: -1957.324
where: short stacking energy: -819.644
Base-Backbone interact. energy: -4.928
local terms energy: -841.402282
where:
bonds (distance) C4'-P energy: -148.196
bonds (distance) P-C4' energy: -149.321
flat angles C4'-P-C4' energy: -172.320
flat angles P-C4'-P energy: -128.050
tors. eta vs tors. theta energy: -243.514
Dist. restrs. and SS energy: 1.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2620.859561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.859561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.071345 (E_RNA)
where:
Base-Base interactions energy: -1797.039
where: short stacking energy: -778.065
Base-Backbone interact. energy: -1.582
local terms energy: -824.450238
where:
bonds (distance) C4'-P energy: -141.094
bonds (distance) P-C4' energy: -152.903
flat angles C4'-P-C4' energy: -178.387
flat angles P-C4'-P energy: -121.271
tors. eta vs tors. theta energy: -230.794
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2484.888588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.888588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.730457 (E_RNA)
where:
Base-Base interactions energy: -1686.327
where: short stacking energy: -720.265
Base-Backbone interact. energy: -2.658
local terms energy: -798.745258
where:
bonds (distance) C4'-P energy: -141.367
bonds (distance) P-C4' energy: -161.589
flat angles C4'-P-C4' energy: -175.904
flat angles P-C4'-P energy: -108.087
tors. eta vs tors. theta energy: -211.798
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2368.246725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.246725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.126911 (E_RNA)
where:
Base-Base interactions energy: -1652.510
where: short stacking energy: -682.528
Base-Backbone interact. energy: 1.059
local terms energy: -718.676080
where:
bonds (distance) C4'-P energy: -148.059
bonds (distance) P-C4' energy: -137.700
flat angles C4'-P-C4' energy: -159.229
flat angles P-C4'-P energy: -96.411
tors. eta vs tors. theta energy: -177.276
Dist. restrs. and SS energy: 1.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2247.742242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.742242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.404974 (E_RNA)
where:
Base-Base interactions energy: -1547.185
where: short stacking energy: -641.973
Base-Backbone interact. energy: 2.525
local terms energy: -705.744672
where:
bonds (distance) C4'-P energy: -131.905
bonds (distance) P-C4' energy: -147.149
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -99.807
tors. eta vs tors. theta energy: -181.949
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: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2117.213987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.213987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.617134 (E_RNA)
where:
Base-Base interactions energy: -1462.178
where: short stacking energy: -613.694
Base-Backbone interact. energy: 5.552
local terms energy: -663.991362
where:
bonds (distance) C4'-P energy: -144.754
bonds (distance) P-C4' energy: -135.953
flat angles C4'-P-C4' energy: -140.437
flat angles P-C4'-P energy: -91.035
tors. eta vs tors. theta energy: -151.812
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2003.198144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.198144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.021794 (E_RNA)
where:
Base-Base interactions energy: -1357.764
where: short stacking energy: -576.877
Base-Backbone interact. energy: -0.927
local terms energy: -648.331121
where:
bonds (distance) C4'-P energy: -121.502
bonds (distance) P-C4' energy: -142.746
flat angles C4'-P-C4' energy: -142.889
flat angles P-C4'-P energy: -97.873
tors. eta vs tors. theta energy: -143.322
Dist. restrs. and SS energy: 3.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1933.687646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.687646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.358705 (E_RNA)
where:
Base-Base interactions energy: -1295.635
where: short stacking energy: -532.177
Base-Backbone interact. energy: 2.560
local terms energy: -642.283625
where:
bonds (distance) C4'-P energy: -126.633
bonds (distance) P-C4' energy: -134.528
flat angles C4'-P-C4' energy: -139.449
flat angles P-C4'-P energy: -98.177
tors. eta vs tors. theta energy: -143.496
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1817.118761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.118761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.364157 (E_RNA)
where:
Base-Base interactions energy: -1242.637
where: short stacking energy: -516.492
Base-Backbone interact. energy: 2.986
local terms energy: -580.713630
where:
bonds (distance) C4'-P energy: -128.805
bonds (distance) P-C4' energy: -127.544
flat angles C4'-P-C4' energy: -125.086
flat angles P-C4'-P energy: -85.339
tors. eta vs tors. theta energy: -113.939
Dist. restrs. and SS energy: 3.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2914.485416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.485416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.032921 (E_RNA)
where:
Base-Base interactions energy: -2039.555
where: short stacking energy: -843.040
Base-Backbone interact. energy: -4.361
local terms energy: -874.117074
where:
bonds (distance) C4'-P energy: -164.415
bonds (distance) P-C4' energy: -165.797
flat angles C4'-P-C4' energy: -188.050
flat angles P-C4'-P energy: -111.045
tors. eta vs tors. theta energy: -244.808
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: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2791.120931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.120931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.423988 (E_RNA)
where:
Base-Base interactions energy: -1940.034
where: short stacking energy: -801.064
Base-Backbone interact. energy: -6.866
local terms energy: -845.524120
where:
bonds (distance) C4'-P energy: -147.074
bonds (distance) P-C4' energy: -154.474
flat angles C4'-P-C4' energy: -183.392
flat angles P-C4'-P energy: -118.760
tors. eta vs tors. theta energy: -241.824
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2666.626183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.626183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.124003 (E_RNA)
where:
Base-Base interactions energy: -1826.130
where: short stacking energy: -800.814
Base-Backbone interact. energy: -3.152
local terms energy: -838.841594
where:
bonds (distance) C4'-P energy: -165.650
bonds (distance) P-C4' energy: -149.002
flat angles C4'-P-C4' energy: -175.854
flat angles P-C4'-P energy: -111.766
tors. eta vs tors. theta energy: -236.570
Dist. restrs. and SS energy: 1.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2505.897577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.897577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.961733 (E_RNA)
where:
Base-Base interactions energy: -1703.664
where: short stacking energy: -739.321
Base-Backbone interact. energy: 2.650
local terms energy: -807.947438
where:
bonds (distance) C4'-P energy: -153.221
bonds (distance) P-C4' energy: -142.427
flat angles C4'-P-C4' energy: -177.799
flat angles P-C4'-P energy: -118.448
tors. eta vs tors. theta energy: -216.053
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: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2350.952113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.952113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.521131 (E_RNA)
where:
Base-Base interactions energy: -1644.725
where: short stacking energy: -687.785
Base-Backbone interact. energy: -5.414
local terms energy: -703.382088
where:
bonds (distance) C4'-P energy: -134.678
bonds (distance) P-C4' energy: -132.102
flat angles C4'-P-C4' energy: -163.269
flat angles P-C4'-P energy: -106.749
tors. eta vs tors. theta energy: -166.585
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: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2254.869159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.869159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.406915 (E_RNA)
where:
Base-Base interactions energy: -1538.264
where: short stacking energy: -640.968
Base-Backbone interact. energy: -2.200
local terms energy: -716.942583
where:
bonds (distance) C4'-P energy: -119.589
bonds (distance) P-C4' energy: -152.138
flat angles C4'-P-C4' energy: -164.963
flat angles P-C4'-P energy: -102.350
tors. eta vs tors. theta energy: -177.902
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: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2132.915380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.915380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.278890 (E_RNA)
where:
Base-Base interactions energy: -1418.341
where: short stacking energy: -630.248
Base-Backbone interact. energy: -2.500
local terms energy: -717.438232
where:
bonds (distance) C4'-P energy: -160.274
bonds (distance) P-C4' energy: -119.890
flat angles C4'-P-C4' energy: -173.269
flat angles P-C4'-P energy: -91.593
tors. eta vs tors. theta energy: -172.412
Dist. restrs. and SS energy: 5.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2008.725577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.725577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.198304 (E_RNA)
where:
Base-Base interactions energy: -1349.857
where: short stacking energy: -561.052
Base-Backbone interact. energy: -4.823
local terms energy: -659.518364
where:
bonds (distance) C4'-P energy: -115.036
bonds (distance) P-C4' energy: -147.062
flat angles C4'-P-C4' energy: -146.643
flat angles P-C4'-P energy: -99.342
tors. eta vs tors. theta energy: -151.435
Dist. restrs. and SS energy: 5.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1908.143993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.143993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.747667 (E_RNA)
where:
Base-Base interactions energy: -1296.008
where: short stacking energy: -549.212
Base-Backbone interact. energy: 0.043
local terms energy: -616.782513
where:
bonds (distance) C4'-P energy: -125.150
bonds (distance) P-C4' energy: -136.640
flat angles C4'-P-C4' energy: -141.173
flat angles P-C4'-P energy: -88.427
tors. eta vs tors. theta energy: -125.393
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: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1828.253835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.253835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.726402 (E_RNA)
where:
Base-Base interactions energy: -1223.626
where: short stacking energy: -508.924
Base-Backbone interact. energy: -0.863
local terms energy: -608.237096
where:
bonds (distance) C4'-P energy: -130.024
bonds (distance) P-C4' energy: -124.111
flat angles C4'-P-C4' energy: -132.354
flat angles P-C4'-P energy: -95.884
tors. eta vs tors. theta energy: -125.865
Dist. restrs. and SS energy: 4.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2880.096868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.096868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.936656 (E_RNA)
where:
Base-Base interactions energy: -2013.129
where: short stacking energy: -833.745
Base-Backbone interact. energy: -3.309
local terms energy: -865.497962
where:
bonds (distance) C4'-P energy: -159.160
bonds (distance) P-C4' energy: -169.859
flat angles C4'-P-C4' energy: -184.424
flat angles P-C4'-P energy: -122.005
tors. eta vs tors. theta energy: -230.051
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: 284
Temperature: 0.950000
Total energy: -2779.397038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.129968 (E_RNA)
where:
Base-Base interactions energy: -1936.136
where: short stacking energy: -807.637
Base-Backbone interact. energy: -4.340
local terms energy: -840.653481
where:
bonds (distance) C4'-P energy: -138.731
bonds (distance) P-C4' energy: -157.288
flat angles C4'-P-C4' energy: -178.365
flat angles P-C4'-P energy: -125.959
tors. eta vs tors. theta energy: -240.310
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: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2653.147071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.147071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.718864 (E_RNA)
where:
Base-Base interactions energy: -1810.887
where: short stacking energy: -786.115
Base-Backbone interact. energy: -1.880
local terms energy: -842.952146
where:
bonds (distance) C4'-P energy: -164.936
bonds (distance) P-C4' energy: -146.501
flat angles C4'-P-C4' energy: -177.423
flat angles P-C4'-P energy: -128.164
tors. eta vs tors. theta energy: -225.928
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: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2516.239950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.239950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.124956 (E_RNA)
where:
Base-Base interactions energy: -1709.867
where: short stacking energy: -746.354
Base-Backbone interact. energy: -1.893
local terms energy: -805.365094
where:
bonds (distance) C4'-P energy: -152.626
bonds (distance) P-C4' energy: -151.783
flat angles C4'-P-C4' energy: -165.836
flat angles P-C4'-P energy: -113.246
tors. eta vs tors. theta energy: -221.874
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2365.618092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.618092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.844241 (E_RNA)
where:
Base-Base interactions energy: -1616.506
where: short stacking energy: -672.867
Base-Backbone interact. energy: -1.084
local terms energy: -749.255088
where:
bonds (distance) C4'-P energy: -156.326
bonds (distance) P-C4' energy: -152.594
flat angles C4'-P-C4' energy: -164.166
flat angles P-C4'-P energy: -95.582
tors. eta vs tors. theta energy: -180.585
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2271.432887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.432887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.506236 (E_RNA)
where:
Base-Base interactions energy: -1573.150
where: short stacking energy: -676.082
Base-Backbone interact. energy: -0.477
local terms energy: -699.879242
where:
bonds (distance) C4'-P energy: -149.434
bonds (distance) P-C4' energy: -135.870
flat angles C4'-P-C4' energy: -145.612
flat angles P-C4'-P energy: -92.137
tors. eta vs tors. theta energy: -176.826
Dist. restrs. and SS energy: 2.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2078.914783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.914783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.788416 (E_RNA)
where:
Base-Base interactions energy: -1411.570
where: short stacking energy: -604.279
Base-Backbone interact. energy: 5.201
local terms energy: -676.419567
where:
bonds (distance) C4'-P energy: -132.400
bonds (distance) P-C4' energy: -136.826
flat angles C4'-P-C4' energy: -147.936
flat angles P-C4'-P energy: -96.290
tors. eta vs tors. theta energy: -162.968
Dist. restrs. and SS energy: 3.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2114.532315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.532315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.207115 (E_RNA)
where:
Base-Base interactions energy: -1417.176
where: short stacking energy: -584.196
Base-Backbone interact. energy: -2.223
local terms energy: -696.808281
where:
bonds (distance) C4'-P energy: -129.533
bonds (distance) P-C4' energy: -150.005
flat angles C4'-P-C4' energy: -160.088
flat angles P-C4'-P energy: -93.439
tors. eta vs tors. theta energy: -163.744
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: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1870.336005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.336005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.412870 (E_RNA)
where:
Base-Base interactions energy: -1268.885
where: short stacking energy: -523.613
Base-Backbone interact. energy: 2.422
local terms energy: -607.949790
where:
bonds (distance) C4'-P energy: -125.563
bonds (distance) P-C4' energy: -136.778
flat angles C4'-P-C4' energy: -137.729
flat angles P-C4'-P energy: -83.034
tors. eta vs tors. theta energy: -124.847
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1844.583422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.583422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.519651 (E_RNA)
where:
Base-Base interactions energy: -1272.636
where: short stacking energy: -533.683
Base-Backbone interact. energy: -3.742
local terms energy: -570.142515
where:
bonds (distance) C4'-P energy: -114.444
bonds (distance) P-C4' energy: -118.720
flat angles C4'-P-C4' energy: -131.092
flat angles P-C4'-P energy: -82.659
tors. eta vs tors. theta energy: -123.228
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: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2895.980351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.980351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.574240 (E_RNA)
where:
Base-Base interactions energy: -2025.129
where: short stacking energy: -833.226
Base-Backbone interact. energy: -2.113
local terms energy: -870.331867
where:
bonds (distance) C4'-P energy: -165.132
bonds (distance) P-C4' energy: -160.634
flat angles C4'-P-C4' energy: -173.414
flat angles P-C4'-P energy: -125.957
tors. eta vs tors. theta energy: -245.194
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2811.472618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.472618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.231104 (E_RNA)
where:
Base-Base interactions energy: -1948.313
where: short stacking energy: -843.418
Base-Backbone interact. energy: -1.634
local terms energy: -863.284398
where:
bonds (distance) C4'-P energy: -148.906
bonds (distance) P-C4' energy: -151.677
flat angles C4'-P-C4' energy: -196.534
flat angles P-C4'-P energy: -119.554
tors. eta vs tors. theta energy: -246.613
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2649.524956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.524956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.058631 (E_RNA)
where:
Base-Base interactions energy: -1810.071
where: short stacking energy: -770.384
Base-Backbone interact. energy: -2.707
local terms energy: -838.280268
where:
bonds (distance) C4'-P energy: -152.796
bonds (distance) P-C4' energy: -163.635
flat angles C4'-P-C4' energy: -187.330
flat angles P-C4'-P energy: -110.301
tors. eta vs tors. theta energy: -224.217
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2490.389846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.389846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.002131 (E_RNA)
where:
Base-Base interactions energy: -1683.533
where: short stacking energy: -722.973
Base-Backbone interact. energy: -0.841
local terms energy: -807.628815
where:
bonds (distance) C4'-P energy: -151.667
bonds (distance) P-C4' energy: -143.390
flat angles C4'-P-C4' energy: -180.264
flat angles P-C4'-P energy: -107.577
tors. eta vs tors. theta energy: -224.731
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: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2341.046677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.046677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.059379 (E_RNA)
where:
Base-Base interactions energy: -1597.596
where: short stacking energy: -677.564
Base-Backbone interact. energy: 6.094
local terms energy: -751.557565
where:
bonds (distance) C4'-P energy: -137.300
bonds (distance) P-C4' energy: -148.782
flat angles C4'-P-C4' energy: -172.013
flat angles P-C4'-P energy: -119.640
tors. eta vs tors. theta energy: -173.823
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2272.689956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.689956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.220080 (E_RNA)
where:
Base-Base interactions energy: -1579.510
where: short stacking energy: -682.349
Base-Backbone interact. energy: -3.689
local terms energy: -693.021670
where:
bonds (distance) C4'-P energy: -140.584
bonds (distance) P-C4' energy: -140.436
flat angles C4'-P-C4' energy: -143.626
flat angles P-C4'-P energy: -79.002
tors. eta vs tors. theta energy: -189.373
Dist. restrs. and SS energy: 3.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2078.169058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.169058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.117287 (E_RNA)
where:
Base-Base interactions energy: -1410.912
where: short stacking energy: -611.173
Base-Backbone interact. energy: -1.933
local terms energy: -669.271934
where:
bonds (distance) C4'-P energy: -125.853
bonds (distance) P-C4' energy: -128.692
flat angles C4'-P-C4' energy: -156.435
flat angles P-C4'-P energy: -93.037
tors. eta vs tors. theta energy: -165.255
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2068.141200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.141200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.337749 (E_RNA)
where:
Base-Base interactions energy: -1431.250
where: short stacking energy: -606.235
Base-Backbone interact. energy: -1.525
local terms energy: -639.562571
where:
bonds (distance) C4'-P energy: -112.942
bonds (distance) P-C4' energy: -138.059
flat angles C4'-P-C4' energy: -147.577
flat angles P-C4'-P energy: -89.485
tors. eta vs tors. theta energy: -151.500
Dist. restrs. and SS energy: 4.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1932.455628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.455628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.032055 (E_RNA)
where:
Base-Base interactions energy: -1314.909
where: short stacking energy: -558.844
Base-Backbone interact. energy: -0.221
local terms energy: -619.901386
where:
bonds (distance) C4'-P energy: -146.629
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -134.245
flat angles P-C4'-P energy: -80.199
tors. eta vs tors. theta energy: -140.791
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: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1848.889203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.889203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.104496 (E_RNA)
where:
Base-Base interactions energy: -1258.573
where: short stacking energy: -513.147
Base-Backbone interact. energy: 4.415
local terms energy: -596.946003
where:
bonds (distance) C4'-P energy: -109.815
bonds (distance) P-C4' energy: -125.056
flat angles C4'-P-C4' energy: -142.407
flat angles P-C4'-P energy: -87.206
tors. eta vs tors. theta energy: -132.462
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: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2885.646079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.646079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.994095 (E_RNA)
where:
Base-Base interactions energy: -1996.982
where: short stacking energy: -822.107
Base-Backbone interact. energy: -3.501
local terms energy: -886.510972
where:
bonds (distance) C4'-P energy: -172.962
bonds (distance) P-C4' energy: -147.108
flat angles C4'-P-C4' energy: -186.258
flat angles P-C4'-P energy: -133.635
tors. eta vs tors. theta energy: -246.548
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: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2793.339759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.339759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.525132 (E_RNA)
where:
Base-Base interactions energy: -1920.928
where: short stacking energy: -838.860
Base-Backbone interact. energy: -3.278
local terms energy: -870.318570
where:
bonds (distance) C4'-P energy: -151.527
bonds (distance) P-C4' energy: -160.929
flat angles C4'-P-C4' energy: -173.804
flat angles P-C4'-P energy: -129.403
tors. eta vs tors. theta energy: -254.656
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2623.552912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.552912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.779185 (E_RNA)
where:
Base-Base interactions energy: -1783.472
where: short stacking energy: -756.459
Base-Backbone interact. energy: -1.220
local terms energy: -840.087757
where:
bonds (distance) C4'-P energy: -157.417
bonds (distance) P-C4' energy: -155.935
flat angles C4'-P-C4' energy: -179.619
flat angles P-C4'-P energy: -115.230
tors. eta vs tors. theta energy: -231.888
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2478.495838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.495838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.024900 (E_RNA)
where:
Base-Base interactions energy: -1674.397
where: short stacking energy: -728.192
Base-Backbone interact. energy: 4.829
local terms energy: -810.456245
where:
bonds (distance) C4'-P energy: -152.114
bonds (distance) P-C4' energy: -153.541
flat angles C4'-P-C4' energy: -184.452
flat angles P-C4'-P energy: -102.162
tors. eta vs tors. theta energy: -218.188
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2367.433488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.433488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.380227 (E_RNA)
where:
Base-Base interactions energy: -1630.332
where: short stacking energy: -673.933
Base-Backbone interact. energy: 2.996
local terms energy: -742.043490
where:
bonds (distance) C4'-P energy: -140.390
bonds (distance) P-C4' energy: -143.495
flat angles C4'-P-C4' energy: -162.100
flat angles P-C4'-P energy: -99.113
tors. eta vs tors. theta energy: -196.945
Dist. restrs. and SS energy: 1.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2269.648278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.648278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.020360 (E_RNA)
where:
Base-Base interactions energy: -1546.443
where: short stacking energy: -662.824
Base-Backbone interact. energy: -0.652
local terms energy: -723.925303
where:
bonds (distance) C4'-P energy: -135.790
bonds (distance) P-C4' energy: -146.908
flat angles C4'-P-C4' energy: -162.083
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -177.880
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2121.898177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.898177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.186055 (E_RNA)
where:
Base-Base interactions energy: -1425.574
where: short stacking energy: -605.649
Base-Backbone interact. energy: 0.925
local terms energy: -700.536844
where:
bonds (distance) C4'-P energy: -137.369
bonds (distance) P-C4' energy: -132.391
flat angles C4'-P-C4' energy: -158.414
flat angles P-C4'-P energy: -104.693
tors. eta vs tors. theta energy: -167.670
Dist. restrs. and SS energy: 3.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2028.893665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.893665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.130566 (E_RNA)
where:
Base-Base interactions energy: -1403.287
where: short stacking energy: -587.789
Base-Backbone interact. energy: -2.077
local terms energy: -625.766327
where:
bonds (distance) C4'-P energy: -122.671
bonds (distance) P-C4' energy: -131.931
flat angles C4'-P-C4' energy: -130.041
flat angles P-C4'-P energy: -93.724
tors. eta vs tors. theta energy: -147.399
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: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1873.427154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.427154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.650414 (E_RNA)
where:
Base-Base interactions energy: -1287.640
where: short stacking energy: -560.894
Base-Backbone interact. energy: -2.388
local terms energy: -587.622422
where:
bonds (distance) C4'-P energy: -124.073
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -140.832
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -133.903
Dist. restrs. and SS energy: 4.223 (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: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1880.261051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.261051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.371888 (E_RNA)
where:
Base-Base interactions energy: -1281.061
where: short stacking energy: -539.952
Base-Backbone interact. energy: -3.457
local terms energy: -598.854183
where:
bonds (distance) C4'-P energy: -119.889
bonds (distance) P-C4' energy: -125.804
flat angles C4'-P-C4' energy: -149.516
flat angles P-C4'-P energy: -72.433
tors. eta vs tors. theta energy: -131.213
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2906.291929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.291929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.744309 (E_RNA)
where:
Base-Base interactions energy: -2038.994
where: short stacking energy: -836.435
Base-Backbone interact. energy: -1.869
local terms energy: -867.881715
where:
bonds (distance) C4'-P energy: -157.615
bonds (distance) P-C4' energy: -152.931
flat angles C4'-P-C4' energy: -178.717
flat angles P-C4'-P energy: -130.349
tors. eta vs tors. theta energy: -248.269
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2775.242856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.242856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.792654 (E_RNA)
where:
Base-Base interactions energy: -1928.881
where: short stacking energy: -821.849
Base-Backbone interact. energy: -1.709
local terms energy: -846.203281
where:
bonds (distance) C4'-P energy: -161.463
bonds (distance) P-C4' energy: -148.796
flat angles C4'-P-C4' energy: -178.481
flat angles P-C4'-P energy: -105.540
tors. eta vs tors. theta energy: -251.924
Dist. restrs. and SS energy: 1.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2625.100419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.100419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.553828 (E_RNA)
where:
Base-Base interactions energy: -1797.195
where: short stacking energy: -764.083
Base-Backbone interact. energy: 6.648
local terms energy: -836.006220
where:
bonds (distance) C4'-P energy: -151.583
bonds (distance) P-C4' energy: -157.425
flat angles C4'-P-C4' energy: -188.424
flat angles P-C4'-P energy: -118.785
tors. eta vs tors. theta energy: -219.789
Dist. restrs. and SS energy: 1.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2425.079098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.079098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.962747 (E_RNA)
where:
Base-Base interactions energy: -1618.603
where: short stacking energy: -708.366
Base-Backbone interact. energy: 0.605
local terms energy: -808.964225
where:
bonds (distance) C4'-P energy: -148.284
bonds (distance) P-C4' energy: -152.612
flat angles C4'-P-C4' energy: -178.032
flat angles P-C4'-P energy: -115.147
tors. eta vs tors. theta energy: -214.889
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: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2382.294217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.294217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.629559 (E_RNA)
where:
Base-Base interactions energy: -1645.965
where: short stacking energy: -687.942
Base-Backbone interact. energy: 0.199
local terms energy: -739.863523
where:
bonds (distance) C4'-P energy: -145.408
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -158.099
flat angles P-C4'-P energy: -95.092
tors. eta vs tors. theta energy: -194.861
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: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2261.825978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.825978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.510462 (E_RNA)
where:
Base-Base interactions energy: -1531.247
where: short stacking energy: -647.810
Base-Backbone interact. energy: 4.435
local terms energy: -735.698126
where:
bonds (distance) C4'-P energy: -139.215
bonds (distance) P-C4' energy: -148.348
flat angles C4'-P-C4' energy: -155.244
flat angles P-C4'-P energy: -102.473
tors. eta vs tors. theta energy: -190.418
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: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2144.563693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.563693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.207407 (E_RNA)
where:
Base-Base interactions energy: -1445.206
where: short stacking energy: -657.093
Base-Backbone interact. energy: -3.913
local terms energy: -700.088711
where:
bonds (distance) C4'-P energy: -130.753
bonds (distance) P-C4' energy: -130.530
flat angles C4'-P-C4' energy: -149.827
flat angles P-C4'-P energy: -108.063
tors. eta vs tors. theta energy: -180.915
Dist. restrs. and SS energy: 4.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1966.301485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.771131 (E_RNA)
where:
Base-Base interactions energy: -1302.714
where: short stacking energy: -560.047
Base-Backbone interact. energy: -1.995
local terms energy: -665.061915
where:
bonds (distance) C4'-P energy: -124.943
bonds (distance) P-C4' energy: -150.813
flat angles C4'-P-C4' energy: -139.825
flat angles P-C4'-P energy: -100.965
tors. eta vs tors. theta energy: -148.517
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: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1878.284347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.284347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.611559 (E_RNA)
where:
Base-Base interactions energy: -1283.540
where: short stacking energy: -533.610
Base-Backbone interact. energy: -1.583
local terms energy: -597.488698
where:
bonds (distance) C4'-P energy: -121.013
bonds (distance) P-C4' energy: -117.078
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -139.822
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1869.545392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.545392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.385193 (E_RNA)
where:
Base-Base interactions energy: -1238.627
where: short stacking energy: -509.785
Base-Backbone interact. energy: 1.382
local terms energy: -636.139379
where:
bonds (distance) C4'-P energy: -146.853
bonds (distance) P-C4' energy: -138.161
flat angles C4'-P-C4' energy: -151.840
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -125.852
Dist. restrs. and SS energy: 3.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2915.825461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.825461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.260481 (E_RNA)
where:
Base-Base interactions energy: -2039.607
where: short stacking energy: -835.590
Base-Backbone interact. energy: -2.207
local terms energy: -875.446916
where:
bonds (distance) C4'-P energy: -157.685
bonds (distance) P-C4' energy: -161.627
flat angles C4'-P-C4' energy: -189.079
flat angles P-C4'-P energy: -129.789
tors. eta vs tors. theta energy: -237.268
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: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2789.735222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.735222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.636706 (E_RNA)
where:
Base-Base interactions energy: -1932.022
where: short stacking energy: -825.896
Base-Backbone interact. energy: -0.342
local terms energy: -858.272930
where:
bonds (distance) C4'-P energy: -134.163
bonds (distance) P-C4' energy: -172.537
flat angles C4'-P-C4' energy: -180.511
flat angles P-C4'-P energy: -130.960
tors. eta vs tors. theta energy: -240.102
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2603.645172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.645172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.612863 (E_RNA)
where:
Base-Base interactions energy: -1804.787
where: short stacking energy: -768.108
Base-Backbone interact. energy: -3.309
local terms energy: -797.516270
where:
bonds (distance) C4'-P energy: -133.154
bonds (distance) P-C4' energy: -157.715
flat angles C4'-P-C4' energy: -175.861
flat angles P-C4'-P energy: -108.996
tors. eta vs tors. theta energy: -221.791
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: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2470.478578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.478578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.214885 (E_RNA)
where:
Base-Base interactions energy: -1668.616
where: short stacking energy: -757.680
Base-Backbone interact. energy: -2.205
local terms energy: -801.393817
where:
bonds (distance) C4'-P energy: -158.322
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -178.881
flat angles P-C4'-P energy: -113.073
tors. eta vs tors. theta energy: -213.725
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: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2386.570863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.570863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.849029 (E_RNA)
where:
Base-Base interactions energy: -1645.665
where: short stacking energy: -691.844
Base-Backbone interact. energy: -5.413
local terms energy: -737.771298
where:
bonds (distance) C4'-P energy: -140.099
bonds (distance) P-C4' energy: -140.670
flat angles C4'-P-C4' energy: -162.995
flat angles P-C4'-P energy: -115.872
tors. eta vs tors. theta energy: -178.136
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: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2275.991542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.991542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.206399 (E_RNA)
where:
Base-Base interactions energy: -1560.725
where: short stacking energy: -671.857
Base-Backbone interact. energy: -3.998
local terms energy: -713.483281
where:
bonds (distance) C4'-P energy: -121.852
bonds (distance) P-C4' energy: -147.130
flat angles C4'-P-C4' energy: -156.867
flat angles P-C4'-P energy: -105.005
tors. eta vs tors. theta energy: -182.630
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: 288
Temperature: 1.200000
Total energy: -2118.233270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.233270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.706434 (E_RNA)
where:
Base-Base interactions energy: -1437.191
where: short stacking energy: -614.135
Base-Backbone interact. energy: 0.532
local terms energy: -685.047205
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -122.715
flat angles C4'-P-C4' energy: -154.257
flat angles P-C4'-P energy: -113.648
tors. eta vs tors. theta energy: -174.665
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2015.932657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.932657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.348259 (E_RNA)
where:
Base-Base interactions energy: -1380.845
where: short stacking energy: -612.319
Base-Backbone interact. energy: -0.323
local terms energy: -637.181146
where:
bonds (distance) C4'-P energy: -124.636
bonds (distance) P-C4' energy: -128.231
flat angles C4'-P-C4' energy: -144.468
flat angles P-C4'-P energy: -81.145
tors. eta vs tors. theta energy: -158.702
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: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1916.910938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.840506 (E_RNA)
where:
Base-Base interactions energy: -1327.586
where: short stacking energy: -560.709
Base-Backbone interact. energy: 5.267
local terms energy: -598.521650
where:
bonds (distance) C4'-P energy: -105.209
bonds (distance) P-C4' energy: -133.700
flat angles C4'-P-C4' energy: -148.162
flat angles P-C4'-P energy: -65.978
tors. eta vs tors. theta energy: -145.473
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1820.025973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.025973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.290773 (E_RNA)
where:
Base-Base interactions energy: -1239.085
where: short stacking energy: -512.857
Base-Backbone interact. energy: 0.880
local terms energy: -584.085948
where:
bonds (distance) C4'-P energy: -118.254
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -89.084
tors. eta vs tors. theta energy: -124.041
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: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2912.250185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.250185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.327754 (E_RNA)
where:
Base-Base interactions energy: -2024.554
where: short stacking energy: -851.317
Base-Backbone interact. energy: -2.424
local terms energy: -886.350159
where:
bonds (distance) C4'-P energy: -173.204
bonds (distance) P-C4' energy: -167.287
flat angles C4'-P-C4' energy: -170.877
flat angles P-C4'-P energy: -128.756
tors. eta vs tors. theta energy: -246.226
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2814.286574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.286574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.880265 (E_RNA)
where:
Base-Base interactions energy: -1924.966
where: short stacking energy: -836.174
Base-Backbone interact. energy: -1.616
local terms energy: -889.298562
where:
bonds (distance) C4'-P energy: -162.750
bonds (distance) P-C4' energy: -154.720
flat angles C4'-P-C4' energy: -177.241
flat angles P-C4'-P energy: -136.162
tors. eta vs tors. theta energy: -258.426
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2643.091245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.091245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.706280 (E_RNA)
where:
Base-Base interactions energy: -1811.270
where: short stacking energy: -778.654
Base-Backbone interact. energy: -2.194
local terms energy: -831.242446
where:
bonds (distance) C4'-P energy: -159.789
bonds (distance) P-C4' energy: -153.773
flat angles C4'-P-C4' energy: -180.086
flat angles P-C4'-P energy: -102.128
tors. eta vs tors. theta energy: -235.466
Dist. restrs. and SS energy: 1.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2459.110166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.110166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.563465 (E_RNA)
where:
Base-Base interactions energy: -1703.364
where: short stacking energy: -750.633
Base-Backbone interact. energy: -4.182
local terms energy: -753.017165
where:
bonds (distance) C4'-P energy: -131.504
bonds (distance) P-C4' energy: -132.864
flat angles C4'-P-C4' energy: -168.235
flat angles P-C4'-P energy: -119.117
tors. eta vs tors. theta energy: -201.297
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2398.340093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.340093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.328485 (E_RNA)
where:
Base-Base interactions energy: -1599.832
where: short stacking energy: -703.069
Base-Backbone interact. energy: -2.895
local terms energy: -797.601153
where:
bonds (distance) C4'-P energy: -161.202
bonds (distance) P-C4' energy: -150.876
flat angles C4'-P-C4' energy: -171.876
flat angles P-C4'-P energy: -108.622
tors. eta vs tors. theta energy: -205.025
Dist. restrs. and SS energy: 1.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2277.120636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.120636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.826543 (E_RNA)
where:
Base-Base interactions energy: -1552.297
where: short stacking energy: -659.852
Base-Backbone interact. energy: 1.541
local terms energy: -728.069771
where:
bonds (distance) C4'-P energy: -143.400
bonds (distance) P-C4' energy: -130.316
flat angles C4'-P-C4' energy: -164.349
flat angles P-C4'-P energy: -105.262
tors. eta vs tors. theta energy: -184.742
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: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2141.677960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.677960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.318114 (E_RNA)
where:
Base-Base interactions energy: -1431.923
where: short stacking energy: -628.904
Base-Backbone interact. energy: 6.835
local terms energy: -719.229799
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -161.198
flat angles C4'-P-C4' energy: -163.954
flat angles P-C4'-P energy: -99.995
tors. eta vs tors. theta energy: -173.231
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1977.575570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.575570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.014659 (E_RNA)
where:
Base-Base interactions energy: -1361.363
where: short stacking energy: -582.350
Base-Backbone interact. energy: 7.374
local terms energy: -626.025218
where:
bonds (distance) C4'-P energy: -128.957
bonds (distance) P-C4' energy: -144.155
flat angles C4'-P-C4' energy: -130.128
flat angles P-C4'-P energy: -69.119
tors. eta vs tors. theta energy: -153.667
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: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1952.796224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.796224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.649386 (E_RNA)
where:
Base-Base interactions energy: -1336.706
where: short stacking energy: -561.174
Base-Backbone interact. energy: 2.781
local terms energy: -621.724363
where:
bonds (distance) C4'-P energy: -134.307
bonds (distance) P-C4' energy: -127.920
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -93.924
tors. eta vs tors. theta energy: -133.646
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: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1828.362071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.368349 (E_RNA)
where:
Base-Base interactions energy: -1236.840
where: short stacking energy: -516.974
Base-Backbone interact. energy: 0.659
local terms energy: -596.187230
where:
bonds (distance) C4'-P energy: -145.808
bonds (distance) P-C4' energy: -89.676
flat angles C4'-P-C4' energy: -132.856
flat angles P-C4'-P energy: -90.059
tors. eta vs tors. theta energy: -137.789
Dist. restrs. and SS energy: 4.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2891.374325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.374325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.480460 (E_RNA)
where:
Base-Base interactions energy: -2012.549
where: short stacking energy: -833.795
Base-Backbone interact. energy: -5.340
local terms energy: -874.591595
where:
bonds (distance) C4'-P energy: -161.337
bonds (distance) P-C4' energy: -161.006
flat angles C4'-P-C4' energy: -186.989
flat angles P-C4'-P energy: -115.711
tors. eta vs tors. theta energy: -249.549
Dist. restrs. and SS energy: 1.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2855.921777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.921777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.708386 (E_RNA)
where:
Base-Base interactions energy: -1953.063
where: short stacking energy: -845.274
Base-Backbone interact. energy: -4.688
local terms energy: -899.957374
where:
bonds (distance) C4'-P energy: -167.229
bonds (distance) P-C4' energy: -154.158
flat angles C4'-P-C4' energy: -181.459
flat angles P-C4'-P energy: -132.867
tors. eta vs tors. theta energy: -264.244
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2634.808175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.808175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.482152 (E_RNA)
where:
Base-Base interactions energy: -1789.058
where: short stacking energy: -773.710
Base-Backbone interact. energy: -1.470
local terms energy: -845.954659
where:
bonds (distance) C4'-P energy: -135.173
bonds (distance) P-C4' energy: -177.925
flat angles C4'-P-C4' energy: -177.359
flat angles P-C4'-P energy: -117.581
tors. eta vs tors. theta energy: -237.917
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2482.634184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.634184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.894471 (E_RNA)
where:
Base-Base interactions energy: -1732.224
where: short stacking energy: -747.131
Base-Backbone interact. energy: 1.696
local terms energy: -754.366363
where:
bonds (distance) C4'-P energy: -139.516
bonds (distance) P-C4' energy: -157.984
flat angles C4'-P-C4' energy: -156.032
flat angles P-C4'-P energy: -103.071
tors. eta vs tors. theta energy: -197.763
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2387.460785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.460785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.148791 (E_RNA)
where:
Base-Base interactions energy: -1616.893
where: short stacking energy: -697.411
Base-Backbone interact. energy: -3.181
local terms energy: -769.074774
where:
bonds (distance) C4'-P energy: -137.514
bonds (distance) P-C4' energy: -142.020
flat angles C4'-P-C4' energy: -165.298
flat angles P-C4'-P energy: -109.408
tors. eta vs tors. theta energy: -214.835
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2212.648165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.648165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.728344 (E_RNA)
where:
Base-Base interactions energy: -1491.206
where: short stacking energy: -602.924
Base-Backbone interact. energy: 1.884
local terms energy: -724.406650
where:
bonds (distance) C4'-P energy: -153.971
bonds (distance) P-C4' energy: -150.391
flat angles C4'-P-C4' energy: -173.386
flat angles P-C4'-P energy: -87.181
tors. eta vs tors. theta energy: -159.478
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: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2152.914408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.914408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.046334 (E_RNA)
where:
Base-Base interactions energy: -1470.899
where: short stacking energy: -625.082
Base-Backbone interact. energy: -2.295
local terms energy: -681.851705
where:
bonds (distance) C4'-P energy: -127.223
bonds (distance) P-C4' energy: -153.709
flat angles C4'-P-C4' energy: -142.571
flat angles P-C4'-P energy: -90.974
tors. eta vs tors. theta energy: -167.376
Dist. restrs. and SS energy: 2.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1956.158503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.158503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.967718 (E_RNA)
where:
Base-Base interactions energy: -1332.937
where: short stacking energy: -560.256
Base-Backbone interact. energy: -1.071
local terms energy: -624.960432
where:
bonds (distance) C4'-P energy: -145.384
bonds (distance) P-C4' energy: -121.660
flat angles C4'-P-C4' energy: -130.915
flat angles P-C4'-P energy: -80.956
tors. eta vs tors. theta energy: -146.046
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: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1954.799613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.799613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.172936 (E_RNA)
where:
Base-Base interactions energy: -1325.619
where: short stacking energy: -552.990
Base-Backbone interact. energy: 3.849
local terms energy: -638.402860
where:
bonds (distance) C4'-P energy: -134.063
bonds (distance) P-C4' energy: -149.114
flat angles C4'-P-C4' energy: -144.390
flat angles P-C4'-P energy: -82.303
tors. eta vs tors. theta energy: -128.533
Dist. restrs. and SS energy: 5.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -1850.663664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.690713 (E_RNA)
where:
Base-Base interactions energy: -1278.610
where: short stacking energy: -526.721
Base-Backbone interact. energy: 2.622
local terms energy: -577.702562
where:
bonds (distance) C4'-P energy: -107.182
bonds (distance) P-C4' energy: -130.594
flat angles C4'-P-C4' energy: -131.226
flat angles P-C4'-P energy: -84.853
tors. eta vs tors. theta energy: -123.848
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: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2912.585340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.585340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.828718 (E_RNA)
where:
Base-Base interactions energy: -2015.381
where: short stacking energy: -843.633
Base-Backbone interact. energy: -3.982
local terms energy: -894.465298
where:
bonds (distance) C4'-P energy: -170.242
bonds (distance) P-C4' energy: -177.619
flat angles C4'-P-C4' energy: -194.881
flat angles P-C4'-P energy: -113.881
tors. eta vs tors. theta energy: -237.842
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: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2854.941041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.941041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.605439 (E_RNA)
where:
Base-Base interactions energy: -2007.862
where: short stacking energy: -849.763
Base-Backbone interact. energy: -2.486
local terms energy: -846.257510
where:
bonds (distance) C4'-P energy: -150.429
bonds (distance) P-C4' energy: -138.709
flat angles C4'-P-C4' energy: -188.014
flat angles P-C4'-P energy: -122.099
tors. eta vs tors. theta energy: -247.007
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: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2627.083869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.083869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.534754 (E_RNA)
where:
Base-Base interactions energy: -1801.301
where: short stacking energy: -781.508
Base-Backbone interact. energy: 0.063
local terms energy: -828.296619
where:
bonds (distance) C4'-P energy: -156.989
bonds (distance) P-C4' energy: -153.751
flat angles C4'-P-C4' energy: -171.610
flat angles P-C4'-P energy: -115.464
tors. eta vs tors. theta energy: -230.482
Dist. restrs. and SS energy: 2.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2539.034630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.034630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.379746 (E_RNA)
where:
Base-Base interactions energy: -1773.185
where: short stacking energy: -751.488
Base-Backbone interact. energy: -2.825
local terms energy: -765.369223
where:
bonds (distance) C4'-P energy: -137.953
bonds (distance) P-C4' energy: -138.452
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -105.081
tors. eta vs tors. theta energy: -221.169
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: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2386.331949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.331949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.517723 (E_RNA)
where:
Base-Base interactions energy: -1591.243
where: short stacking energy: -696.326
Base-Backbone interact. energy: -1.184
local terms energy: -796.090088
where:
bonds (distance) C4'-P energy: -150.659
bonds (distance) P-C4' energy: -153.193
flat angles C4'-P-C4' energy: -175.532
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -215.149
Dist. restrs. and SS energy: 2.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2238.040328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.040328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.540038 (E_RNA)
where:
Base-Base interactions energy: -1518.932
where: short stacking energy: -618.123
Base-Backbone interact. energy: 0.322
local terms energy: -721.929598
where:
bonds (distance) C4'-P energy: -147.109
bonds (distance) P-C4' energy: -141.555
flat angles C4'-P-C4' energy: -162.833
flat angles P-C4'-P energy: -111.355
tors. eta vs tors. theta energy: -159.077
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2179.729361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.729361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.847929 (E_RNA)
where:
Base-Base interactions energy: -1464.057
where: short stacking energy: -632.181
Base-Backbone interact. energy: -2.556
local terms energy: -716.235484
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -156.251
flat angles C4'-P-C4' energy: -155.989
flat angles P-C4'-P energy: -82.395
tors. eta vs tors. theta energy: -177.292
Dist. restrs. and SS energy: 3.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1987.516536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.516536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.790696 (E_RNA)
where:
Base-Base interactions energy: -1309.679
where: short stacking energy: -568.384
Base-Backbone interact. energy: -0.957
local terms energy: -680.155336
where:
bonds (distance) C4'-P energy: -145.116
bonds (distance) P-C4' energy: -157.685
flat angles C4'-P-C4' energy: -139.947
flat angles P-C4'-P energy: -98.700
tors. eta vs tors. theta energy: -138.708
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: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1907.592781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.592781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.821276 (E_RNA)
where:
Base-Base interactions energy: -1257.955
where: short stacking energy: -536.822
Base-Backbone interact. energy: 3.507
local terms energy: -657.373790
where:
bonds (distance) C4'-P energy: -119.621
bonds (distance) P-C4' energy: -125.373
flat angles C4'-P-C4' energy: -151.825
flat angles P-C4'-P energy: -120.323
tors. eta vs tors. theta energy: -140.231
Dist. restrs. and SS energy: 4.228 (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: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1862.492661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.492661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.498960 (E_RNA)
where:
Base-Base interactions energy: -1258.244
where: short stacking energy: -501.983
Base-Backbone interact. energy: 1.831
local terms energy: -609.085502
where:
bonds (distance) C4'-P energy: -130.716
bonds (distance) P-C4' energy: -126.023
flat angles C4'-P-C4' energy: -132.886
flat angles P-C4'-P energy: -82.509
tors. eta vs tors. theta energy: -136.952
Dist. restrs. and SS energy: 3.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2907.373969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.373969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.487018 (E_RNA)
where:
Base-Base interactions energy: -1999.906
where: short stacking energy: -833.172
Base-Backbone interact. energy: -3.728
local terms energy: -904.852411
where:
bonds (distance) C4'-P energy: -174.824
bonds (distance) P-C4' energy: -161.653
flat angles C4'-P-C4' energy: -191.848
flat angles P-C4'-P energy: -138.742
tors. eta vs tors. theta energy: -237.786
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: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2841.998148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.998148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.949298 (E_RNA)
where:
Base-Base interactions energy: -1968.105
where: short stacking energy: -823.090
Base-Backbone interact. energy: -1.824
local terms energy: -873.019797
where:
bonds (distance) C4'-P energy: -160.790
bonds (distance) P-C4' energy: -154.888
flat angles C4'-P-C4' energy: -178.339
flat angles P-C4'-P energy: -124.503
tors. eta vs tors. theta energy: -254.500
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2618.891495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.891495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.522450 (E_RNA)
where:
Base-Base interactions energy: -1802.503
where: short stacking energy: -793.384
Base-Backbone interact. energy: -1.902
local terms energy: -816.117108
where:
bonds (distance) C4'-P energy: -133.265
bonds (distance) P-C4' energy: -163.749
flat angles C4'-P-C4' energy: -180.792
flat angles P-C4'-P energy: -103.295
tors. eta vs tors. theta energy: -235.017
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2508.395570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.395570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.422945 (E_RNA)
where:
Base-Base interactions energy: -1699.203
where: short stacking energy: -730.416
Base-Backbone interact. energy: 1.532
local terms energy: -811.751537
where:
bonds (distance) C4'-P energy: -143.068
bonds (distance) P-C4' energy: -157.763
flat angles C4'-P-C4' energy: -175.537
flat angles P-C4'-P energy: -115.891
tors. eta vs tors. theta energy: -219.493
Dist. restrs. and SS energy: 1.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2320.587254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.587254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.854861 (E_RNA)
where:
Base-Base interactions energy: -1572.622
where: short stacking energy: -660.013
Base-Backbone interact. energy: 0.234
local terms energy: -750.466654
where:
bonds (distance) C4'-P energy: -143.590
bonds (distance) P-C4' energy: -150.839
flat angles C4'-P-C4' energy: -163.994
flat angles P-C4'-P energy: -99.344
tors. eta vs tors. theta energy: -192.699
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2262.980998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.980998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.329869 (E_RNA)
where:
Base-Base interactions energy: -1562.515
where: short stacking energy: -679.228
Base-Backbone interact. energy: -1.471
local terms energy: -702.344474
where:
bonds (distance) C4'-P energy: -108.498
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -162.439
flat angles P-C4'-P energy: -110.407
tors. eta vs tors. theta energy: -177.030
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: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2084.561491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.561491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.108404 (E_RNA)
where:
Base-Base interactions energy: -1422.573
where: short stacking energy: -627.663
Base-Backbone interact. energy: 0.368
local terms energy: -663.903211
where:
bonds (distance) C4'-P energy: -134.747
bonds (distance) P-C4' energy: -131.689
flat angles C4'-P-C4' energy: -151.388
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -162.331
Dist. restrs. and SS energy: 1.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2043.057886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.057886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.384131 (E_RNA)
where:
Base-Base interactions energy: -1385.812
where: short stacking energy: -589.523
Base-Backbone interact. energy: 9.704
local terms energy: -670.276997
where:
bonds (distance) C4'-P energy: -147.332
bonds (distance) P-C4' energy: -156.188
flat angles C4'-P-C4' energy: -142.766
flat angles P-C4'-P energy: -83.225
tors. eta vs tors. theta energy: -140.766
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: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1954.965157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.965157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.699029 (E_RNA)
where:
Base-Base interactions energy: -1313.376
where: short stacking energy: -573.193
Base-Backbone interact. energy: 6.295
local terms energy: -651.618260
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -123.866
flat angles C4'-P-C4' energy: -148.030
flat angles P-C4'-P energy: -104.347
tors. eta vs tors. theta energy: -137.926
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1858.118082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.118082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.697182 (E_RNA)
where:
Base-Base interactions energy: -1263.878
where: short stacking energy: -522.648
Base-Backbone interact. energy: 3.402
local terms energy: -602.221063
where:
bonds (distance) C4'-P energy: -128.601
bonds (distance) P-C4' energy: -112.125
flat angles C4'-P-C4' energy: -153.433
flat angles P-C4'-P energy: -81.278
tors. eta vs tors. theta energy: -126.785
Dist. restrs. and SS energy: 4.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2928.115642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.115642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.176366 (E_RNA)
where:
Base-Base interactions energy: -2073.447
where: short stacking energy: -846.093
Base-Backbone interact. energy: -3.406
local terms energy: -852.323551
where:
bonds (distance) C4'-P energy: -145.472
bonds (distance) P-C4' energy: -168.044
flat angles C4'-P-C4' energy: -178.627
flat angles P-C4'-P energy: -116.171
tors. eta vs tors. theta energy: -244.010
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: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2839.977725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.977725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.394023 (E_RNA)
where:
Base-Base interactions energy: -1965.945
where: short stacking energy: -832.941
Base-Backbone interact. energy: 0.311
local terms energy: -875.760303
where:
bonds (distance) C4'-P energy: -155.422
bonds (distance) P-C4' energy: -156.368
flat angles C4'-P-C4' energy: -187.831
flat angles P-C4'-P energy: -123.014
tors. eta vs tors. theta energy: -253.126
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: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2650.587450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.587450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.042017 (E_RNA)
where:
Base-Base interactions energy: -1842.321
where: short stacking energy: -792.022
Base-Backbone interact. energy: -2.909
local terms energy: -807.812651
where:
bonds (distance) C4'-P energy: -152.725
bonds (distance) P-C4' energy: -165.724
flat angles C4'-P-C4' energy: -158.601
flat angles P-C4'-P energy: -105.912
tors. eta vs tors. theta energy: -224.851
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2516.474816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.474816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.399596 (E_RNA)
where:
Base-Base interactions energy: -1716.507
where: short stacking energy: -731.615
Base-Backbone interact. energy: -1.202
local terms energy: -800.690940
where:
bonds (distance) C4'-P energy: -160.680
bonds (distance) P-C4' energy: -152.419
flat angles C4'-P-C4' energy: -174.027
flat angles P-C4'-P energy: -94.648
tors. eta vs tors. theta energy: -218.917
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: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2369.745087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.745087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.781015 (E_RNA)
where:
Base-Base interactions energy: -1600.932
where: short stacking energy: -675.408
Base-Backbone interact. energy: -3.501
local terms energy: -767.348244
where:
bonds (distance) C4'-P energy: -136.731
bonds (distance) P-C4' energy: -161.025
flat angles C4'-P-C4' energy: -153.980
flat angles P-C4'-P energy: -114.209
tors. eta vs tors. theta energy: -201.402
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: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2254.603320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.603320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.617920 (E_RNA)
where:
Base-Base interactions energy: -1524.255
where: short stacking energy: -620.831
Base-Backbone interact. energy: 2.268
local terms energy: -734.630888
where:
bonds (distance) C4'-P energy: -142.430
bonds (distance) P-C4' energy: -138.768
flat angles C4'-P-C4' energy: -158.430
flat angles P-C4'-P energy: -106.516
tors. eta vs tors. theta energy: -188.487
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: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2039.447508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.447508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.237316 (E_RNA)
where:
Base-Base interactions energy: -1370.830
where: short stacking energy: -574.991
Base-Backbone interact. energy: -2.820
local terms energy: -668.588167
where:
bonds (distance) C4'-P energy: -126.055
bonds (distance) P-C4' energy: -147.433
flat angles C4'-P-C4' energy: -149.365
flat angles P-C4'-P energy: -88.228
tors. eta vs tors. theta energy: -157.507
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2063.861105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.861105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.171221 (E_RNA)
where:
Base-Base interactions energy: -1366.324
where: short stacking energy: -583.765
Base-Backbone interact. energy: -1.652
local terms energy: -698.195004
where:
bonds (distance) C4'-P energy: -135.358
bonds (distance) P-C4' energy: -150.413
flat angles C4'-P-C4' energy: -147.055
flat angles P-C4'-P energy: -97.601
tors. eta vs tors. theta energy: -167.769
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: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1943.382269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.382269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.258795 (E_RNA)
where:
Base-Base interactions energy: -1342.839
where: short stacking energy: -571.473
Base-Backbone interact. energy: 2.458
local terms energy: -605.877367
where:
bonds (distance) C4'-P energy: -125.025
bonds (distance) P-C4' energy: -109.376
flat angles C4'-P-C4' energy: -149.592
flat angles P-C4'-P energy: -96.522
tors. eta vs tors. theta energy: -125.362
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: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1883.290839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.290839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.626281 (E_RNA)
where:
Base-Base interactions energy: -1267.254
where: short stacking energy: -535.565
Base-Backbone interact. energy: -0.938
local terms energy: -619.434333
where:
bonds (distance) C4'-P energy: -129.672
bonds (distance) P-C4' energy: -135.996
flat angles C4'-P-C4' energy: -161.522
flat angles P-C4'-P energy: -63.502
tors. eta vs tors. theta energy: -128.742
Dist. restrs. and SS energy: 4.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2912.534163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.534163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.960468 (E_RNA)
where:
Base-Base interactions energy: -2046.671
where: short stacking energy: -849.995
Base-Backbone interact. energy: -4.808
local terms energy: -862.481197
where:
bonds (distance) C4'-P energy: -156.911
bonds (distance) P-C4' energy: -164.560
flat angles C4'-P-C4' energy: -173.268
flat angles P-C4'-P energy: -124.317
tors. eta vs tors. theta energy: -243.425
Dist. restrs. and SS energy: 1.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2824.325838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.325838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.156324 (E_RNA)
where:
Base-Base interactions energy: -1937.961
where: short stacking energy: -826.841
Base-Backbone interact. energy: -5.353
local terms energy: -881.841384
where:
bonds (distance) C4'-P energy: -179.444
bonds (distance) P-C4' energy: -156.009
flat angles C4'-P-C4' energy: -180.973
flat angles P-C4'-P energy: -117.353
tors. eta vs tors. theta energy: -248.063
Dist. restrs. and SS energy: 0.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2625.938724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.938724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.541539 (E_RNA)
where:
Base-Base interactions energy: -1794.015
where: short stacking energy: -765.317
Base-Backbone interact. energy: 2.470
local terms energy: -835.996305
where:
bonds (distance) C4'-P energy: -145.002
bonds (distance) P-C4' energy: -160.222
flat angles C4'-P-C4' energy: -171.702
flat angles P-C4'-P energy: -123.647
tors. eta vs tors. theta energy: -235.423
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: 7
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2558.197547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.197547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.444173 (E_RNA)
where:
Base-Base interactions energy: -1760.920
where: short stacking energy: -774.789
Base-Backbone interact. energy: -3.925
local terms energy: -794.599784
where:
bonds (distance) C4'-P energy: -150.668
bonds (distance) P-C4' energy: -133.295
flat angles C4'-P-C4' energy: -173.856
flat angles P-C4'-P energy: -113.039
tors. eta vs tors. theta energy: -223.742
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2348.609637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.609637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.644539 (E_RNA)
where:
Base-Base interactions energy: -1609.957
where: short stacking energy: -710.241
Base-Backbone interact. energy: -2.921
local terms energy: -737.766821
where:
bonds (distance) C4'-P energy: -129.970
bonds (distance) P-C4' energy: -148.340
flat angles C4'-P-C4' energy: -163.240
flat angles P-C4'-P energy: -99.590
tors. eta vs tors. theta energy: -196.626
Dist. restrs. and SS energy: 2.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2292.158832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.158832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.050984 (E_RNA)
where:
Base-Base interactions energy: -1575.509
where: short stacking energy: -655.033
Base-Backbone interact. energy: 2.266
local terms energy: -720.807652
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -138.030
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -105.941
tors. eta vs tors. theta energy: -187.424
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: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -2093.677875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.677875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.133839 (E_RNA)
where:
Base-Base interactions energy: -1419.415
where: short stacking energy: -619.258
Base-Backbone interact. energy: 7.786
local terms energy: -685.504043
where:
bonds (distance) C4'-P energy: -153.549
bonds (distance) P-C4' energy: -121.314
flat angles C4'-P-C4' energy: -158.899
flat angles P-C4'-P energy: -89.520
tors. eta vs tors. theta energy: -162.221
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1990.001855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.001855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.958152 (E_RNA)
where:
Base-Base interactions energy: -1339.431
where: short stacking energy: -573.921
Base-Backbone interact. energy: -2.871
local terms energy: -650.656263
where:
bonds (distance) C4'-P energy: -133.692
bonds (distance) P-C4' energy: -131.388
flat angles C4'-P-C4' energy: -133.778
flat angles P-C4'-P energy: -110.543
tors. eta vs tors. theta energy: -141.255
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: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1964.351831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.351831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.949859 (E_RNA)
where:
Base-Base interactions energy: -1322.738
where: short stacking energy: -559.474
Base-Backbone interact. energy: 1.169
local terms energy: -646.381067
where:
bonds (distance) C4'-P energy: -136.977
bonds (distance) P-C4' energy: -134.004
flat angles C4'-P-C4' energy: -154.451
flat angles P-C4'-P energy: -83.373
tors. eta vs tors. theta energy: -137.577
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -1859.781775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.781775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.510693 (E_RNA)
where:
Base-Base interactions energy: -1276.359
where: short stacking energy: -544.671
Base-Backbone interact. energy: -0.646
local terms energy: -585.506540
where:
bonds (distance) C4'-P energy: -128.334
bonds (distance) P-C4' energy: -109.191
flat angles C4'-P-C4' energy: -135.130
flat angles P-C4'-P energy: -78.181
tors. eta vs tors. theta energy: -134.669
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2930.027237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.027237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.664502 (E_RNA)
where:
Base-Base interactions energy: -2060.758
where: short stacking energy: -840.073
Base-Backbone interact. energy: -4.841
local terms energy: -866.065073
where:
bonds (distance) C4'-P energy: -167.777
bonds (distance) P-C4' energy: -169.486
flat angles C4'-P-C4' energy: -177.812
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -233.328
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2739.371717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.371717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.557328 (E_RNA)
where:
Base-Base interactions energy: -1926.563
where: short stacking energy: -837.832
Base-Backbone interact. energy: 4.226
local terms energy: -818.220786
where:
bonds (distance) C4'-P energy: -139.135
bonds (distance) P-C4' energy: -140.874
flat angles C4'-P-C4' energy: -177.083
flat angles P-C4'-P energy: -122.714
tors. eta vs tors. theta energy: -238.413
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2607.663819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.663819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.952790 (E_RNA)
where:
Base-Base interactions energy: -1822.988
where: short stacking energy: -773.841
Base-Backbone interact. energy: 1.675
local terms energy: -787.639354
where:
bonds (distance) C4'-P energy: -153.904
bonds (distance) P-C4' energy: -145.498
flat angles C4'-P-C4' energy: -160.733
flat angles P-C4'-P energy: -109.276
tors. eta vs tors. theta energy: -218.227
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2575.583770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.583770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.912663 (E_RNA)
where:
Base-Base interactions energy: -1751.359
where: short stacking energy: -749.556
Base-Backbone interact. energy: -2.687
local terms energy: -822.866525
where:
bonds (distance) C4'-P energy: -150.650
bonds (distance) P-C4' energy: -150.462
flat angles C4'-P-C4' energy: -182.389
flat angles P-C4'-P energy: -117.226
tors. eta vs tors. theta energy: -222.140
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: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2358.941226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.941226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.954900 (E_RNA)
where:
Base-Base interactions energy: -1609.420
where: short stacking energy: -713.416
Base-Backbone interact. energy: -1.874
local terms energy: -749.660972
where:
bonds (distance) C4'-P energy: -131.190
bonds (distance) P-C4' energy: -145.856
flat angles C4'-P-C4' energy: -165.055
flat angles P-C4'-P energy: -100.623
tors. eta vs tors. theta energy: -206.938
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2230.824334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.824334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.890405 (E_RNA)
where:
Base-Base interactions energy: -1546.330
where: short stacking energy: -624.366
Base-Backbone interact. energy: 1.309
local terms energy: -686.869736
where:
bonds (distance) C4'-P energy: -149.366
bonds (distance) P-C4' energy: -116.202
flat angles C4'-P-C4' energy: -147.447
flat angles P-C4'-P energy: -91.891
tors. eta vs tors. theta energy: -181.964
Dist. restrs. and SS energy: 1.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2061.749455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.749455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.024884 (E_RNA)
where:
Base-Base interactions energy: -1398.716
where: short stacking energy: -582.137
Base-Backbone interact. energy: -1.457
local terms energy: -663.851639
where:
bonds (distance) C4'-P energy: -136.477
bonds (distance) P-C4' energy: -141.392
flat angles C4'-P-C4' energy: -143.465
flat angles P-C4'-P energy: -98.849
tors. eta vs tors. theta energy: -143.668
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: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2012.067255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.067255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.218079 (E_RNA)
where:
Base-Base interactions energy: -1339.021
where: short stacking energy: -561.285
Base-Backbone interact. energy: -0.842
local terms energy: -675.354548
where:
bonds (distance) C4'-P energy: -122.884
bonds (distance) P-C4' energy: -144.791
flat angles C4'-P-C4' energy: -157.605
flat angles P-C4'-P energy: -97.943
tors. eta vs tors. theta energy: -152.131
Dist. restrs. and SS energy: 3.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1928.270853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.270853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.267108 (E_RNA)
where:
Base-Base interactions energy: -1315.213
where: short stacking energy: -559.337
Base-Backbone interact. energy: 1.518
local terms energy: -617.572350
where:
bonds (distance) C4'-P energy: -122.923
bonds (distance) P-C4' energy: -131.614
flat angles C4'-P-C4' energy: -142.597
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -139.817
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: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -1812.147948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.147948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.802043 (E_RNA)
where:
Base-Base interactions energy: -1232.967
where: short stacking energy: -522.347
Base-Backbone interact. energy: -1.879
local terms energy: -580.956100
where:
bonds (distance) C4'-P energy: -113.632
bonds (distance) P-C4' energy: -126.388
flat angles C4'-P-C4' energy: -117.810
flat angles P-C4'-P energy: -86.602
tors. eta vs tors. theta energy: -136.525
Dist. restrs. and SS energy: 3.654 (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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2937.088981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.088981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.517433 (E_RNA)
where:
Base-Base interactions energy: -2039.337
where: short stacking energy: -823.193
Base-Backbone interact. energy: -5.357
local terms energy: -893.823274
where:
bonds (distance) C4'-P energy: -169.610
bonds (distance) P-C4' energy: -166.779
flat angles C4'-P-C4' energy: -183.338
flat angles P-C4'-P energy: -129.011
tors. eta vs tors. theta energy: -245.086
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2795.097516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.097516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.419054 (E_RNA)
where:
Base-Base interactions energy: -1928.012
where: short stacking energy: -843.255
Base-Backbone interact. energy: -1.630
local terms energy: -866.776728
where:
bonds (distance) C4'-P energy: -157.703
bonds (distance) P-C4' energy: -156.197
flat angles C4'-P-C4' energy: -171.152
flat angles P-C4'-P energy: -129.990
tors. eta vs tors. theta energy: -251.735
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2686.816611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.816611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.671927 (E_RNA)
where:
Base-Base interactions energy: -1852.623
where: short stacking energy: -788.849
Base-Backbone interact. energy: -2.953
local terms energy: -833.096533
where:
bonds (distance) C4'-P energy: -144.645
bonds (distance) P-C4' energy: -166.202
flat angles C4'-P-C4' energy: -175.755
flat angles P-C4'-P energy: -112.449
tors. eta vs tors. theta energy: -234.047
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: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2530.069676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.077740 (E_RNA)
where:
Base-Base interactions energy: -1738.931
where: short stacking energy: -719.751
Base-Backbone interact. energy: -0.188
local terms energy: -792.959005
where:
bonds (distance) C4'-P energy: -155.765
bonds (distance) P-C4' energy: -159.023
flat angles C4'-P-C4' energy: -169.631
flat angles P-C4'-P energy: -107.217
tors. eta vs tors. theta energy: -201.322
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: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2384.531200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.047963 (E_RNA)
where:
Base-Base interactions energy: -1610.380
where: short stacking energy: -681.528
Base-Backbone interact. energy: 4.591
local terms energy: -780.258131
where:
bonds (distance) C4'-P energy: -135.865
bonds (distance) P-C4' energy: -159.137
flat angles C4'-P-C4' energy: -171.724
flat angles P-C4'-P energy: -119.342
tors. eta vs tors. theta energy: -194.190
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2269.867779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.867779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.617080 (E_RNA)
where:
Base-Base interactions energy: -1545.239
where: short stacking energy: -666.251
Base-Backbone interact. energy: -0.454
local terms energy: -725.924178
where:
bonds (distance) C4'-P energy: -142.959
bonds (distance) P-C4' energy: -123.673
flat angles C4'-P-C4' energy: -153.565
flat angles P-C4'-P energy: -112.288
tors. eta vs tors. theta energy: -193.439
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: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2129.997931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.997931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.239144 (E_RNA)
where:
Base-Base interactions energy: -1424.711
where: short stacking energy: -613.245
Base-Backbone interact. energy: 9.698
local terms energy: -717.226563
where:
bonds (distance) C4'-P energy: -145.098
bonds (distance) P-C4' energy: -166.866
flat angles C4'-P-C4' energy: -138.111
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -159.885
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: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2026.490529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.490529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.513447 (E_RNA)
where:
Base-Base interactions energy: -1329.774
where: short stacking energy: -578.290
Base-Backbone interact. energy: -1.485
local terms energy: -698.254785
where:
bonds (distance) C4'-P energy: -148.921
bonds (distance) P-C4' energy: -143.305
flat angles C4'-P-C4' energy: -145.676
flat angles P-C4'-P energy: -100.788
tors. eta vs tors. theta energy: -159.566
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: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1951.740638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.740638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.204759 (E_RNA)
where:
Base-Base interactions energy: -1354.683
where: short stacking energy: -580.482
Base-Backbone interact. energy: -3.343
local terms energy: -598.179560
where:
bonds (distance) C4'-P energy: -145.857
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -132.850
flat angles P-C4'-P energy: -79.430
tors. eta vs tors. theta energy: -138.865
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: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1853.716143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.716143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.407986 (E_RNA)
where:
Base-Base interactions energy: -1296.614
where: short stacking energy: -505.277
Base-Backbone interact. energy: -3.699
local terms energy: -556.095670
where:
bonds (distance) C4'-P energy: -116.303
bonds (distance) P-C4' energy: -108.651
flat angles C4'-P-C4' energy: -127.969
flat angles P-C4'-P energy: -95.724
tors. eta vs tors. theta energy: -107.448
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2931.593169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.593169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.700150 (E_RNA)
where:
Base-Base interactions energy: -2063.539
where: short stacking energy: -842.109
Base-Backbone interact. energy: -2.850
local terms energy: -866.311884
where:
bonds (distance) C4'-P energy: -147.042
bonds (distance) P-C4' energy: -160.107
flat angles C4'-P-C4' energy: -190.446
flat angles P-C4'-P energy: -123.335
tors. eta vs tors. theta energy: -245.382
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2780.093124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.093124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.112539 (E_RNA)
where:
Base-Base interactions energy: -1920.417
where: short stacking energy: -829.053
Base-Backbone interact. energy: -4.641
local terms energy: -856.054112
where:
bonds (distance) C4'-P energy: -149.056
bonds (distance) P-C4' energy: -157.908
flat angles C4'-P-C4' energy: -180.741
flat angles P-C4'-P energy: -116.690
tors. eta vs tors. theta energy: -251.659
Dist. restrs. and SS energy: 1.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2621.336752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.336752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.820498 (E_RNA)
where:
Base-Base interactions energy: -1808.676
where: short stacking energy: -792.265
Base-Backbone interact. energy: -0.650
local terms energy: -814.494407
where:
bonds (distance) C4'-P energy: -152.465
bonds (distance) P-C4' energy: -152.757
flat angles C4'-P-C4' energy: -166.040
flat angles P-C4'-P energy: -117.155
tors. eta vs tors. theta energy: -226.078
Dist. restrs. and SS energy: 2.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2542.818771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.818771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.666668 (E_RNA)
where:
Base-Base interactions energy: -1740.870
where: short stacking energy: -726.309
Base-Backbone interact. energy: 4.147
local terms energy: -807.943294
where:
bonds (distance) C4'-P energy: -141.667
bonds (distance) P-C4' energy: -159.660
flat angles C4'-P-C4' energy: -178.299
flat angles P-C4'-P energy: -119.020
tors. eta vs tors. theta energy: -209.298
Dist. restrs. and SS energy: 1.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2399.364938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.672257 (E_RNA)
where:
Base-Base interactions energy: -1615.999
where: short stacking energy: -706.786
Base-Backbone interact. energy: -1.009
local terms energy: -784.663964
where:
bonds (distance) C4'-P energy: -143.766
bonds (distance) P-C4' energy: -140.360
flat angles C4'-P-C4' energy: -174.925
flat angles P-C4'-P energy: -111.718
tors. eta vs tors. theta energy: -213.895
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: 297
Temperature: 1.150000
Total energy: -2255.084107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.084107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.047479 (E_RNA)
where:
Base-Base interactions energy: -1551.648
where: short stacking energy: -670.042
Base-Backbone interact. energy: -1.991
local terms energy: -703.409094
where:
bonds (distance) C4'-P energy: -141.377
bonds (distance) P-C4' energy: -136.601
flat angles C4'-P-C4' energy: -157.813
flat angles P-C4'-P energy: -80.825
tors. eta vs tors. theta energy: -186.793
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2102.029222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.029222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.265246 (E_RNA)
where:
Base-Base interactions energy: -1417.565
where: short stacking energy: -603.088
Base-Backbone interact. energy: -0.999
local terms energy: -685.700523
where:
bonds (distance) C4'-P energy: -132.796
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -140.253
flat angles P-C4'-P energy: -105.799
tors. eta vs tors. theta energy: -161.349
Dist. restrs. and SS energy: 2.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2081.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.860952 (E_RNA)
where:
Base-Base interactions energy: -1425.969
where: short stacking energy: -594.441
Base-Backbone interact. energy: 0.252
local terms energy: -657.143482
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -148.208
flat angles C4'-P-C4' energy: -164.667
flat angles P-C4'-P energy: -84.656
tors. eta vs tors. theta energy: -153.031
Dist. restrs. and SS energy: 1.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1956.020221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.020221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.291920 (E_RNA)
where:
Base-Base interactions energy: -1319.192
where: short stacking energy: -546.569
Base-Backbone interact. energy: -1.419
local terms energy: -637.680981
where:
bonds (distance) C4'-P energy: -135.084
bonds (distance) P-C4' energy: -142.765
flat angles C4'-P-C4' energy: -140.767
flat angles P-C4'-P energy: -90.887
tors. eta vs tors. theta energy: -128.178
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1838.647868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.647868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.627146 (E_RNA)
where:
Base-Base interactions energy: -1271.730
where: short stacking energy: -520.605
Base-Backbone interact. energy: 2.772
local terms energy: -572.669564
where:
bonds (distance) C4'-P energy: -112.797
bonds (distance) P-C4' energy: -127.316
flat angles C4'-P-C4' energy: -132.394
flat angles P-C4'-P energy: -73.577
tors. eta vs tors. theta energy: -126.585
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: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2937.339194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.339194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.233539 (E_RNA)
where:
Base-Base interactions energy: -2065.443
where: short stacking energy: -837.059
Base-Backbone interact. energy: -1.685
local terms energy: -872.104994
where:
bonds (distance) C4'-P energy: -155.704
bonds (distance) P-C4' energy: -167.951
flat angles C4'-P-C4' energy: -192.520
flat angles P-C4'-P energy: -123.534
tors. eta vs tors. theta energy: -232.396
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2772.133359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.133359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.546332 (E_RNA)
where:
Base-Base interactions energy: -1910.141
where: short stacking energy: -828.380
Base-Backbone interact. energy: -0.758
local terms energy: -862.646826
where:
bonds (distance) C4'-P energy: -143.580
bonds (distance) P-C4' energy: -151.411
flat angles C4'-P-C4' energy: -194.190
flat angles P-C4'-P energy: -120.143
tors. eta vs tors. theta energy: -253.323
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2598.786034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.786034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.754422 (E_RNA)
where:
Base-Base interactions energy: -1808.813
where: short stacking energy: -766.339
Base-Backbone interact. energy: -3.884
local terms energy: -788.057630
where:
bonds (distance) C4'-P energy: -153.350
bonds (distance) P-C4' energy: -137.739
flat angles C4'-P-C4' energy: -180.839
flat angles P-C4'-P energy: -105.280
tors. eta vs tors. theta energy: -210.851
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: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2600.202653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.202653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.412231 (E_RNA)
where:
Base-Base interactions energy: -1801.272
where: short stacking energy: -749.967
Base-Backbone interact. energy: -3.589
local terms energy: -797.551883
where:
bonds (distance) C4'-P energy: -137.506
bonds (distance) P-C4' energy: -161.207
flat angles C4'-P-C4' energy: -168.425
flat angles P-C4'-P energy: -121.709
tors. eta vs tors. theta energy: -208.704
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2373.612853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.612853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.197858 (E_RNA)
where:
Base-Base interactions energy: -1588.614
where: short stacking energy: -698.614
Base-Backbone interact. energy: -2.379
local terms energy: -784.204832
where:
bonds (distance) C4'-P energy: -139.756
bonds (distance) P-C4' energy: -153.612
flat angles C4'-P-C4' energy: -164.393
flat angles P-C4'-P energy: -112.377
tors. eta vs tors. theta energy: -214.067
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: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2221.330094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.330094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.661683 (E_RNA)
where:
Base-Base interactions energy: -1509.685
where: short stacking energy: -658.147
Base-Backbone interact. energy: -1.308
local terms energy: -712.668776
where:
bonds (distance) C4'-P energy: -140.991
bonds (distance) P-C4' energy: -144.447
flat angles C4'-P-C4' energy: -162.762
flat angles P-C4'-P energy: -80.679
tors. eta vs tors. theta energy: -183.790
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: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2136.625146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.625146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.261063 (E_RNA)
where:
Base-Base interactions energy: -1444.001
where: short stacking energy: -655.430
Base-Backbone interact. energy: 4.164
local terms energy: -700.423656
where:
bonds (distance) C4'-P energy: -140.435
bonds (distance) P-C4' energy: -144.349
flat angles C4'-P-C4' energy: -162.673
flat angles P-C4'-P energy: -89.415
tors. eta vs tors. theta energy: -163.551
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: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2072.503191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.503191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.280317 (E_RNA)
where:
Base-Base interactions energy: -1388.969
where: short stacking energy: -587.943
Base-Backbone interact. energy: 1.217
local terms energy: -686.528049
where:
bonds (distance) C4'-P energy: -134.931
bonds (distance) P-C4' energy: -135.073
flat angles C4'-P-C4' energy: -166.270
flat angles P-C4'-P energy: -88.453
tors. eta vs tors. theta energy: -161.801
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1928.119611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.119611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.153714 (E_RNA)
where:
Base-Base interactions energy: -1303.627
where: short stacking energy: -539.704
Base-Backbone interact. energy: 2.017
local terms energy: -628.544406
where:
bonds (distance) C4'-P energy: -124.020
bonds (distance) P-C4' energy: -127.298
flat angles C4'-P-C4' energy: -145.889
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -145.540
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: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -1859.861782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.861782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.219873 (E_RNA)
where:
Base-Base interactions energy: -1265.937
where: short stacking energy: -534.874
Base-Backbone interact. energy: 6.781
local terms energy: -605.063623
where:
bonds (distance) C4'-P energy: -134.505
bonds (distance) P-C4' energy: -136.608
flat angles C4'-P-C4' energy: -130.870
flat angles P-C4'-P energy: -69.420
tors. eta vs tors. theta energy: -133.659
Dist. restrs. and SS energy: 4.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2925.446733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.446733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.876931 (E_RNA)
where:
Base-Base interactions energy: -2067.086
where: short stacking energy: -843.779
Base-Backbone interact. energy: -3.872
local terms energy: -855.919175
where:
bonds (distance) C4'-P energy: -159.969
bonds (distance) P-C4' energy: -160.275
flat angles C4'-P-C4' energy: -174.503
flat angles P-C4'-P energy: -118.923
tors. eta vs tors. theta energy: -242.249
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: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2784.412079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.412079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.317005 (E_RNA)
where:
Base-Base interactions energy: -1891.156
where: short stacking energy: -834.082
Base-Backbone interact. energy: 0.191
local terms energy: -895.351589
where:
bonds (distance) C4'-P energy: -153.213
bonds (distance) P-C4' energy: -150.148
flat angles C4'-P-C4' energy: -195.373
flat angles P-C4'-P energy: -141.311
tors. eta vs tors. theta energy: -255.307
Dist. restrs. and SS energy: 1.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2568.120513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.120513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.305942 (E_RNA)
where:
Base-Base interactions energy: -1794.375
where: short stacking energy: -720.238
Base-Backbone interact. energy: 1.482
local terms energy: -776.412805
where:
bonds (distance) C4'-P energy: -140.684
bonds (distance) P-C4' energy: -144.365
flat angles C4'-P-C4' energy: -179.772
flat angles P-C4'-P energy: -101.778
tors. eta vs tors. theta energy: -209.814
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: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2587.213766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.213766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.165299 (E_RNA)
where:
Base-Base interactions energy: -1769.438
where: short stacking energy: -766.856
Base-Backbone interact. energy: 0.126
local terms energy: -819.853572
where:
bonds (distance) C4'-P energy: -138.050
bonds (distance) P-C4' energy: -156.132
flat angles C4'-P-C4' energy: -168.418
flat angles P-C4'-P energy: -131.349
tors. eta vs tors. theta energy: -225.905
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: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2372.520317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.520317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.601809 (E_RNA)
where:
Base-Base interactions energy: -1615.258
where: short stacking energy: -726.683
Base-Backbone interact. energy: -0.748
local terms energy: -757.595728
where:
bonds (distance) C4'-P energy: -138.568
bonds (distance) P-C4' energy: -140.310
flat angles C4'-P-C4' energy: -160.042
flat angles P-C4'-P energy: -106.079
tors. eta vs tors. theta energy: -212.597
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2183.332272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.332272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.939492 (E_RNA)
where:
Base-Base interactions energy: -1475.078
where: short stacking energy: -630.370
Base-Backbone interact. energy: 0.106
local terms energy: -709.967019
where:
bonds (distance) C4'-P energy: -136.049
bonds (distance) P-C4' energy: -140.158
flat angles C4'-P-C4' energy: -162.232
flat angles P-C4'-P energy: -99.709
tors. eta vs tors. theta energy: -171.819
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: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2166.567984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.567984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.481990 (E_RNA)
where:
Base-Base interactions energy: -1508.569
where: short stacking energy: -631.835
Base-Backbone interact. energy: 2.389
local terms energy: -662.302503
where:
bonds (distance) C4'-P energy: -133.045
bonds (distance) P-C4' energy: -126.133
flat angles C4'-P-C4' energy: -150.529
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -156.000
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: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2001.017370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.017370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.843418 (E_RNA)
where:
Base-Base interactions energy: -1367.018
where: short stacking energy: -596.157
Base-Backbone interact. energy: 0.809
local terms energy: -637.634642
where:
bonds (distance) C4'-P energy: -122.874
bonds (distance) P-C4' energy: -125.900
flat angles C4'-P-C4' energy: -159.487
flat angles P-C4'-P energy: -77.025
tors. eta vs tors. theta energy: -152.348
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1966.579033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.579033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.375511 (E_RNA)
where:
Base-Base interactions energy: -1341.171
where: short stacking energy: -560.861
Base-Backbone interact. energy: 0.967
local terms energy: -629.171397
where:
bonds (distance) C4'-P energy: -115.990
bonds (distance) P-C4' energy: -132.998
flat angles C4'-P-C4' energy: -129.159
flat angles P-C4'-P energy: -101.745
tors. eta vs tors. theta energy: -149.279
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -1838.723652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.723652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.946753 (E_RNA)
where:
Base-Base interactions energy: -1242.581
where: short stacking energy: -507.027
Base-Backbone interact. energy: 0.043
local terms energy: -604.408823
where:
bonds (distance) C4'-P energy: -130.691
bonds (distance) P-C4' energy: -143.605
flat angles C4'-P-C4' energy: -122.754
flat angles P-C4'-P energy: -97.420
tors. eta vs tors. theta energy: -109.939
Dist. restrs. and SS energy: 8.223 (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: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2901.633695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.633695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.054922 (E_RNA)
where:
Base-Base interactions energy: -2033.881
where: short stacking energy: -835.736
Base-Backbone interact. energy: -0.347
local terms energy: -868.826242
where:
bonds (distance) C4'-P energy: -161.045
bonds (distance) P-C4' energy: -156.511
flat angles C4'-P-C4' energy: -178.380
flat angles P-C4'-P energy: -134.305
tors. eta vs tors. theta energy: -238.585
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: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2783.015939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.015939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.661108 (E_RNA)
where:
Base-Base interactions energy: -1929.288
where: short stacking energy: -833.167
Base-Backbone interact. energy: -4.225
local terms energy: -851.148037
where:
bonds (distance) C4'-P energy: -158.666
bonds (distance) P-C4' energy: -155.351
flat angles C4'-P-C4' energy: -179.011
flat angles P-C4'-P energy: -110.363
tors. eta vs tors. theta energy: -247.756
Dist. restrs. and SS energy: 1.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2637.644746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.644746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.031989 (E_RNA)
where:
Base-Base interactions energy: -1847.721
where: short stacking energy: -783.148
Base-Backbone interact. energy: -0.236
local terms energy: -791.075573
where:
bonds (distance) C4'-P energy: -149.231
bonds (distance) P-C4' energy: -133.880
flat angles C4'-P-C4' energy: -158.319
flat angles P-C4'-P energy: -115.607
tors. eta vs tors. theta energy: -234.038
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2572.828359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.828359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.499695 (E_RNA)
where:
Base-Base interactions energy: -1780.252
where: short stacking energy: -770.266
Base-Backbone interact. energy: -3.216
local terms energy: -791.032227
where:
bonds (distance) C4'-P energy: -142.194
bonds (distance) P-C4' energy: -149.099
flat angles C4'-P-C4' energy: -184.038
flat angles P-C4'-P energy: -107.860
tors. eta vs tors. theta energy: -207.842
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2330.202979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.202979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.666590 (E_RNA)
where:
Base-Base interactions energy: -1562.011
where: short stacking energy: -657.786
Base-Backbone interact. energy: -1.943
local terms energy: -768.712679
where:
bonds (distance) C4'-P energy: -160.296
bonds (distance) P-C4' energy: -154.981
flat angles C4'-P-C4' energy: -154.477
flat angles P-C4'-P energy: -109.703
tors. eta vs tors. theta energy: -189.256
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2196.340061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.340061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.993327 (E_RNA)
where:
Base-Base interactions energy: -1477.407
where: short stacking energy: -631.090
Base-Backbone interact. energy: -1.718
local terms energy: -720.867845
where:
bonds (distance) C4'-P energy: -142.159
bonds (distance) P-C4' energy: -142.519
flat angles C4'-P-C4' energy: -162.195
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -177.371
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2173.484748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.484748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.507322 (E_RNA)
where:
Base-Base interactions energy: -1490.642
where: short stacking energy: -635.784
Base-Backbone interact. energy: 4.837
local terms energy: -688.703019
where:
bonds (distance) C4'-P energy: -107.452
bonds (distance) P-C4' energy: -133.865
flat angles C4'-P-C4' energy: -157.038
flat angles P-C4'-P energy: -113.198
tors. eta vs tors. theta energy: -177.150
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: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2051.747663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.747663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.156226 (E_RNA)
where:
Base-Base interactions energy: -1405.044
where: short stacking energy: -620.600
Base-Backbone interact. energy: 3.400
local terms energy: -652.511345
where:
bonds (distance) C4'-P energy: -117.726
bonds (distance) P-C4' energy: -131.631
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -92.055
tors. eta vs tors. theta energy: -153.089
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: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -2028.673785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.673785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.017546 (E_RNA)
where:
Base-Base interactions energy: -1405.483
where: short stacking energy: -586.425
Base-Backbone interact. energy: 1.284
local terms energy: -626.818365
where:
bonds (distance) C4'-P energy: -106.195
bonds (distance) P-C4' energy: -143.912
flat angles C4'-P-C4' energy: -137.304
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -156.913
Dist. restrs. and SS energy: 2.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1922.528368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.528368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.660639 (E_RNA)
where:
Base-Base interactions energy: -1302.850
where: short stacking energy: -550.693
Base-Backbone interact. energy: 3.644
local terms energy: -627.454300
where:
bonds (distance) C4'-P energy: -132.898
bonds (distance) P-C4' energy: -122.687
flat angles C4'-P-C4' energy: -132.050
flat angles P-C4'-P energy: -94.160
tors. eta vs tors. theta energy: -145.660
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: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2895.205474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.205474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.020355 (E_RNA)
where:
Base-Base interactions energy: -2019.609
where: short stacking energy: -822.475
Base-Backbone interact. energy: -3.563
local terms energy: -872.849335
where:
bonds (distance) C4'-P energy: -163.035
bonds (distance) P-C4' energy: -162.171
flat angles C4'-P-C4' energy: -188.696
flat angles P-C4'-P energy: -126.096
tors. eta vs tors. theta energy: -232.851
Dist. restrs. and SS energy: 0.815 (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: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2787.608543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.608543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.288835 (E_RNA)
where:
Base-Base interactions energy: -1932.178
where: short stacking energy: -829.127
Base-Backbone interact. energy: -0.541
local terms energy: -855.569622
where:
bonds (distance) C4'-P energy: -143.575
bonds (distance) P-C4' energy: -152.809
flat angles C4'-P-C4' energy: -199.759
flat angles P-C4'-P energy: -113.433
tors. eta vs tors. theta energy: -245.993
Dist. restrs. and SS energy: 0.680 (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: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2598.878831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.878831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.555415 (E_RNA)
where:
Base-Base interactions energy: -1795.466
where: short stacking energy: -768.044
Base-Backbone interact. energy: 0.211
local terms energy: -806.300940
where:
bonds (distance) C4'-P energy: -147.772
bonds (distance) P-C4' energy: -141.445
flat angles C4'-P-C4' energy: -177.970
flat angles P-C4'-P energy: -116.329
tors. eta vs tors. theta energy: -222.784
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2606.937748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.937748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.208721 (E_RNA)
where:
Base-Base interactions energy: -1789.205
where: short stacking energy: -738.824
Base-Backbone interact. energy: -0.737
local terms energy: -819.266685
where:
bonds (distance) C4'-P energy: -147.862
bonds (distance) P-C4' energy: -157.873
flat angles C4'-P-C4' energy: -168.150
flat angles P-C4'-P energy: -122.943
tors. eta vs tors. theta energy: -222.439
Dist. restrs. and SS energy: 2.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2323.725960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.725960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.104487 (E_RNA)
where:
Base-Base interactions energy: -1575.233
where: short stacking energy: -708.506
Base-Backbone interact. energy: 2.338
local terms energy: -753.209997
where:
bonds (distance) C4'-P energy: -141.807
bonds (distance) P-C4' energy: -143.079
flat angles C4'-P-C4' energy: -168.360
flat angles P-C4'-P energy: -93.236
tors. eta vs tors. theta energy: -206.727
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: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2195.416705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.416705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.248790 (E_RNA)
where:
Base-Base interactions energy: -1464.226
where: short stacking energy: -637.607
Base-Backbone interact. energy: 1.941
local terms energy: -734.964049
where:
bonds (distance) C4'-P energy: -148.419
bonds (distance) P-C4' energy: -138.766
flat angles C4'-P-C4' energy: -163.646
flat angles P-C4'-P energy: -111.713
tors. eta vs tors. theta energy: -172.421
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: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2171.636135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.636135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.663539 (E_RNA)
where:
Base-Base interactions energy: -1457.188
where: short stacking energy: -608.972
Base-Backbone interact. energy: -2.610
local terms energy: -714.865833
where:
bonds (distance) C4'-P energy: -143.756
bonds (distance) P-C4' energy: -156.976
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -106.266
tors. eta vs tors. theta energy: -151.749
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: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2052.523670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.523670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.368538 (E_RNA)
where:
Base-Base interactions energy: -1382.016
where: short stacking energy: -610.168
Base-Backbone interact. energy: 1.236
local terms energy: -673.589045
where:
bonds (distance) C4'-P energy: -126.577
bonds (distance) P-C4' energy: -124.914
flat angles C4'-P-C4' energy: -165.837
flat angles P-C4'-P energy: -103.204
tors. eta vs tors. theta energy: -153.056
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: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -2068.135353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.135353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.870744 (E_RNA)
where:
Base-Base interactions energy: -1425.557
where: short stacking energy: -610.620
Base-Backbone interact. energy: -0.110
local terms energy: -645.203823
where:
bonds (distance) C4'-P energy: -134.068
bonds (distance) P-C4' energy: -123.947
flat angles C4'-P-C4' energy: -148.138
flat angles P-C4'-P energy: -75.129
tors. eta vs tors. theta energy: -163.922
Dist. restrs. and SS energy: 2.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -1853.723010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.723010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.222721 (E_RNA)
where:
Base-Base interactions energy: -1270.699
where: short stacking energy: -524.237
Base-Backbone interact. energy: -2.494
local terms energy: -585.029759
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -137.870
flat angles C4'-P-C4' energy: -116.131
flat angles P-C4'-P energy: -94.455
tors. eta vs tors. theta energy: -122.797
Dist. restrs. and SS energy: 4.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2925.170015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.170015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.244216 (E_RNA)
where:
Base-Base interactions energy: -2041.222
where: short stacking energy: -843.528
Base-Backbone interact. energy: -4.374
local terms energy: -880.647864
where:
bonds (distance) C4'-P energy: -152.643
bonds (distance) P-C4' energy: -167.791
flat angles C4'-P-C4' energy: -186.253
flat angles P-C4'-P energy: -133.018
tors. eta vs tors. theta energy: -240.942
Dist. restrs. and SS energy: 1.074 (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: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2796.589894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.589894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.516998 (E_RNA)
where:
Base-Base interactions energy: -1930.809
where: short stacking energy: -802.387
Base-Backbone interact. energy: -3.568
local terms energy: -863.140506
where:
bonds (distance) C4'-P energy: -161.397
bonds (distance) P-C4' energy: -158.495
flat angles C4'-P-C4' energy: -170.469
flat angles P-C4'-P energy: -126.385
tors. eta vs tors. theta energy: -246.394
Dist. restrs. and SS energy: 0.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2573.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.636161 (E_RNA)
where:
Base-Base interactions energy: -1766.598
where: short stacking energy: -712.896
Base-Backbone interact. energy: -3.672
local terms energy: -805.365216
where:
bonds (distance) C4'-P energy: -158.913
bonds (distance) P-C4' energy: -137.463
flat angles C4'-P-C4' energy: -175.324
flat angles P-C4'-P energy: -118.920
tors. eta vs tors. theta energy: -214.745
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2582.726168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.726168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.291487 (E_RNA)
where:
Base-Base interactions energy: -1778.127
where: short stacking energy: -747.195
Base-Backbone interact. energy: -3.921
local terms energy: -802.243181
where:
bonds (distance) C4'-P energy: -143.570
bonds (distance) P-C4' energy: -171.528
flat angles C4'-P-C4' energy: -176.629
flat angles P-C4'-P energy: -97.122
tors. eta vs tors. theta energy: -213.394
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2347.091665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.091665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.266331 (E_RNA)
where:
Base-Base interactions energy: -1555.386
where: short stacking energy: -658.202
Base-Backbone interact. energy: 3.191
local terms energy: -797.071459
where:
bonds (distance) C4'-P energy: -147.933
bonds (distance) P-C4' energy: -154.760
flat angles C4'-P-C4' energy: -167.433
flat angles P-C4'-P energy: -127.613
tors. eta vs tors. theta energy: -199.332
Dist. restrs. and SS energy: 2.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2214.263876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.263876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.864331 (E_RNA)
where:
Base-Base interactions energy: -1471.146
where: short stacking energy: -632.634
Base-Backbone interact. energy: -2.078
local terms energy: -742.640512
where:
bonds (distance) C4'-P energy: -148.402
bonds (distance) P-C4' energy: -152.933
flat angles C4'-P-C4' energy: -167.788
flat angles P-C4'-P energy: -89.098
tors. eta vs tors. theta energy: -184.419
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2161.961148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.961148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.333604 (E_RNA)
where:
Base-Base interactions energy: -1472.196
where: short stacking energy: -624.349
Base-Backbone interact. energy: 1.308
local terms energy: -692.446211
where:
bonds (distance) C4'-P energy: -133.957
bonds (distance) P-C4' energy: -146.442
flat angles C4'-P-C4' energy: -157.282
flat angles P-C4'-P energy: -93.697
tors. eta vs tors. theta energy: -161.068
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2076.374792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.374792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.286479 (E_RNA)
where:
Base-Base interactions energy: -1451.728
where: short stacking energy: -587.950
Base-Backbone interact. energy: -4.003
local terms energy: -622.555983
where:
bonds (distance) C4'-P energy: -118.485
bonds (distance) P-C4' energy: -141.575
flat angles C4'-P-C4' energy: -129.123
flat angles P-C4'-P energy: -73.000
tors. eta vs tors. theta energy: -160.373
Dist. restrs. and SS energy: 1.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1967.860702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.860702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.142745 (E_RNA)
where:
Base-Base interactions energy: -1358.442
where: short stacking energy: -555.713
Base-Backbone interact. energy: 1.118
local terms energy: -613.818064
where:
bonds (distance) C4'-P energy: -122.076
bonds (distance) P-C4' energy: -124.911
flat angles C4'-P-C4' energy: -123.839
flat angles P-C4'-P energy: -88.555
tors. eta vs tors. theta energy: -154.437
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: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1898.985385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.985385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.916128 (E_RNA)
where:
Base-Base interactions energy: -1287.360
where: short stacking energy: -526.401
Base-Backbone interact. energy: -2.662
local terms energy: -612.894335
where:
bonds (distance) C4'-P energy: -121.988
bonds (distance) P-C4' energy: -121.992
flat angles C4'-P-C4' energy: -148.856
flat angles P-C4'-P energy: -71.735
tors. eta vs tors. theta energy: -148.323
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: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2943.219453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.219453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.138913 (E_RNA)
where:
Base-Base interactions energy: -2040.615
where: short stacking energy: -859.540
Base-Backbone interact. energy: -2.812
local terms energy: -900.711913
where:
bonds (distance) C4'-P energy: -168.190
bonds (distance) P-C4' energy: -164.724
flat angles C4'-P-C4' energy: -183.900
flat angles P-C4'-P energy: -135.797
tors. eta vs tors. theta energy: -248.100
Dist. restrs. and SS energy: 0.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2805.741986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.741986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.615369 (E_RNA)
where:
Base-Base interactions energy: -1917.403
where: short stacking energy: -817.072
Base-Backbone interact. energy: 1.583
local terms energy: -891.795464
where:
bonds (distance) C4'-P energy: -162.013
bonds (distance) P-C4' energy: -169.159
flat angles C4'-P-C4' energy: -174.575
flat angles P-C4'-P energy: -134.689
tors. eta vs tors. theta energy: -251.359
Dist. restrs. and SS energy: 1.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2613.282220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.282220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.392378 (E_RNA)
where:
Base-Base interactions energy: -1802.926
where: short stacking energy: -764.392
Base-Backbone interact. energy: -2.491
local terms energy: -808.975089
where:
bonds (distance) C4'-P energy: -160.319
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -181.734
flat angles P-C4'-P energy: -107.021
tors. eta vs tors. theta energy: -222.097
Dist. restrs. and SS energy: 1.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2522.304364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.304364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.170730 (E_RNA)
where:
Base-Base interactions energy: -1757.481
where: short stacking energy: -759.778
Base-Backbone interact. energy: 3.604
local terms energy: -770.293703
where:
bonds (distance) C4'-P energy: -142.249
bonds (distance) P-C4' energy: -148.335
flat angles C4'-P-C4' energy: -171.438
flat angles P-C4'-P energy: -88.759
tors. eta vs tors. theta energy: -219.512
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: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2337.872735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.872735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.878322 (E_RNA)
where:
Base-Base interactions energy: -1572.667
where: short stacking energy: -699.411
Base-Backbone interact. energy: -0.066
local terms energy: -767.145646
where:
bonds (distance) C4'-P energy: -143.880
bonds (distance) P-C4' energy: -149.627
flat angles C4'-P-C4' energy: -164.413
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -211.592
Dist. restrs. and SS energy: 2.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2189.679291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.679291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.188687 (E_RNA)
where:
Base-Base interactions energy: -1481.599
where: short stacking energy: -639.333
Base-Backbone interact. energy: 1.788
local terms energy: -713.377982
where:
bonds (distance) C4'-P energy: -142.438
bonds (distance) P-C4' energy: -145.036
flat angles C4'-P-C4' energy: -153.765
flat angles P-C4'-P energy: -99.023
tors. eta vs tors. theta energy: -173.116
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2145.944223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.944223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.748466 (E_RNA)
where:
Base-Base interactions energy: -1456.723
where: short stacking energy: -600.869
Base-Backbone interact. energy: 3.467
local terms energy: -694.492129
where:
bonds (distance) C4'-P energy: -130.087
bonds (distance) P-C4' energy: -149.908
flat angles C4'-P-C4' energy: -160.723
flat angles P-C4'-P energy: -89.436
tors. eta vs tors. theta energy: -164.338
Dist. restrs. and SS energy: 1.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2102.026584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.026584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.562333 (E_RNA)
where:
Base-Base interactions energy: -1444.277
where: short stacking energy: -627.981
Base-Backbone interact. energy: -1.735
local terms energy: -658.550128
where:
bonds (distance) C4'-P energy: -119.489
bonds (distance) P-C4' energy: -131.063
flat angles C4'-P-C4' energy: -151.649
flat angles P-C4'-P energy: -83.584
tors. eta vs tors. theta energy: -172.764
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1937.838522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.838522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.289534 (E_RNA)
where:
Base-Base interactions energy: -1326.353
where: short stacking energy: -548.721
Base-Backbone interact. energy: 9.783
local terms energy: -625.719367
where:
bonds (distance) C4'-P energy: -123.373
bonds (distance) P-C4' energy: -122.913
flat angles C4'-P-C4' energy: -145.559
flat angles P-C4'-P energy: -86.177
tors. eta vs tors. theta energy: -147.697
Dist. restrs. and SS energy: 4.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1930.256719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.256719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.338578 (E_RNA)
where:
Base-Base interactions energy: -1321.292
where: short stacking energy: -549.511
Base-Backbone interact. energy: -0.916
local terms energy: -611.131305
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -119.952
flat angles C4'-P-C4' energy: -148.935
flat angles P-C4'-P energy: -78.736
tors. eta vs tors. theta energy: -150.047
Dist. restrs. and SS energy: 3.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2903.091566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.091566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.949116 (E_RNA)
where:
Base-Base interactions energy: -2011.336
where: short stacking energy: -843.353
Base-Backbone interact. energy: -2.506
local terms energy: -891.107286
where:
bonds (distance) C4'-P energy: -157.242
bonds (distance) P-C4' energy: -176.179
flat angles C4'-P-C4' energy: -193.691
flat angles P-C4'-P energy: -114.412
tors. eta vs tors. theta energy: -249.583
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2818.758989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.758989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.324590 (E_RNA)
where:
Base-Base interactions energy: -1933.981
where: short stacking energy: -800.812
Base-Backbone interact. energy: -0.890
local terms energy: -885.453472
where:
bonds (distance) C4'-P energy: -149.332
bonds (distance) P-C4' energy: -167.416
flat angles C4'-P-C4' energy: -185.219
flat angles P-C4'-P energy: -133.023
tors. eta vs tors. theta energy: -250.464
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2591.766427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.766427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.350368 (E_RNA)
where:
Base-Base interactions energy: -1766.838
where: short stacking energy: -754.060
Base-Backbone interact. energy: 0.576
local terms energy: -827.088628
where:
bonds (distance) C4'-P energy: -162.419
bonds (distance) P-C4' energy: -155.481
flat angles C4'-P-C4' energy: -179.019
flat angles P-C4'-P energy: -108.234
tors. eta vs tors. theta energy: -221.936
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2550.951995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.951995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.503035 (E_RNA)
where:
Base-Base interactions energy: -1757.211
where: short stacking energy: -726.865
Base-Backbone interact. energy: -1.887
local terms energy: -793.405110
where:
bonds (distance) C4'-P energy: -141.015
bonds (distance) P-C4' energy: -150.722
flat angles C4'-P-C4' energy: -161.550
flat angles P-C4'-P energy: -121.360
tors. eta vs tors. theta energy: -218.758
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2342.911270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.911270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.829633 (E_RNA)
where:
Base-Base interactions energy: -1593.252
where: short stacking energy: -683.169
Base-Backbone interact. energy: 2.104
local terms energy: -755.680885
where:
bonds (distance) C4'-P energy: -137.186
bonds (distance) P-C4' energy: -145.790
flat angles C4'-P-C4' energy: -170.128
flat angles P-C4'-P energy: -109.847
tors. eta vs tors. theta energy: -192.730
Dist. restrs. and SS energy: 3.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2171.541166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.541166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.580433 (E_RNA)
where:
Base-Base interactions energy: -1454.071
where: short stacking energy: -632.074
Base-Backbone interact. energy: -1.290
local terms energy: -719.220017
where:
bonds (distance) C4'-P energy: -134.701
bonds (distance) P-C4' energy: -140.938
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -114.443
tors. eta vs tors. theta energy: -180.110
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: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2152.656673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.656673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.499142 (E_RNA)
where:
Base-Base interactions energy: -1452.545
where: short stacking energy: -612.271
Base-Backbone interact. energy: -1.744
local terms energy: -700.210501
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -136.564
flat angles C4'-P-C4' energy: -151.754
flat angles P-C4'-P energy: -103.105
tors. eta vs tors. theta energy: -173.877
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: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2071.372541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.372541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.224620 (E_RNA)
where:
Base-Base interactions energy: -1405.783
where: short stacking energy: -620.513
Base-Backbone interact. energy: 1.325
local terms energy: -668.766328
where:
bonds (distance) C4'-P energy: -136.428
bonds (distance) P-C4' energy: -111.114
flat angles C4'-P-C4' energy: -147.800
flat angles P-C4'-P energy: -102.239
tors. eta vs tors. theta energy: -171.185
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: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1920.478152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.478152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.532035 (E_RNA)
where:
Base-Base interactions energy: -1327.389
where: short stacking energy: -541.292
Base-Backbone interact. energy: -1.173
local terms energy: -593.970118
where:
bonds (distance) C4'-P energy: -113.012
bonds (distance) P-C4' energy: -123.671
flat angles C4'-P-C4' energy: -139.664
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -129.078
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -1867.232124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.232124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.613311 (E_RNA)
where:
Base-Base interactions energy: -1272.929
where: short stacking energy: -510.071
Base-Backbone interact. energy: 6.184
local terms energy: -603.868344
where:
bonds (distance) C4'-P energy: -114.308
bonds (distance) P-C4' energy: -144.075
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -92.601
tors. eta vs tors. theta energy: -133.175
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: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2919.512216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.512216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.199170 (E_RNA)
where:
Base-Base interactions energy: -2032.163
where: short stacking energy: -849.143
Base-Backbone interact. energy: -2.839
local terms energy: -886.197268
where:
bonds (distance) C4'-P energy: -146.635
bonds (distance) P-C4' energy: -172.036
flat angles C4'-P-C4' energy: -184.455
flat angles P-C4'-P energy: -136.264
tors. eta vs tors. theta energy: -246.807
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: 305
Temperature: 0.950000
Total energy: -2803.991360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.991360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.198011 (E_RNA)
where:
Base-Base interactions energy: -1934.820
where: short stacking energy: -816.273
Base-Backbone interact. energy: 7.454
local terms energy: -878.831659
where:
bonds (distance) C4'-P energy: -159.249
bonds (distance) P-C4' energy: -155.277
flat angles C4'-P-C4' energy: -184.080
flat angles P-C4'-P energy: -134.193
tors. eta vs tors. theta energy: -246.032
Dist. restrs. and SS energy: 2.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2622.677911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.481277 (E_RNA)
where:
Base-Base interactions energy: -1790.100
where: short stacking energy: -773.285
Base-Backbone interact. energy: -2.615
local terms energy: -831.766443
where:
bonds (distance) C4'-P energy: -155.398
bonds (distance) P-C4' energy: -174.004
flat angles C4'-P-C4' energy: -181.502
flat angles P-C4'-P energy: -102.756
tors. eta vs tors. theta energy: -218.107
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: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2550.490578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.490578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.307982 (E_RNA)
where:
Base-Base interactions energy: -1759.779
where: short stacking energy: -731.881
Base-Backbone interact. energy: -2.687
local terms energy: -790.842110
where:
bonds (distance) C4'-P energy: -160.860
bonds (distance) P-C4' energy: -148.557
flat angles C4'-P-C4' energy: -173.401
flat angles P-C4'-P energy: -93.544
tors. eta vs tors. theta energy: -214.481
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2320.090744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.090744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.044449 (E_RNA)
where:
Base-Base interactions energy: -1584.788
where: short stacking energy: -687.803
Base-Backbone interact. energy: 0.633
local terms energy: -737.888992
where:
bonds (distance) C4'-P energy: -131.988
bonds (distance) P-C4' energy: -152.150
flat angles C4'-P-C4' energy: -162.393
flat angles P-C4'-P energy: -105.429
tors. eta vs tors. theta energy: -185.930
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: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2187.078657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.078657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.401082 (E_RNA)
where:
Base-Base interactions energy: -1490.324
where: short stacking energy: -651.357
Base-Backbone interact. energy: -1.183
local terms energy: -697.893938
where:
bonds (distance) C4'-P energy: -117.007
bonds (distance) P-C4' energy: -152.771
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -101.347
tors. eta vs tors. theta energy: -174.620
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: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2131.398022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.398022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.830108 (E_RNA)
where:
Base-Base interactions energy: -1462.049
where: short stacking energy: -602.177
Base-Backbone interact. energy: 4.206
local terms energy: -674.986830
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -119.474
flat angles C4'-P-C4' energy: -161.416
flat angles P-C4'-P energy: -90.726
tors. eta vs tors. theta energy: -169.724
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: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2004.531219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.531219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.490982 (E_RNA)
where:
Base-Base interactions energy: -1386.676
where: short stacking energy: -583.521
Base-Backbone interact. energy: -0.436
local terms energy: -622.378831
where:
bonds (distance) C4'-P energy: -128.559
bonds (distance) P-C4' energy: -120.843
flat angles C4'-P-C4' energy: -158.544
flat angles P-C4'-P energy: -75.771
tors. eta vs tors. theta energy: -138.662
Dist. restrs. and SS energy: 4.960 (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: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1926.164108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.164108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.303920 (E_RNA)
where:
Base-Base interactions energy: -1326.186
where: short stacking energy: -549.247
Base-Backbone interact. energy: -1.833
local terms energy: -600.285125
where:
bonds (distance) C4'-P energy: -113.686
bonds (distance) P-C4' energy: -95.798
flat angles C4'-P-C4' energy: -155.411
flat angles P-C4'-P energy: -98.333
tors. eta vs tors. theta energy: -137.058
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: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1935.405365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.405365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.282782 (E_RNA)
where:
Base-Base interactions energy: -1316.843
where: short stacking energy: -554.209
Base-Backbone interact. energy: -1.293
local terms energy: -619.146443
where:
bonds (distance) C4'-P energy: -128.342
bonds (distance) P-C4' energy: -143.674
flat angles C4'-P-C4' energy: -139.729
flat angles P-C4'-P energy: -69.268
tors. eta vs tors. theta energy: -138.134
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: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2937.851259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.851259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.091799 (E_RNA)
where:
Base-Base interactions energy: -2072.844
where: short stacking energy: -866.271
Base-Backbone interact. energy: -3.267
local terms energy: -862.980981
where:
bonds (distance) C4'-P energy: -148.643
bonds (distance) P-C4' energy: -160.049
flat angles C4'-P-C4' energy: -185.535
flat angles P-C4'-P energy: -119.116
tors. eta vs tors. theta energy: -249.638
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2794.601639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.601639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.235065 (E_RNA)
where:
Base-Base interactions energy: -1940.229
where: short stacking energy: -831.144
Base-Backbone interact. energy: 0.879
local terms energy: -856.884735
where:
bonds (distance) C4'-P energy: -149.045
bonds (distance) P-C4' energy: -155.475
flat angles C4'-P-C4' energy: -194.614
flat angles P-C4'-P energy: -121.668
tors. eta vs tors. theta energy: -236.084
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: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2644.528922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.528922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.598537 (E_RNA)
where:
Base-Base interactions energy: -1811.779
where: short stacking energy: -753.934
Base-Backbone interact. energy: -1.099
local terms energy: -833.721106
where:
bonds (distance) C4'-P energy: -160.900
bonds (distance) P-C4' energy: -141.400
flat angles C4'-P-C4' energy: -189.300
flat angles P-C4'-P energy: -120.147
tors. eta vs tors. theta energy: -221.975
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2587.976772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.976772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.874793 (E_RNA)
where:
Base-Base interactions energy: -1767.090
where: short stacking energy: -765.762
Base-Backbone interact. energy: 5.489
local terms energy: -828.273565
where:
bonds (distance) C4'-P energy: -150.561
bonds (distance) P-C4' energy: -166.930
flat angles C4'-P-C4' energy: -184.661
flat angles P-C4'-P energy: -104.355
tors. eta vs tors. theta energy: -221.767
Dist. restrs. and SS energy: 1.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2390.320137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.320137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.146211 (E_RNA)
where:
Base-Base interactions energy: -1655.185
where: short stacking energy: -726.790
Base-Backbone interact. energy: 4.706
local terms energy: -741.668056
where:
bonds (distance) C4'-P energy: -142.440
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -100.019
tors. eta vs tors. theta energy: -197.259
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: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2216.936977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.936977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.783507 (E_RNA)
where:
Base-Base interactions energy: -1507.664
where: short stacking energy: -606.852
Base-Backbone interact. energy: 6.044
local terms energy: -717.163859
where:
bonds (distance) C4'-P energy: -152.000
bonds (distance) P-C4' energy: -141.035
flat angles C4'-P-C4' energy: -173.094
flat angles P-C4'-P energy: -96.430
tors. eta vs tors. theta energy: -154.605
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2154.668717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.668717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.077277 (E_RNA)
where:
Base-Base interactions energy: -1454.136
where: short stacking energy: -610.063
Base-Backbone interact. energy: 1.302
local terms energy: -703.243085
where:
bonds (distance) C4'-P energy: -123.693
bonds (distance) P-C4' energy: -149.461
flat angles C4'-P-C4' energy: -155.597
flat angles P-C4'-P energy: -93.064
tors. eta vs tors. theta energy: -181.428
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2059.047142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.047142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.120970 (E_RNA)
where:
Base-Base interactions energy: -1399.502
where: short stacking energy: -570.974
Base-Backbone interact. energy: -3.346
local terms energy: -659.272695
where:
bonds (distance) C4'-P energy: -122.942
bonds (distance) P-C4' energy: -141.403
flat angles C4'-P-C4' energy: -150.123
flat angles P-C4'-P energy: -97.509
tors. eta vs tors. theta energy: -147.296
Dist. restrs. and SS energy: 3.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1977.868048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.868048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.595541 (E_RNA)
where:
Base-Base interactions energy: -1338.246
where: short stacking energy: -546.272
Base-Backbone interact. energy: -2.253
local terms energy: -640.097328
where:
bonds (distance) C4'-P energy: -134.575
bonds (distance) P-C4' energy: -130.460
flat angles C4'-P-C4' energy: -141.642
flat angles P-C4'-P energy: -92.770
tors. eta vs tors. theta energy: -140.651
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: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1838.559305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.559305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.847675 (E_RNA)
where:
Base-Base interactions energy: -1239.075
where: short stacking energy: -502.587
Base-Backbone interact. energy: 4.862
local terms energy: -606.634690
where:
bonds (distance) C4'-P energy: -129.371
bonds (distance) P-C4' energy: -123.781
flat angles C4'-P-C4' energy: -142.045
flat angles P-C4'-P energy: -90.461
tors. eta vs tors. theta energy: -120.976
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2933.689267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.689267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.168128 (E_RNA)
where:
Base-Base interactions energy: -2045.214
where: short stacking energy: -845.036
Base-Backbone interact. energy: -4.927
local terms energy: -885.026722
where:
bonds (distance) C4'-P energy: -167.880
bonds (distance) P-C4' energy: -156.752
flat angles C4'-P-C4' energy: -181.096
flat angles P-C4'-P energy: -126.871
tors. eta vs tors. theta energy: -252.428
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: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2801.204929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.204929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.407881 (E_RNA)
where:
Base-Base interactions energy: -1935.256
where: short stacking energy: -830.913
Base-Backbone interact. energy: -0.974
local terms energy: -867.177615
where:
bonds (distance) C4'-P energy: -157.863
bonds (distance) P-C4' energy: -162.562
flat angles C4'-P-C4' energy: -187.379
flat angles P-C4'-P energy: -118.573
tors. eta vs tors. theta energy: -240.801
Dist. restrs. and SS energy: 2.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2646.062329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.062329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.398477 (E_RNA)
where:
Base-Base interactions energy: -1840.463
where: short stacking energy: -770.178
Base-Backbone interact. energy: -0.854
local terms energy: -807.080882
where:
bonds (distance) C4'-P energy: -141.926
bonds (distance) P-C4' energy: -150.043
flat angles C4'-P-C4' energy: -181.671
flat angles P-C4'-P energy: -122.269
tors. eta vs tors. theta energy: -211.172
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2586.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.960829 (E_RNA)
where:
Base-Base interactions energy: -1784.394
where: short stacking energy: -747.006
Base-Backbone interact. energy: 4.474
local terms energy: -810.041140
where:
bonds (distance) C4'-P energy: -148.999
bonds (distance) P-C4' energy: -149.004
flat angles C4'-P-C4' energy: -171.502
flat angles P-C4'-P energy: -124.398
tors. eta vs tors. theta energy: -216.139
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: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2356.882262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.882262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.521052 (E_RNA)
where:
Base-Base interactions energy: -1594.382
where: short stacking energy: -690.109
Base-Backbone interact. energy: 0.439
local terms energy: -764.578411
where:
bonds (distance) C4'-P energy: -119.069
bonds (distance) P-C4' energy: -158.246
flat angles C4'-P-C4' energy: -160.162
flat angles P-C4'-P energy: -114.068
tors. eta vs tors. theta energy: -213.033
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2235.033799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.033799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.242390 (E_RNA)
where:
Base-Base interactions energy: -1508.499
where: short stacking energy: -638.967
Base-Backbone interact. energy: -2.259
local terms energy: -726.484896
where:
bonds (distance) C4'-P energy: -138.766
bonds (distance) P-C4' energy: -145.375
flat angles C4'-P-C4' energy: -159.257
flat angles P-C4'-P energy: -98.856
tors. eta vs tors. theta energy: -184.231
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: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2208.547364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.547364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.528903 (E_RNA)
where:
Base-Base interactions energy: -1503.934
where: short stacking energy: -645.259
Base-Backbone interact. energy: -0.644
local terms energy: -705.951470
where:
bonds (distance) C4'-P energy: -146.301
bonds (distance) P-C4' energy: -124.878
flat angles C4'-P-C4' energy: -155.335
flat angles P-C4'-P energy: -99.776
tors. eta vs tors. theta energy: -179.661
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: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1997.688642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.688642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.052425 (E_RNA)
where:
Base-Base interactions energy: -1331.749
where: short stacking energy: -549.254
Base-Backbone interact. energy: 3.532
local terms energy: -671.835576
where:
bonds (distance) C4'-P energy: -149.987
bonds (distance) P-C4' energy: -140.745
flat angles C4'-P-C4' energy: -164.907
flat angles P-C4'-P energy: -76.610
tors. eta vs tors. theta energy: -139.587
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1961.000647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.000647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.742744 (E_RNA)
where:
Base-Base interactions energy: -1301.495
where: short stacking energy: -568.924
Base-Backbone interact. energy: 0.043
local terms energy: -663.291164
where:
bonds (distance) C4'-P energy: -125.292
bonds (distance) P-C4' energy: -150.094
flat angles C4'-P-C4' energy: -152.003
flat angles P-C4'-P energy: -97.152
tors. eta vs tors. theta energy: -138.749
Dist. restrs. and SS energy: 3.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1847.235866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.235866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.122950 (E_RNA)
where:
Base-Base interactions energy: -1271.916
where: short stacking energy: -510.886
Base-Backbone interact. energy: 9.695
local terms energy: -587.902373
where:
bonds (distance) C4'-P energy: -111.388
bonds (distance) P-C4' energy: -137.095
flat angles C4'-P-C4' energy: -132.343
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -134.795
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2937.188135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.188135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.868825 (E_RNA)
where:
Base-Base interactions energy: -2044.674
where: short stacking energy: -823.525
Base-Backbone interact. energy: -4.768
local terms energy: -889.426787
where:
bonds (distance) C4'-P energy: -165.310
bonds (distance) P-C4' energy: -170.236
flat angles C4'-P-C4' energy: -179.355
flat angles P-C4'-P energy: -130.631
tors. eta vs tors. theta energy: -243.894
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2788.283883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.283883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.132828 (E_RNA)
where:
Base-Base interactions energy: -1915.304
where: short stacking energy: -783.860
Base-Backbone interact. energy: 0.014
local terms energy: -874.842179
where:
bonds (distance) C4'-P energy: -149.930
bonds (distance) P-C4' energy: -168.980
flat angles C4'-P-C4' energy: -188.095
flat angles P-C4'-P energy: -128.556
tors. eta vs tors. theta energy: -239.281
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: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2636.767242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.767242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.492985 (E_RNA)
where:
Base-Base interactions energy: -1810.627
where: short stacking energy: -759.439
Base-Backbone interact. energy: -3.023
local terms energy: -824.843297
where:
bonds (distance) C4'-P energy: -158.990
bonds (distance) P-C4' energy: -151.208
flat angles C4'-P-C4' energy: -178.965
flat angles P-C4'-P energy: -113.807
tors. eta vs tors. theta energy: -221.873
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: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2555.558142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.558142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.098650 (E_RNA)
where:
Base-Base interactions energy: -1764.670
where: short stacking energy: -721.121
Base-Backbone interact. energy: -3.136
local terms energy: -790.292676
where:
bonds (distance) C4'-P energy: -151.259
bonds (distance) P-C4' energy: -158.078
flat angles C4'-P-C4' energy: -176.515
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: -218.995
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2373.863025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.863025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.793321 (E_RNA)
where:
Base-Base interactions energy: -1606.273
where: short stacking energy: -705.768
Base-Backbone interact. energy: -2.785
local terms energy: -767.735316
where:
bonds (distance) C4'-P energy: -144.820
bonds (distance) P-C4' energy: -147.010
flat angles C4'-P-C4' energy: -160.137
flat angles P-C4'-P energy: -108.429
tors. eta vs tors. theta energy: -207.338
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: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2217.459727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.459727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.435461 (E_RNA)
where:
Base-Base interactions energy: -1496.451
where: short stacking energy: -661.118
Base-Backbone interact. energy: -2.458
local terms energy: -720.526716
where:
bonds (distance) C4'-P energy: -135.445
bonds (distance) P-C4' energy: -142.790
flat angles C4'-P-C4' energy: -165.050
flat angles P-C4'-P energy: -97.046
tors. eta vs tors. theta energy: -180.196
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2150.032172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.032172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.799489 (E_RNA)
where:
Base-Base interactions energy: -1479.009
where: short stacking energy: -616.433
Base-Backbone interact. energy: 9.488
local terms energy: -682.278066
where:
bonds (distance) C4'-P energy: -127.707
bonds (distance) P-C4' energy: -129.349
flat angles C4'-P-C4' energy: -148.460
flat angles P-C4'-P energy: -115.274
tors. eta vs tors. theta energy: -161.487
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: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1993.069977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.069977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.489075 (E_RNA)
where:
Base-Base interactions energy: -1340.526
where: short stacking energy: -566.012
Base-Backbone interact. energy: -2.371
local terms energy: -652.592271
where:
bonds (distance) C4'-P energy: -140.156
bonds (distance) P-C4' energy: -115.479
flat angles C4'-P-C4' energy: -159.029
flat angles P-C4'-P energy: -90.508
tors. eta vs tors. theta energy: -147.420
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1979.592119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.592119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.438883 (E_RNA)
where:
Base-Base interactions energy: -1334.324
where: short stacking energy: -547.280
Base-Backbone interact. energy: -1.420
local terms energy: -645.694325
where:
bonds (distance) C4'-P energy: -131.035
bonds (distance) P-C4' energy: -160.162
flat angles C4'-P-C4' energy: -160.208
flat angles P-C4'-P energy: -63.474
tors. eta vs tors. theta energy: -130.815
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: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1877.145747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.145747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.382644 (E_RNA)
where:
Base-Base interactions energy: -1284.398
where: short stacking energy: -533.621
Base-Backbone interact. energy: -3.152
local terms energy: -591.832453
where:
bonds (distance) C4'-P energy: -115.548
bonds (distance) P-C4' energy: -100.507
flat angles C4'-P-C4' energy: -144.392
flat angles P-C4'-P energy: -91.285
tors. eta vs tors. theta energy: -140.100
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: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2928.033113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.033113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.895210 (E_RNA)
where:
Base-Base interactions energy: -2040.510
where: short stacking energy: -842.122
Base-Backbone interact. energy: -0.162
local terms energy: -888.222312
where:
bonds (distance) C4'-P energy: -154.289
bonds (distance) P-C4' energy: -158.514
flat angles C4'-P-C4' energy: -192.656
flat angles P-C4'-P energy: -137.987
tors. eta vs tors. theta energy: -244.776
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: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2803.914166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.914166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.432276 (E_RNA)
where:
Base-Base interactions energy: -1936.794
where: short stacking energy: -834.225
Base-Backbone interact. energy: 1.650
local terms energy: -871.288157
where:
bonds (distance) C4'-P energy: -157.627
bonds (distance) P-C4' energy: -150.480
flat angles C4'-P-C4' energy: -182.281
flat angles P-C4'-P energy: -123.763
tors. eta vs tors. theta energy: -257.137
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: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2638.016233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.016233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.908394 (E_RNA)
where:
Base-Base interactions energy: -1815.508
where: short stacking energy: -769.354
Base-Backbone interact. energy: -3.101
local terms energy: -822.299413
where:
bonds (distance) C4'-P energy: -144.442
bonds (distance) P-C4' energy: -155.242
flat angles C4'-P-C4' energy: -177.989
flat angles P-C4'-P energy: -115.729
tors. eta vs tors. theta energy: -228.896
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2515.725021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.725021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.871368 (E_RNA)
where:
Base-Base interactions energy: -1709.582
where: short stacking energy: -729.635
Base-Backbone interact. energy: 0.119
local terms energy: -808.407655
where:
bonds (distance) C4'-P energy: -156.421
bonds (distance) P-C4' energy: -159.893
flat angles C4'-P-C4' energy: -172.848
flat angles P-C4'-P energy: -113.165
tors. eta vs tors. theta energy: -206.081
Dist. restrs. and SS energy: 2.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2376.137875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.137875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.384914 (E_RNA)
where:
Base-Base interactions energy: -1611.514
where: short stacking energy: -708.491
Base-Backbone interact. energy: -1.090
local terms energy: -764.780922
where:
bonds (distance) C4'-P energy: -132.506
bonds (distance) P-C4' energy: -158.923
flat angles C4'-P-C4' energy: -166.074
flat angles P-C4'-P energy: -108.024
tors. eta vs tors. theta energy: -199.253
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: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2249.568304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.568304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.629893 (E_RNA)
where:
Base-Base interactions energy: -1548.229
where: short stacking energy: -671.729
Base-Backbone interact. energy: 1.334
local terms energy: -704.734668
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -135.649
flat angles C4'-P-C4' energy: -161.367
flat angles P-C4'-P energy: -117.488
tors. eta vs tors. theta energy: -183.384
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: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2121.444534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.444534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.850998 (E_RNA)
where:
Base-Base interactions energy: -1436.815
where: short stacking energy: -622.156
Base-Backbone interact. energy: -1.835
local terms energy: -685.200513
where:
bonds (distance) C4'-P energy: -151.965
bonds (distance) P-C4' energy: -116.744
flat angles C4'-P-C4' energy: -147.192
flat angles P-C4'-P energy: -97.630
tors. eta vs tors. theta energy: -171.670
Dist. restrs. and SS energy: 2.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2026.919345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.919345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.915404 (E_RNA)
where:
Base-Base interactions energy: -1365.098
where: short stacking energy: -592.240
Base-Backbone interact. energy: -0.224
local terms energy: -664.593807
where:
bonds (distance) C4'-P energy: -149.656
bonds (distance) P-C4' energy: -116.615
flat angles C4'-P-C4' energy: -155.308
flat angles P-C4'-P energy: -91.527
tors. eta vs tors. theta energy: -151.488
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: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1975.264531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.264531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.762579 (E_RNA)
where:
Base-Base interactions energy: -1400.527
where: short stacking energy: -560.261
Base-Backbone interact. energy: 6.275
local terms energy: -583.511163
where:
bonds (distance) C4'-P energy: -132.184
bonds (distance) P-C4' energy: -118.224
flat angles C4'-P-C4' energy: -133.845
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -130.528
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: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1879.884145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.884145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.351249 (E_RNA)
where:
Base-Base interactions energy: -1254.449
where: short stacking energy: -523.499
Base-Backbone interact. energy: -1.292
local terms energy: -627.610059
where:
bonds (distance) C4'-P energy: -124.564
bonds (distance) P-C4' energy: -132.880
flat angles C4'-P-C4' energy: -140.148
flat angles P-C4'-P energy: -103.273
tors. eta vs tors. theta energy: -126.745
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: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2929.783925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.783925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.524751 (E_RNA)
where:
Base-Base interactions energy: -2031.129
where: short stacking energy: -847.351
Base-Backbone interact. energy: -2.526
local terms energy: -896.869248
where:
bonds (distance) C4'-P energy: -155.029
bonds (distance) P-C4' energy: -168.715
flat angles C4'-P-C4' energy: -192.447
flat angles P-C4'-P energy: -134.610
tors. eta vs tors. theta energy: -246.068
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2843.420656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.420656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.477422 (E_RNA)
where:
Base-Base interactions energy: -1958.854
where: short stacking energy: -830.218
Base-Backbone interact. energy: -2.321
local terms energy: -883.302599
where:
bonds (distance) C4'-P energy: -163.804
bonds (distance) P-C4' energy: -156.083
flat angles C4'-P-C4' energy: -185.092
flat angles P-C4'-P energy: -124.567
tors. eta vs tors. theta energy: -253.756
Dist. restrs. and SS energy: 1.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2657.878540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.878540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.584813 (E_RNA)
where:
Base-Base interactions energy: -1842.513
where: short stacking energy: -776.517
Base-Backbone interact. energy: -0.868
local terms energy: -817.204185
where:
bonds (distance) C4'-P energy: -155.941
bonds (distance) P-C4' energy: -150.909
flat angles C4'-P-C4' energy: -177.585
flat angles P-C4'-P energy: -118.456
tors. eta vs tors. theta energy: -214.313
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2551.759895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.759895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.946872 (E_RNA)
where:
Base-Base interactions energy: -1741.239
where: short stacking energy: -752.974
Base-Backbone interact. energy: -3.317
local terms energy: -808.391188
where:
bonds (distance) C4'-P energy: -141.654
bonds (distance) P-C4' energy: -147.842
flat angles C4'-P-C4' energy: -175.123
flat angles P-C4'-P energy: -122.279
tors. eta vs tors. theta energy: -221.493
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2396.569208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.569208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.099631 (E_RNA)
where:
Base-Base interactions energy: -1640.370
where: short stacking energy: -711.034
Base-Backbone interact. energy: -2.130
local terms energy: -755.599147
where:
bonds (distance) C4'-P energy: -137.000
bonds (distance) P-C4' energy: -145.548
flat angles C4'-P-C4' energy: -157.929
flat angles P-C4'-P energy: -104.310
tors. eta vs tors. theta energy: -210.812
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2272.534388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.841992 (E_RNA)
where:
Base-Base interactions energy: -1567.616
where: short stacking energy: -664.408
Base-Backbone interact. energy: 2.917
local terms energy: -709.143023
where:
bonds (distance) C4'-P energy: -145.900
bonds (distance) P-C4' energy: -133.272
flat angles C4'-P-C4' energy: -148.561
flat angles P-C4'-P energy: -95.966
tors. eta vs tors. theta energy: -185.442
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2170.113534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.121097 (E_RNA)
where:
Base-Base interactions energy: -1492.906
where: short stacking energy: -628.793
Base-Backbone interact. energy: -4.337
local terms energy: -674.878717
where:
bonds (distance) C4'-P energy: -125.426
bonds (distance) P-C4' energy: -137.106
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -104.833
tors. eta vs tors. theta energy: -169.451
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: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2001.046420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.046420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.322470 (E_RNA)
where:
Base-Base interactions energy: -1369.259
where: short stacking energy: -581.685
Base-Backbone interact. energy: -1.443
local terms energy: -633.619560
where:
bonds (distance) C4'-P energy: -127.618
bonds (distance) P-C4' energy: -123.915
flat angles C4'-P-C4' energy: -159.329
flat angles P-C4'-P energy: -86.492
tors. eta vs tors. theta energy: -136.266
Dist. restrs. and SS energy: 3.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1969.837663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.837663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.550431 (E_RNA)
where:
Base-Base interactions energy: -1358.015
where: short stacking energy: -539.295
Base-Backbone interact. energy: -3.546
local terms energy: -616.989182
where:
bonds (distance) C4'-P energy: -125.552
bonds (distance) P-C4' energy: -142.229
flat angles C4'-P-C4' energy: -143.324
flat angles P-C4'-P energy: -85.672
tors. eta vs tors. theta energy: -120.212
Dist. restrs. and SS energy: 8.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1845.482273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.482273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.574204 (E_RNA)
where:
Base-Base interactions energy: -1237.506
where: short stacking energy: -503.401
Base-Backbone interact. energy: -1.723
local terms energy: -608.344630
where:
bonds (distance) C4'-P energy: -134.537
bonds (distance) P-C4' energy: -136.520
flat angles C4'-P-C4' energy: -121.552
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -132.862
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: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2890.854202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.854202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.206499 (E_RNA)
where:
Base-Base interactions energy: -2010.592
where: short stacking energy: -840.444
Base-Backbone interact. energy: -5.324
local terms energy: -876.290669
where:
bonds (distance) C4'-P energy: -156.316
bonds (distance) P-C4' energy: -155.432
flat angles C4'-P-C4' energy: -181.881
flat angles P-C4'-P energy: -132.363
tors. eta vs tors. theta energy: -250.298
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: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2788.303099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.303099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.993079 (E_RNA)
where:
Base-Base interactions energy: -1904.111
where: short stacking energy: -818.925
Base-Backbone interact. energy: -0.143
local terms energy: -884.738533
where:
bonds (distance) C4'-P energy: -161.460
bonds (distance) P-C4' energy: -165.445
flat angles C4'-P-C4' energy: -183.761
flat angles P-C4'-P energy: -131.956
tors. eta vs tors. theta energy: -242.116
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2645.291688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.291688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.334593 (E_RNA)
where:
Base-Base interactions energy: -1814.361
where: short stacking energy: -761.301
Base-Backbone interact. energy: -2.300
local terms energy: -830.673487
where:
bonds (distance) C4'-P energy: -148.451
bonds (distance) P-C4' energy: -169.324
flat angles C4'-P-C4' energy: -166.038
flat angles P-C4'-P energy: -117.956
tors. eta vs tors. theta energy: -228.904
Dist. restrs. and SS energy: 2.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2560.516386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.516386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.324286 (E_RNA)
where:
Base-Base interactions energy: -1754.642
where: short stacking energy: -697.854
Base-Backbone interact. energy: -0.952
local terms energy: -806.730726
where:
bonds (distance) C4'-P energy: -141.819
bonds (distance) P-C4' energy: -154.296
flat angles C4'-P-C4' energy: -182.489
flat angles P-C4'-P energy: -113.851
tors. eta vs tors. theta energy: -214.277
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2356.094693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.094693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.171382 (E_RNA)
where:
Base-Base interactions energy: -1578.699
where: short stacking energy: -681.938
Base-Backbone interact. energy: 6.689
local terms energy: -786.161167
where:
bonds (distance) C4'-P energy: -142.724
bonds (distance) P-C4' energy: -159.548
flat angles C4'-P-C4' energy: -174.805
flat angles P-C4'-P energy: -108.869
tors. eta vs tors. theta energy: -200.216
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: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2277.870743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.870743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.630328 (E_RNA)
where:
Base-Base interactions energy: -1553.870
where: short stacking energy: -673.837
Base-Backbone interact. energy: -2.606
local terms energy: -723.154061
where:
bonds (distance) C4'-P energy: -140.362
bonds (distance) P-C4' energy: -148.079
flat angles C4'-P-C4' energy: -149.617
flat angles P-C4'-P energy: -95.985
tors. eta vs tors. theta energy: -189.111
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: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2217.160669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.160669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.126409 (E_RNA)
where:
Base-Base interactions energy: -1516.967
where: short stacking energy: -652.495
Base-Backbone interact. energy: -2.421
local terms energy: -700.737671
where:
bonds (distance) C4'-P energy: -121.138
bonds (distance) P-C4' energy: -150.540
flat angles C4'-P-C4' energy: -157.246
flat angles P-C4'-P energy: -91.531
tors. eta vs tors. theta energy: -180.282
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: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2029.358071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.358071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.048154 (E_RNA)
where:
Base-Base interactions energy: -1340.638
where: short stacking energy: -590.640
Base-Backbone interact. energy: -2.572
local terms energy: -687.838101
where:
bonds (distance) C4'-P energy: -125.465
bonds (distance) P-C4' energy: -132.466
flat angles C4'-P-C4' energy: -167.719
flat angles P-C4'-P energy: -90.684
tors. eta vs tors. theta energy: -171.504
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1970.940465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.940465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.796701 (E_RNA)
where:
Base-Base interactions energy: -1347.024
where: short stacking energy: -558.783
Base-Backbone interact. energy: -2.590
local terms energy: -623.182226
where:
bonds (distance) C4'-P energy: -120.563
bonds (distance) P-C4' energy: -116.832
flat angles C4'-P-C4' energy: -135.638
flat angles P-C4'-P energy: -89.225
tors. eta vs tors. theta energy: -160.924
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: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1947.626807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.626807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.059642 (E_RNA)
where:
Base-Base interactions energy: -1307.414
where: short stacking energy: -543.142
Base-Backbone interact. energy: -3.475
local terms energy: -639.170423
where:
bonds (distance) C4'-P energy: -120.932
bonds (distance) P-C4' energy: -139.841
flat angles C4'-P-C4' energy: -149.174
flat angles P-C4'-P energy: -88.474
tors. eta vs tors. theta energy: -140.750
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: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2916.441071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.441071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.999354 (E_RNA)
where:
Base-Base interactions energy: -2050.376
where: short stacking energy: -813.145
Base-Backbone interact. energy: -3.583
local terms energy: -864.040261
where:
bonds (distance) C4'-P energy: -149.415
bonds (distance) P-C4' energy: -165.137
flat angles C4'-P-C4' energy: -180.610
flat angles P-C4'-P energy: -122.713
tors. eta vs tors. theta energy: -246.164
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2784.883045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.883045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.704582 (E_RNA)
where:
Base-Base interactions energy: -1924.644
where: short stacking energy: -823.617
Base-Backbone interact. energy: -4.239
local terms energy: -857.820824
where:
bonds (distance) C4'-P energy: -154.551
bonds (distance) P-C4' energy: -151.079
flat angles C4'-P-C4' energy: -184.917
flat angles P-C4'-P energy: -117.785
tors. eta vs tors. theta energy: -249.489
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: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2644.384693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.384693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.604147 (E_RNA)
where:
Base-Base interactions energy: -1843.335
where: short stacking energy: -787.857
Base-Backbone interact. energy: -2.506
local terms energy: -800.763593
where:
bonds (distance) C4'-P energy: -138.304
bonds (distance) P-C4' energy: -149.181
flat angles C4'-P-C4' energy: -170.137
flat angles P-C4'-P energy: -116.754
tors. eta vs tors. theta energy: -226.387
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: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2537.894689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.894689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.797338 (E_RNA)
where:
Base-Base interactions energy: -1725.076
where: short stacking energy: -736.272
Base-Backbone interact. energy: 1.177
local terms energy: -816.898146
where:
bonds (distance) C4'-P energy: -168.055
bonds (distance) P-C4' energy: -148.391
flat angles C4'-P-C4' energy: -168.058
flat angles P-C4'-P energy: -116.766
tors. eta vs tors. theta energy: -215.629
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2395.104453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.104453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.255087 (E_RNA)
where:
Base-Base interactions energy: -1615.572
where: short stacking energy: -712.407
Base-Backbone interact. energy: 4.851
local terms energy: -785.533931
where:
bonds (distance) C4'-P energy: -137.786
bonds (distance) P-C4' energy: -165.788
flat angles C4'-P-C4' energy: -165.008
flat angles P-C4'-P energy: -108.025
tors. eta vs tors. theta energy: -208.927
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: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2237.106265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.106265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.033928 (E_RNA)
where:
Base-Base interactions energy: -1535.270
where: short stacking energy: -667.258
Base-Backbone interact. energy: -4.895
local terms energy: -698.868475
where:
bonds (distance) C4'-P energy: -112.809
bonds (distance) P-C4' energy: -132.102
flat angles C4'-P-C4' energy: -174.773
flat angles P-C4'-P energy: -107.027
tors. eta vs tors. theta energy: -172.157
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: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2144.743113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.743113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.457192 (E_RNA)
where:
Base-Base interactions energy: -1461.023
where: short stacking energy: -601.340
Base-Backbone interact. energy: 1.701
local terms energy: -688.135027
where:
bonds (distance) C4'-P energy: -138.418
bonds (distance) P-C4' energy: -142.864
flat angles C4'-P-C4' energy: -149.996
flat angles P-C4'-P energy: -86.884
tors. eta vs tors. theta energy: -169.972
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2029.087770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.087770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.692297 (E_RNA)
where:
Base-Base interactions energy: -1374.396
where: short stacking energy: -583.334
Base-Backbone interact. energy: -5.234
local terms energy: -652.062601
where:
bonds (distance) C4'-P energy: -103.014
bonds (distance) P-C4' energy: -141.323
flat angles C4'-P-C4' energy: -154.507
flat angles P-C4'-P energy: -105.564
tors. eta vs tors. theta energy: -147.655
Dist. restrs. and SS energy: 2.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1948.655714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.655714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.664113 (E_RNA)
where:
Base-Base interactions energy: -1355.702
where: short stacking energy: -565.629
Base-Backbone interact. energy: -4.164
local terms energy: -592.798577
where:
bonds (distance) C4'-P energy: -109.998
bonds (distance) P-C4' energy: -125.810
flat angles C4'-P-C4' energy: -143.327
flat angles P-C4'-P energy: -83.370
tors. eta vs tors. theta energy: -130.292
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: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1917.233471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.233471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.172616 (E_RNA)
where:
Base-Base interactions energy: -1274.939
where: short stacking energy: -542.647
Base-Backbone interact. energy: 4.960
local terms energy: -650.193666
where:
bonds (distance) C4'-P energy: -130.723
bonds (distance) P-C4' energy: -126.853
flat angles C4'-P-C4' energy: -137.677
flat angles P-C4'-P energy: -98.495
tors. eta vs tors. theta energy: -156.445
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: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2950.807320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.807320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.061885 (E_RNA)
where:
Base-Base interactions energy: -2055.493
where: short stacking energy: -831.382
Base-Backbone interact. energy: -3.205
local terms energy: -893.363201
where:
bonds (distance) C4'-P energy: -151.140
bonds (distance) P-C4' energy: -177.326
flat angles C4'-P-C4' energy: -187.711
flat angles P-C4'-P energy: -129.488
tors. eta vs tors. theta energy: -247.698
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: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2802.214408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.214408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.153573 (E_RNA)
where:
Base-Base interactions energy: -1949.247
where: short stacking energy: -821.496
Base-Backbone interact. energy: -0.417
local terms energy: -853.489458
where:
bonds (distance) C4'-P energy: -149.752
bonds (distance) P-C4' energy: -166.700
flat angles C4'-P-C4' energy: -176.239
flat angles P-C4'-P energy: -117.347
tors. eta vs tors. theta energy: -243.451
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: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2667.088790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.088790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.306366 (E_RNA)
where:
Base-Base interactions energy: -1852.695
where: short stacking energy: -802.078
Base-Backbone interact. energy: -2.388
local terms energy: -815.223777
where:
bonds (distance) C4'-P energy: -145.288
bonds (distance) P-C4' energy: -150.878
flat angles C4'-P-C4' energy: -174.728
flat angles P-C4'-P energy: -110.378
tors. eta vs tors. theta energy: -233.951
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: 313
Temperature: 1.050000
Total energy: -2536.676276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.396073 (E_RNA)
where:
Base-Base interactions energy: -1745.744
where: short stacking energy: -732.498
Base-Backbone interact. energy: 1.833
local terms energy: -794.485528
where:
bonds (distance) C4'-P energy: -136.084
bonds (distance) P-C4' energy: -149.845
flat angles C4'-P-C4' energy: -176.717
flat angles P-C4'-P energy: -117.802
tors. eta vs tors. theta energy: -214.037
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2333.963587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.129538 (E_RNA)
where:
Base-Base interactions energy: -1600.817
where: short stacking energy: -703.517
Base-Backbone interact. energy: 3.299
local terms energy: -737.611407
where:
bonds (distance) C4'-P energy: -143.501
bonds (distance) P-C4' energy: -127.828
flat angles C4'-P-C4' energy: -156.934
flat angles P-C4'-P energy: -115.744
tors. eta vs tors. theta energy: -193.605
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: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2212.205221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.205221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.163182 (E_RNA)
where:
Base-Base interactions energy: -1480.435
where: short stacking energy: -624.254
Base-Backbone interact. energy: -2.376
local terms energy: -731.351928
where:
bonds (distance) C4'-P energy: -151.164
bonds (distance) P-C4' energy: -157.658
flat angles C4'-P-C4' energy: -145.683
flat angles P-C4'-P energy: -102.199
tors. eta vs tors. theta energy: -174.648
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2153.384754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.384754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.719053 (E_RNA)
where:
Base-Base interactions energy: -1419.941
where: short stacking energy: -628.046
Base-Backbone interact. energy: -1.885
local terms energy: -735.893223
where:
bonds (distance) C4'-P energy: -138.368
bonds (distance) P-C4' energy: -151.274
flat angles C4'-P-C4' energy: -171.397
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -182.461
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2007.419685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.419685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.847918 (E_RNA)
where:
Base-Base interactions energy: -1352.044
where: short stacking energy: -583.366
Base-Backbone interact. energy: 1.195
local terms energy: -658.998991
where:
bonds (distance) C4'-P energy: -114.827
bonds (distance) P-C4' energy: -137.658
flat angles C4'-P-C4' energy: -162.503
flat angles P-C4'-P energy: -83.300
tors. eta vs tors. theta energy: -160.711
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: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1979.027420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.027420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.033917 (E_RNA)
where:
Base-Base interactions energy: -1341.763
where: short stacking energy: -573.517
Base-Backbone interact. energy: -0.078
local terms energy: -639.193282
where:
bonds (distance) C4'-P energy: -124.559
bonds (distance) P-C4' energy: -133.606
flat angles C4'-P-C4' energy: -137.197
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -151.588
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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -1866.354534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.354534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.319955 (E_RNA)
where:
Base-Base interactions energy: -1253.606
where: short stacking energy: -505.381
Base-Backbone interact. energy: 7.822
local terms energy: -622.536008
where:
bonds (distance) C4'-P energy: -134.494
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -156.170
flat angles P-C4'-P energy: -83.288
tors. eta vs tors. theta energy: -136.568
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: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2937.641519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.641519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.954879 (E_RNA)
where:
Base-Base interactions energy: -2055.989
where: short stacking energy: -828.875
Base-Backbone interact. energy: -3.185
local terms energy: -879.780371
where:
bonds (distance) C4'-P energy: -165.577
bonds (distance) P-C4' energy: -162.026
flat angles C4'-P-C4' energy: -190.421
flat angles P-C4'-P energy: -117.256
tors. eta vs tors. theta energy: -244.500
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: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2838.863682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.863682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.885124 (E_RNA)
where:
Base-Base interactions energy: -2001.005
where: short stacking energy: -850.089
Base-Backbone interact. energy: 1.377
local terms energy: -840.257258
where:
bonds (distance) C4'-P energy: -139.323
bonds (distance) P-C4' energy: -138.314
flat angles C4'-P-C4' energy: -194.997
flat angles P-C4'-P energy: -120.904
tors. eta vs tors. theta energy: -246.719
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2670.964695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.964695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.837754 (E_RNA)
where:
Base-Base interactions energy: -1798.333
where: short stacking energy: -786.730
Base-Backbone interact. energy: -2.916
local terms energy: -872.588676
where:
bonds (distance) C4'-P energy: -161.242
bonds (distance) P-C4' energy: -152.386
flat angles C4'-P-C4' energy: -193.139
flat angles P-C4'-P energy: -118.111
tors. eta vs tors. theta energy: -247.712
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: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2578.408979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.408979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.352465 (E_RNA)
where:
Base-Base interactions energy: -1743.361
where: short stacking energy: -754.142
Base-Backbone interact. energy: -2.667
local terms energy: -834.324541
where:
bonds (distance) C4'-P energy: -162.888
bonds (distance) P-C4' energy: -154.062
flat angles C4'-P-C4' energy: -170.517
flat angles P-C4'-P energy: -114.086
tors. eta vs tors. theta energy: -232.772
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: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2374.221909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.221909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.505504 (E_RNA)
where:
Base-Base interactions energy: -1597.286
where: short stacking energy: -671.991
Base-Backbone interact. energy: -3.095
local terms energy: -775.125046
where:
bonds (distance) C4'-P energy: -137.524
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -173.452
flat angles P-C4'-P energy: -113.491
tors. eta vs tors. theta energy: -209.190
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2243.135139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.135139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.506820 (E_RNA)
where:
Base-Base interactions energy: -1557.831
where: short stacking energy: -701.942
Base-Backbone interact. energy: 2.854
local terms energy: -691.529288
where:
bonds (distance) C4'-P energy: -118.054
bonds (distance) P-C4' energy: -113.174
flat angles C4'-P-C4' energy: -162.538
flat angles P-C4'-P energy: -100.929
tors. eta vs tors. theta energy: -196.835
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -2183.544383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.544383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.066351 (E_RNA)
where:
Base-Base interactions energy: -1509.919
where: short stacking energy: -638.420
Base-Backbone interact. energy: 0.803
local terms energy: -676.949978
where:
bonds (distance) C4'-P energy: -113.903
bonds (distance) P-C4' energy: -133.361
flat angles C4'-P-C4' energy: -151.713
flat angles P-C4'-P energy: -104.574
tors. eta vs tors. theta energy: -173.399
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -2036.109937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.109937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.735829 (E_RNA)
where:
Base-Base interactions energy: -1352.335
where: short stacking energy: -585.171
Base-Backbone interact. energy: 0.986
local terms energy: -690.387447
where:
bonds (distance) C4'-P energy: -144.078
bonds (distance) P-C4' energy: -134.262
flat angles C4'-P-C4' energy: -154.694
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -158.736
Dist. restrs. and SS energy: 5.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1956.381944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.381944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.402486 (E_RNA)
where:
Base-Base interactions energy: -1328.091
where: short stacking energy: -556.504
Base-Backbone interact. energy: -0.037
local terms energy: -632.274171
where:
bonds (distance) C4'-P energy: -114.242
bonds (distance) P-C4' energy: -126.266
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -102.230
tors. eta vs tors. theta energy: -157.598
Dist. restrs. and SS energy: 4.021 (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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -1865.550394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.550394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.377965 (E_RNA)
where:
Base-Base interactions energy: -1273.745
where: short stacking energy: -523.642
Base-Backbone interact. energy: 0.947
local terms energy: -596.580512
where:
bonds (distance) C4'-P energy: -131.911
bonds (distance) P-C4' energy: -129.096
flat angles C4'-P-C4' energy: -136.500
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -118.913
Dist. restrs. and SS energy: 3.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2958.001123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.001123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.045682 (E_RNA)
where:
Base-Base interactions energy: -2073.130
where: short stacking energy: -840.778
Base-Backbone interact. energy: -5.538
local terms energy: -880.377554
where:
bonds (distance) C4'-P energy: -163.025
bonds (distance) P-C4' energy: -155.148
flat angles C4'-P-C4' energy: -190.242
flat angles P-C4'-P energy: -127.054
tors. eta vs tors. theta energy: -244.908
Dist. restrs. and SS energy: 1.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2797.626564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.626564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.659140 (E_RNA)
where:
Base-Base interactions energy: -1898.140
where: short stacking energy: -810.799
Base-Backbone interact. energy: -5.540
local terms energy: -895.979429
where:
bonds (distance) C4'-P energy: -165.405
bonds (distance) P-C4' energy: -165.406
flat angles C4'-P-C4' energy: -190.822
flat angles P-C4'-P energy: -131.921
tors. eta vs tors. theta energy: -242.426
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: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2662.096660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.096660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.068684 (E_RNA)
where:
Base-Base interactions energy: -1820.576
where: short stacking energy: -778.839
Base-Backbone interact. energy: -7.887
local terms energy: -836.605961
where:
bonds (distance) C4'-P energy: -148.031
bonds (distance) P-C4' energy: -154.449
flat angles C4'-P-C4' energy: -177.114
flat angles P-C4'-P energy: -117.609
tors. eta vs tors. theta energy: -239.402
Dist. restrs. and SS energy: 2.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2543.567073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.567073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.592917 (E_RNA)
where:
Base-Base interactions energy: -1799.547
where: short stacking energy: -759.780
Base-Backbone interact. energy: 0.229
local terms energy: -747.275369
where:
bonds (distance) C4'-P energy: -135.506
bonds (distance) P-C4' energy: -147.666
flat angles C4'-P-C4' energy: -159.246
flat angles P-C4'-P energy: -97.782
tors. eta vs tors. theta energy: -207.076
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2357.044023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.044023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.715664 (E_RNA)
where:
Base-Base interactions energy: -1613.526
where: short stacking energy: -673.215
Base-Backbone interact. energy: -2.805
local terms energy: -742.385117
where:
bonds (distance) C4'-P energy: -136.891
bonds (distance) P-C4' energy: -125.582
flat angles C4'-P-C4' energy: -171.386
flat angles P-C4'-P energy: -110.613
tors. eta vs tors. theta energy: -197.912
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: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2305.777247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.777247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.886408 (E_RNA)
where:
Base-Base interactions energy: -1566.795
where: short stacking energy: -656.409
Base-Backbone interact. energy: -2.056
local terms energy: -740.035160
where:
bonds (distance) C4'-P energy: -152.047
bonds (distance) P-C4' energy: -137.802
flat angles C4'-P-C4' energy: -160.528
flat angles P-C4'-P energy: -94.256
tors. eta vs tors. theta energy: -195.402
Dist. restrs. and SS energy: 3.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2175.183213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.183213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.963485 (E_RNA)
where:
Base-Base interactions energy: -1506.268
where: short stacking energy: -620.972
Base-Backbone interact. energy: -4.951
local terms energy: -669.745149
where:
bonds (distance) C4'-P energy: -145.514
bonds (distance) P-C4' energy: -129.825
flat angles C4'-P-C4' energy: -155.998
flat angles P-C4'-P energy: -70.505
tors. eta vs tors. theta energy: -167.903
Dist. restrs. and SS energy: 5.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2037.245662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.245662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.700887 (E_RNA)
where:
Base-Base interactions energy: -1390.960
where: short stacking energy: -557.539
Base-Backbone interact. energy: -3.628
local terms energy: -645.113133
where:
bonds (distance) C4'-P energy: -140.903
bonds (distance) P-C4' energy: -129.349
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -82.825
tors. eta vs tors. theta energy: -139.937
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1956.749095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.749095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.036724 (E_RNA)
where:
Base-Base interactions energy: -1313.590
where: short stacking energy: -548.259
Base-Backbone interact. energy: -1.287
local terms energy: -645.160284
where:
bonds (distance) C4'-P energy: -111.108
bonds (distance) P-C4' energy: -137.176
flat angles C4'-P-C4' energy: -152.924
flat angles P-C4'-P energy: -101.199
tors. eta vs tors. theta energy: -142.753
Dist. restrs. and SS energy: 3.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -1892.290835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.290835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.744403 (E_RNA)
where:
Base-Base interactions energy: -1308.410
where: short stacking energy: -551.527
Base-Backbone interact. energy: 4.430
local terms energy: -590.764730
where:
bonds (distance) C4'-P energy: -114.391
bonds (distance) P-C4' energy: -136.305
flat angles C4'-P-C4' energy: -119.186
flat angles P-C4'-P energy: -81.627
tors. eta vs tors. theta energy: -139.255
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2911.671751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.671751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.339939 (E_RNA)
where:
Base-Base interactions energy: -2058.613
where: short stacking energy: -813.142
Base-Backbone interact. energy: 1.141
local terms energy: -855.868612
where:
bonds (distance) C4'-P energy: -168.683
bonds (distance) P-C4' energy: -158.844
flat angles C4'-P-C4' energy: -173.921
flat angles P-C4'-P energy: -114.843
tors. eta vs tors. theta energy: -239.577
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: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2757.707887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.707887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.355203 (E_RNA)
where:
Base-Base interactions energy: -1914.753
where: short stacking energy: -829.665
Base-Backbone interact. energy: 7.064
local terms energy: -851.666012
where:
bonds (distance) C4'-P energy: -151.992
bonds (distance) P-C4' energy: -162.206
flat angles C4'-P-C4' energy: -185.706
flat angles P-C4'-P energy: -117.406
tors. eta vs tors. theta energy: -234.357
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: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2628.536886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.536886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.461766 (E_RNA)
where:
Base-Base interactions energy: -1797.039
where: short stacking energy: -764.564
Base-Backbone interact. energy: -0.562
local terms energy: -833.860755
where:
bonds (distance) C4'-P energy: -161.021
bonds (distance) P-C4' energy: -148.116
flat angles C4'-P-C4' energy: -172.406
flat angles P-C4'-P energy: -128.156
tors. eta vs tors. theta energy: -224.162
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: 4, replica: 7
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2585.106810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.106810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.901375 (E_RNA)
where:
Base-Base interactions energy: -1805.828
where: short stacking energy: -762.939
Base-Backbone interact. energy: 6.621
local terms energy: -788.694156
where:
bonds (distance) C4'-P energy: -136.366
bonds (distance) P-C4' energy: -144.425
flat angles C4'-P-C4' energy: -177.778
flat angles P-C4'-P energy: -118.059
tors. eta vs tors. theta energy: -212.066
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2349.480775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.480775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.523200 (E_RNA)
where:
Base-Base interactions energy: -1601.835
where: short stacking energy: -691.226
Base-Backbone interact. energy: 6.218
local terms energy: -755.906463
where:
bonds (distance) C4'-P energy: -135.942
bonds (distance) P-C4' energy: -145.666
flat angles C4'-P-C4' energy: -160.895
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -206.137
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2274.833905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.833905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.888232 (E_RNA)
where:
Base-Base interactions energy: -1559.176
where: short stacking energy: -661.956
Base-Backbone interact. energy: 2.023
local terms energy: -719.734975
where:
bonds (distance) C4'-P energy: -134.548
bonds (distance) P-C4' energy: -138.869
flat angles C4'-P-C4' energy: -156.381
flat angles P-C4'-P energy: -107.868
tors. eta vs tors. theta energy: -182.069
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: 316
Temperature: 1.200000
Total energy: -2139.522634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.522634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.249442 (E_RNA)
where:
Base-Base interactions energy: -1471.756
where: short stacking energy: -640.406
Base-Backbone interact. energy: -0.046
local terms energy: -670.447751
where:
bonds (distance) C4'-P energy: -140.466
bonds (distance) P-C4' energy: -121.716
flat angles C4'-P-C4' energy: -160.038
flat angles P-C4'-P energy: -90.877
tors. eta vs tors. theta energy: -157.351
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2050.039638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.039638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.946798 (E_RNA)
where:
Base-Base interactions energy: -1350.578
where: short stacking energy: -563.698
Base-Backbone interact. energy: -2.272
local terms energy: -701.097447
where:
bonds (distance) C4'-P energy: -134.841
bonds (distance) P-C4' energy: -144.217
flat angles C4'-P-C4' energy: -158.127
flat angles P-C4'-P energy: -98.024
tors. eta vs tors. theta energy: -165.889
Dist. restrs. and SS energy: 3.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1908.229785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.229785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.807774 (E_RNA)
where:
Base-Base interactions energy: -1290.196
where: short stacking energy: -529.718
Base-Backbone interact. energy: 0.047
local terms energy: -620.658766
where:
bonds (distance) C4'-P energy: -123.235
bonds (distance) P-C4' energy: -141.011
flat angles C4'-P-C4' energy: -119.277
flat angles P-C4'-P energy: -101.462
tors. eta vs tors. theta energy: -135.673
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -1931.950070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.950070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.411440 (E_RNA)
where:
Base-Base interactions energy: -1288.268
where: short stacking energy: -548.148
Base-Backbone interact. energy: -1.788
local terms energy: -645.355159
where:
bonds (distance) C4'-P energy: -134.016
bonds (distance) P-C4' energy: -134.216
flat angles C4'-P-C4' energy: -140.370
flat angles P-C4'-P energy: -86.719
tors. eta vs tors. theta energy: -150.034
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: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2914.324935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.324935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.714918 (E_RNA)
where:
Base-Base interactions energy: -2047.304
where: short stacking energy: -832.115
Base-Backbone interact. energy: -2.567
local terms energy: -865.843741
where:
bonds (distance) C4'-P energy: -158.966
bonds (distance) P-C4' energy: -157.838
flat angles C4'-P-C4' energy: -181.342
flat angles P-C4'-P energy: -130.736
tors. eta vs tors. theta energy: -236.963
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2756.299376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.299376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.266784 (E_RNA)
where:
Base-Base interactions energy: -1876.576
where: short stacking energy: -790.626
Base-Backbone interact. energy: -1.205
local terms energy: -880.486054
where:
bonds (distance) C4'-P energy: -168.748
bonds (distance) P-C4' energy: -171.363
flat angles C4'-P-C4' energy: -190.007
flat angles P-C4'-P energy: -120.645
tors. eta vs tors. theta energy: -229.723
Dist. restrs. and SS energy: 1.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2609.238355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.238355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.817069 (E_RNA)
where:
Base-Base interactions energy: -1789.017
where: short stacking energy: -761.440
Base-Backbone interact. energy: -1.915
local terms energy: -823.884278
where:
bonds (distance) C4'-P energy: -152.605
bonds (distance) P-C4' energy: -152.737
flat angles C4'-P-C4' energy: -176.361
flat angles P-C4'-P energy: -112.119
tors. eta vs tors. theta energy: -230.063
Dist. restrs. and SS energy: 5.579 (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: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2624.307063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.307063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.932926 (E_RNA)
where:
Base-Base interactions energy: -1804.047
where: short stacking energy: -756.534
Base-Backbone interact. energy: -0.680
local terms energy: -822.205825
where:
bonds (distance) C4'-P energy: -160.166
bonds (distance) P-C4' energy: -144.047
flat angles C4'-P-C4' energy: -172.460
flat angles P-C4'-P energy: -112.732
tors. eta vs tors. theta energy: -232.801
Dist. restrs. and SS energy: 2.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2360.892195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.892195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.447903 (E_RNA)
where:
Base-Base interactions energy: -1593.277
where: short stacking energy: -677.984
Base-Backbone interact. energy: -0.896
local terms energy: -768.275224
where:
bonds (distance) C4'-P energy: -148.006
bonds (distance) P-C4' energy: -144.633
flat angles C4'-P-C4' energy: -171.021
flat angles P-C4'-P energy: -107.795
tors. eta vs tors. theta energy: -196.819
Dist. restrs. and SS energy: 1.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2253.746828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.746828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.466579 (E_RNA)
where:
Base-Base interactions energy: -1542.994
where: short stacking energy: -681.024
Base-Backbone interact. energy: 3.638
local terms energy: -718.111311
where:
bonds (distance) C4'-P energy: -129.993
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -168.844
flat angles P-C4'-P energy: -90.350
tors. eta vs tors. theta energy: -192.820
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: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2154.181111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.181111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.015487 (E_RNA)
where:
Base-Base interactions energy: -1470.363
where: short stacking energy: -608.494
Base-Backbone interact. energy: -0.711
local terms energy: -684.941411
where:
bonds (distance) C4'-P energy: -133.126
bonds (distance) P-C4' energy: -141.624
flat angles C4'-P-C4' energy: -155.452
flat angles P-C4'-P energy: -88.198
tors. eta vs tors. theta energy: -166.541
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: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2048.566706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.566706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.888263 (E_RNA)
where:
Base-Base interactions energy: -1374.620
where: short stacking energy: -561.877
Base-Backbone interact. energy: -2.343
local terms energy: -674.925476
where:
bonds (distance) C4'-P energy: -128.613
bonds (distance) P-C4' energy: -150.473
flat angles C4'-P-C4' energy: -134.252
flat angles P-C4'-P energy: -103.183
tors. eta vs tors. theta energy: -158.405
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: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1964.878717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.878717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.518013 (E_RNA)
where:
Base-Base interactions energy: -1328.037
where: short stacking energy: -568.822
Base-Backbone interact. energy: 0.025
local terms energy: -639.506014
where:
bonds (distance) C4'-P energy: -141.823
bonds (distance) P-C4' energy: -122.175
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -94.221
tors. eta vs tors. theta energy: -139.994
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: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1941.283125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.283125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.954699 (E_RNA)
where:
Base-Base interactions energy: -1341.270
where: short stacking energy: -565.304
Base-Backbone interact. energy: 3.568
local terms energy: -607.252993
where:
bonds (distance) C4'-P energy: -125.707
bonds (distance) P-C4' energy: -128.863
flat angles C4'-P-C4' energy: -128.336
flat angles P-C4'-P energy: -81.067
tors. eta vs tors. theta energy: -143.279
Dist. restrs. and SS energy: 3.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2910.302556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.302556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.872370 (E_RNA)
where:
Base-Base interactions energy: -2053.134
where: short stacking energy: -854.349
Base-Backbone interact. energy: -4.928
local terms energy: -853.810374
where:
bonds (distance) C4'-P energy: -148.207
bonds (distance) P-C4' energy: -155.540
flat angles C4'-P-C4' energy: -178.775
flat angles P-C4'-P energy: -124.988
tors. eta vs tors. theta energy: -246.300
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2757.716571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.716571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.508687 (E_RNA)
where:
Base-Base interactions energy: -1922.189
where: short stacking energy: -819.955
Base-Backbone interact. energy: -3.289
local terms energy: -833.030567
where:
bonds (distance) C4'-P energy: -149.791
bonds (distance) P-C4' energy: -151.356
flat angles C4'-P-C4' energy: -170.088
flat angles P-C4'-P energy: -121.570
tors. eta vs tors. theta energy: -240.226
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2661.583213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.583213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.270141 (E_RNA)
where:
Base-Base interactions energy: -1855.027
where: short stacking energy: -780.525
Base-Backbone interact. energy: 0.779
local terms energy: -810.021610
where:
bonds (distance) C4'-P energy: -155.043
bonds (distance) P-C4' energy: -147.093
flat angles C4'-P-C4' energy: -174.086
flat angles P-C4'-P energy: -120.432
tors. eta vs tors. theta energy: -213.367
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: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2577.020084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.020084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.406410 (E_RNA)
where:
Base-Base interactions energy: -1772.335
where: short stacking energy: -742.517
Base-Backbone interact. energy: -1.183
local terms energy: -804.888334
where:
bonds (distance) C4'-P energy: -135.025
bonds (distance) P-C4' energy: -163.936
flat angles C4'-P-C4' energy: -182.682
flat angles P-C4'-P energy: -122.445
tors. eta vs tors. theta energy: -200.801
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2351.994334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.994334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.502209 (E_RNA)
where:
Base-Base interactions energy: -1597.375
where: short stacking energy: -671.557
Base-Backbone interact. energy: -0.425
local terms energy: -755.702358
where:
bonds (distance) C4'-P energy: -144.716
bonds (distance) P-C4' energy: -157.052
flat angles C4'-P-C4' energy: -171.108
flat angles P-C4'-P energy: -98.059
tors. eta vs tors. theta energy: -184.767
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: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2323.581538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.894164 (E_RNA)
where:
Base-Base interactions energy: -1583.389
where: short stacking energy: -689.935
Base-Backbone interact. energy: -0.922
local terms energy: -741.582867
where:
bonds (distance) C4'-P energy: -129.653
bonds (distance) P-C4' energy: -153.946
flat angles C4'-P-C4' energy: -159.574
flat angles P-C4'-P energy: -100.895
tors. eta vs tors. theta energy: -197.515
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -2153.792874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.792874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.927450 (E_RNA)
where:
Base-Base interactions energy: -1475.993
where: short stacking energy: -628.453
Base-Backbone interact. energy: -0.131
local terms energy: -681.803116
where:
bonds (distance) C4'-P energy: -145.635
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -158.405
flat angles P-C4'-P energy: -91.336
tors. eta vs tors. theta energy: -155.396
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: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2011.258188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.258188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.646487 (E_RNA)
where:
Base-Base interactions energy: -1376.089
where: short stacking energy: -589.062
Base-Backbone interact. energy: -2.317
local terms energy: -635.240584
where:
bonds (distance) C4'-P energy: -119.005
bonds (distance) P-C4' energy: -125.345
flat angles C4'-P-C4' energy: -149.891
flat angles P-C4'-P energy: -70.022
tors. eta vs tors. theta energy: -170.977
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: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1933.499471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.499471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.634491 (E_RNA)
where:
Base-Base interactions energy: -1322.414
where: short stacking energy: -560.023
Base-Backbone interact. energy: 2.716
local terms energy: -615.936660
where:
bonds (distance) C4'-P energy: -119.351
bonds (distance) P-C4' energy: -120.331
flat angles C4'-P-C4' energy: -146.196
flat angles P-C4'-P energy: -78.954
tors. eta vs tors. theta energy: -151.104
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: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1842.255965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.255965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.618294 (E_RNA)
where:
Base-Base interactions energy: -1258.056
where: short stacking energy: -551.822
Base-Backbone interact. energy: 0.193
local terms energy: -590.755412
where:
bonds (distance) C4'-P energy: -113.038
bonds (distance) P-C4' energy: -124.802
flat angles C4'-P-C4' energy: -147.843
flat angles P-C4'-P energy: -68.472
tors. eta vs tors. theta energy: -136.600
Dist. restrs. and SS energy: 6.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2934.728046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.728046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.550187 (E_RNA)
where:
Base-Base interactions energy: -2060.612
where: short stacking energy: -845.408
Base-Backbone interact. energy: -0.916
local terms energy: -874.022384
where:
bonds (distance) C4'-P energy: -149.610
bonds (distance) P-C4' energy: -162.222
flat angles C4'-P-C4' energy: -179.968
flat angles P-C4'-P energy: -133.342
tors. eta vs tors. theta energy: -248.881
Dist. restrs. and SS energy: 0.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2777.332306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.332306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.222520 (E_RNA)
where:
Base-Base interactions energy: -1877.844
where: short stacking energy: -784.694
Base-Backbone interact. energy: -3.980
local terms energy: -898.398559
where:
bonds (distance) C4'-P energy: -168.269
bonds (distance) P-C4' energy: -168.447
flat angles C4'-P-C4' energy: -191.427
flat angles P-C4'-P energy: -118.995
tors. eta vs tors. theta energy: -251.261
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: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2685.252596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.252596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.190261 (E_RNA)
where:
Base-Base interactions energy: -1865.178
where: short stacking energy: -782.244
Base-Backbone interact. energy: -2.074
local terms energy: -821.938267
where:
bonds (distance) C4'-P energy: -141.934
bonds (distance) P-C4' energy: -147.232
flat angles C4'-P-C4' energy: -176.871
flat angles P-C4'-P energy: -120.160
tors. eta vs tors. theta energy: -235.741
Dist. restrs. and SS energy: 3.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2574.482721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.482721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.913017 (E_RNA)
where:
Base-Base interactions energy: -1792.755
where: short stacking energy: -776.303
Base-Backbone interact. energy: -0.357
local terms energy: -783.800919
where:
bonds (distance) C4'-P energy: -128.149
bonds (distance) P-C4' energy: -136.010
flat angles C4'-P-C4' energy: -186.266
flat angles P-C4'-P energy: -106.796
tors. eta vs tors. theta energy: -226.580
Dist. restrs. and SS energy: 2.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2342.544626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.544626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.118485 (E_RNA)
where:
Base-Base interactions energy: -1596.185
where: short stacking energy: -689.784
Base-Backbone interact. energy: -0.978
local terms energy: -748.955634
where:
bonds (distance) C4'-P energy: -126.414
bonds (distance) P-C4' energy: -149.492
flat angles C4'-P-C4' energy: -159.551
flat angles P-C4'-P energy: -118.726
tors. eta vs tors. theta energy: -194.774
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: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2283.291486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.291486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.144494 (E_RNA)
where:
Base-Base interactions energy: -1535.338
where: short stacking energy: -650.427
Base-Backbone interact. energy: 4.156
local terms energy: -753.962343
where:
bonds (distance) C4'-P energy: -154.256
bonds (distance) P-C4' energy: -145.174
flat angles C4'-P-C4' energy: -160.074
flat angles P-C4'-P energy: -112.836
tors. eta vs tors. theta energy: -181.621
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2165.346814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.346814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.399555 (E_RNA)
where:
Base-Base interactions energy: -1469.974
where: short stacking energy: -630.601
Base-Backbone interact. energy: -2.235
local terms energy: -697.190398
where:
bonds (distance) C4'-P energy: -127.330
bonds (distance) P-C4' energy: -112.791
flat angles C4'-P-C4' energy: -162.399
flat angles P-C4'-P energy: -120.519
tors. eta vs tors. theta energy: -174.152
Dist. restrs. and SS energy: 4.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2042.285203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.285203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.088168 (E_RNA)
where:
Base-Base interactions energy: -1382.472
where: short stacking energy: -591.882
Base-Backbone interact. energy: -3.134
local terms energy: -659.481613
where:
bonds (distance) C4'-P energy: -134.306
bonds (distance) P-C4' energy: -125.378
flat angles C4'-P-C4' energy: -153.013
flat angles P-C4'-P energy: -94.482
tors. eta vs tors. theta energy: -152.303
Dist. restrs. and SS energy: 2.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1887.018014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.018014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.742180 (E_RNA)
where:
Base-Base interactions energy: -1259.751
where: short stacking energy: -500.285
Base-Backbone interact. energy: -0.188
local terms energy: -628.803550
where:
bonds (distance) C4'-P energy: -133.936
bonds (distance) P-C4' energy: -118.296
flat angles C4'-P-C4' energy: -142.699
flat angles P-C4'-P energy: -107.750
tors. eta vs tors. theta energy: -126.123
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1848.977431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.977431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.536515 (E_RNA)
where:
Base-Base interactions energy: -1308.083
where: short stacking energy: -524.338
Base-Backbone interact. energy: -1.526
local terms energy: -541.927611
where:
bonds (distance) C4'-P energy: -114.763
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -133.067
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -136.726
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2886.962800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.962800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.049134 (E_RNA)
where:
Base-Base interactions energy: -2012.640
where: short stacking energy: -829.657
Base-Backbone interact. energy: -1.823
local terms energy: -873.586138
where:
bonds (distance) C4'-P energy: -152.611
bonds (distance) P-C4' energy: -168.891
flat angles C4'-P-C4' energy: -185.891
flat angles P-C4'-P energy: -129.134
tors. eta vs tors. theta energy: -237.059
Dist. restrs. and SS energy: 1.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2766.116138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.116138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.504625 (E_RNA)
where:
Base-Base interactions energy: -1901.047
where: short stacking energy: -808.007
Base-Backbone interact. energy: -2.214
local terms energy: -865.242717
where:
bonds (distance) C4'-P energy: -153.113
bonds (distance) P-C4' energy: -147.005
flat angles C4'-P-C4' energy: -186.294
flat angles P-C4'-P energy: -132.344
tors. eta vs tors. theta energy: -246.487
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: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2699.142078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.142078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.997158 (E_RNA)
where:
Base-Base interactions energy: -1854.382
where: short stacking energy: -772.987
Base-Backbone interact. energy: -2.713
local terms energy: -843.902825
where:
bonds (distance) C4'-P energy: -156.199
bonds (distance) P-C4' energy: -164.336
flat angles C4'-P-C4' energy: -187.062
flat angles P-C4'-P energy: -110.703
tors. eta vs tors. theta energy: -225.602
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: 320
Temperature: 1.050000
Total energy: -2570.072130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.072130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.177287 (E_RNA)
where:
Base-Base interactions energy: -1771.477
where: short stacking energy: -728.418
Base-Backbone interact. energy: 0.684
local terms energy: -800.383492
where:
bonds (distance) C4'-P energy: -138.843
bonds (distance) P-C4' energy: -161.106
flat angles C4'-P-C4' energy: -176.718
flat angles P-C4'-P energy: -110.151
tors. eta vs tors. theta energy: -213.565
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: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2339.566912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.566912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.840758 (E_RNA)
where:
Base-Base interactions energy: -1572.197
where: short stacking energy: -697.344
Base-Backbone interact. energy: -4.131
local terms energy: -765.512717
where:
bonds (distance) C4'-P energy: -142.533
bonds (distance) P-C4' energy: -150.851
flat angles C4'-P-C4' energy: -167.924
flat angles P-C4'-P energy: -94.259
tors. eta vs tors. theta energy: -209.946
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2224.381599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.381599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.178563 (E_RNA)
where:
Base-Base interactions energy: -1532.602
where: short stacking energy: -648.260
Base-Backbone interact. energy: -1.476
local terms energy: -692.100821
where:
bonds (distance) C4'-P energy: -126.654
bonds (distance) P-C4' energy: -136.833
flat angles C4'-P-C4' energy: -153.139
flat angles P-C4'-P energy: -110.602
tors. eta vs tors. theta energy: -164.873
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: 7, replica: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -2183.152173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.152173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.041969 (E_RNA)
where:
Base-Base interactions energy: -1500.216
where: short stacking energy: -643.752
Base-Backbone interact. energy: -0.976
local terms energy: -684.849584
where:
bonds (distance) C4'-P energy: -120.562
bonds (distance) P-C4' energy: -135.485
flat angles C4'-P-C4' energy: -150.715
flat angles P-C4'-P energy: -100.279
tors. eta vs tors. theta energy: -177.808
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2056.093284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.093284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.422950 (E_RNA)
where:
Base-Base interactions energy: -1391.913
where: short stacking energy: -594.700
Base-Backbone interact. energy: -1.245
local terms energy: -666.265078
where:
bonds (distance) C4'-P energy: -134.499
bonds (distance) P-C4' energy: -135.073
flat angles C4'-P-C4' energy: -151.056
flat angles P-C4'-P energy: -79.086
tors. eta vs tors. theta energy: -166.551
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1912.010183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.010183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.468446 (E_RNA)
where:
Base-Base interactions energy: -1279.259
where: short stacking energy: -557.811
Base-Backbone interact. energy: -0.357
local terms energy: -634.852244
where:
bonds (distance) C4'-P energy: -130.328
bonds (distance) P-C4' energy: -134.032
flat angles C4'-P-C4' energy: -127.949
flat angles P-C4'-P energy: -92.205
tors. eta vs tors. theta energy: -150.339
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: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1930.103227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.103227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.918431 (E_RNA)
where:
Base-Base interactions energy: -1310.258
where: short stacking energy: -548.398
Base-Backbone interact. energy: -0.773
local terms energy: -621.887225
where:
bonds (distance) C4'-P energy: -127.355
bonds (distance) P-C4' energy: -109.792
flat angles C4'-P-C4' energy: -158.980
flat angles P-C4'-P energy: -83.846
tors. eta vs tors. theta energy: -141.914
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: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2914.341424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.341424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.525854 (E_RNA)
where:
Base-Base interactions energy: -2064.406
where: short stacking energy: -838.863
Base-Backbone interact. energy: -3.984
local terms energy: -847.136659
where:
bonds (distance) C4'-P energy: -144.660
bonds (distance) P-C4' energy: -158.113
flat angles C4'-P-C4' energy: -187.504
flat angles P-C4'-P energy: -110.939
tors. eta vs tors. theta energy: -245.921
Dist. restrs. and SS energy: 1.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2755.054306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.054306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.444233 (E_RNA)
where:
Base-Base interactions energy: -1891.501
where: short stacking energy: -799.796
Base-Backbone interact. energy: -3.856
local terms energy: -862.087792
where:
bonds (distance) C4'-P energy: -150.045
bonds (distance) P-C4' energy: -164.137
flat angles C4'-P-C4' energy: -175.331
flat angles P-C4'-P energy: -127.460
tors. eta vs tors. theta energy: -245.115
Dist. restrs. and SS energy: 2.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2684.080010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.080010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.286159 (E_RNA)
where:
Base-Base interactions energy: -1853.111
where: short stacking energy: -776.065
Base-Backbone interact. energy: -1.617
local terms energy: -832.557797
where:
bonds (distance) C4'-P energy: -162.759
bonds (distance) P-C4' energy: -145.305
flat angles C4'-P-C4' energy: -176.033
flat angles P-C4'-P energy: -117.687
tors. eta vs tors. theta energy: -230.774
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: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2530.674340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.674340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.236215 (E_RNA)
where:
Base-Base interactions energy: -1710.228
where: short stacking energy: -728.617
Base-Backbone interact. energy: 0.243
local terms energy: -822.250708
where:
bonds (distance) C4'-P energy: -163.832
bonds (distance) P-C4' energy: -153.832
flat angles C4'-P-C4' energy: -172.657
flat angles P-C4'-P energy: -122.130
tors. eta vs tors. theta energy: -209.799
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: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2311.752965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.752965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.290806 (E_RNA)
where:
Base-Base interactions energy: -1559.527
where: short stacking energy: -696.896
Base-Backbone interact. energy: 4.662
local terms energy: -759.426339
where:
bonds (distance) C4'-P energy: -135.057
bonds (distance) P-C4' energy: -146.228
flat angles C4'-P-C4' energy: -164.089
flat angles P-C4'-P energy: -106.350
tors. eta vs tors. theta energy: -207.703
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: 6, replica: 5
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2226.995241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.995241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.136659 (E_RNA)
where:
Base-Base interactions energy: -1514.074
where: short stacking energy: -659.446
Base-Backbone interact. energy: 0.349
local terms energy: -716.411772
where:
bonds (distance) C4'-P energy: -140.367
bonds (distance) P-C4' energy: -134.007
flat angles C4'-P-C4' energy: -158.042
flat angles P-C4'-P energy: -100.274
tors. eta vs tors. theta energy: -183.723
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2158.802088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.802088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.154447 (E_RNA)
where:
Base-Base interactions energy: -1482.176
where: short stacking energy: -627.502
Base-Backbone interact. energy: 0.213
local terms energy: -679.191324
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -135.501
flat angles C4'-P-C4' energy: -151.709
flat angles P-C4'-P energy: -92.227
tors. eta vs tors. theta energy: -164.659
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2031.602138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.602138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.768562 (E_RNA)
where:
Base-Base interactions energy: -1376.731
where: short stacking energy: -588.040
Base-Backbone interact. energy: 0.852
local terms energy: -657.889530
where:
bonds (distance) C4'-P energy: -126.123
bonds (distance) P-C4' energy: -137.575
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -94.214
tors. eta vs tors. theta energy: -159.590
Dist. restrs. and SS energy: 2.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1935.061712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.061712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.450779 (E_RNA)
where:
Base-Base interactions energy: -1297.700
where: short stacking energy: -566.309
Base-Backbone interact. energy: -1.570
local terms energy: -639.180743
where:
bonds (distance) C4'-P energy: -129.931
bonds (distance) P-C4' energy: -131.072
flat angles C4'-P-C4' energy: -147.349
flat angles P-C4'-P energy: -87.977
tors. eta vs tors. theta energy: -142.851
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: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1848.901736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.901736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.691749 (E_RNA)
where:
Base-Base interactions energy: -1246.426
where: short stacking energy: -523.573
Base-Backbone interact. energy: 3.048
local terms energy: -608.314051
where:
bonds (distance) C4'-P energy: -139.374
bonds (distance) P-C4' energy: -133.378
flat angles C4'-P-C4' energy: -124.719
flat angles P-C4'-P energy: -76.538
tors. eta vs tors. theta energy: -134.305
Dist. restrs. and SS energy: 2.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2935.931409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.931409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.888028 (E_RNA)
where:
Base-Base interactions energy: -2082.225
where: short stacking energy: -866.150
Base-Backbone interact. energy: -3.599
local terms energy: -851.063433
where:
bonds (distance) C4'-P energy: -151.359
bonds (distance) P-C4' energy: -154.089
flat angles C4'-P-C4' energy: -174.208
flat angles P-C4'-P energy: -119.901
tors. eta vs tors. theta energy: -251.507
Dist. restrs. and SS energy: 0.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2741.276316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.276316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.398719 (E_RNA)
where:
Base-Base interactions energy: -1908.963
where: short stacking energy: -770.374
Base-Backbone interact. energy: -1.190
local terms energy: -833.246090
where:
bonds (distance) C4'-P energy: -139.443
bonds (distance) P-C4' energy: -154.809
flat angles C4'-P-C4' energy: -188.751
flat angles P-C4'-P energy: -114.197
tors. eta vs tors. theta energy: -236.045
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: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2685.076915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.076915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.051651 (E_RNA)
where:
Base-Base interactions energy: -1889.090
where: short stacking energy: -781.197
Base-Backbone interact. energy: -2.867
local terms energy: -797.095542
where:
bonds (distance) C4'-P energy: -138.720
bonds (distance) P-C4' energy: -150.251
flat angles C4'-P-C4' energy: -169.683
flat angles P-C4'-P energy: -117.701
tors. eta vs tors. theta energy: -220.739
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2577.333936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.333936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.436868 (E_RNA)
where:
Base-Base interactions energy: -1762.407
where: short stacking energy: -749.169
Base-Backbone interact. energy: -0.275
local terms energy: -815.754191
where:
bonds (distance) C4'-P energy: -148.244
bonds (distance) P-C4' energy: -150.441
flat angles C4'-P-C4' energy: -187.402
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -223.410
Dist. restrs. and SS energy: 1.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2360.112298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.112298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.495759 (E_RNA)
where:
Base-Base interactions energy: -1619.075
where: short stacking energy: -685.490
Base-Backbone interact. energy: 0.662
local terms energy: -744.083284
where:
bonds (distance) C4'-P energy: -135.682
bonds (distance) P-C4' energy: -133.978
flat angles C4'-P-C4' energy: -158.308
flat angles P-C4'-P energy: -108.674
tors. eta vs tors. theta energy: -207.441
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: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2275.571466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.571466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.284967 (E_RNA)
where:
Base-Base interactions energy: -1557.344
where: short stacking energy: -659.889
Base-Backbone interact. energy: 1.426
local terms energy: -721.366562
where:
bonds (distance) C4'-P energy: -122.373
bonds (distance) P-C4' energy: -148.108
flat angles C4'-P-C4' energy: -172.776
flat angles P-C4'-P energy: -88.326
tors. eta vs tors. theta energy: -189.784
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2152.743492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.743492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.154510 (E_RNA)
where:
Base-Base interactions energy: -1483.561
where: short stacking energy: -644.019
Base-Backbone interact. energy: 0.618
local terms energy: -672.211948
where:
bonds (distance) C4'-P energy: -122.359
bonds (distance) P-C4' energy: -129.290
flat angles C4'-P-C4' energy: -161.681
flat angles P-C4'-P energy: -90.445
tors. eta vs tors. theta energy: -168.438
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2068.402144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.402144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.816318 (E_RNA)
where:
Base-Base interactions energy: -1364.723
where: short stacking energy: -570.551
Base-Backbone interact. energy: -4.066
local terms energy: -703.027365
where:
bonds (distance) C4'-P energy: -139.753
bonds (distance) P-C4' energy: -140.048
flat angles C4'-P-C4' energy: -169.604
flat angles P-C4'-P energy: -101.104
tors. eta vs tors. theta energy: -152.518
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: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1918.041067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.041067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.968408 (E_RNA)
where:
Base-Base interactions energy: -1300.600
where: short stacking energy: -528.704
Base-Backbone interact. energy: -1.777
local terms energy: -617.591571
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -148.059
flat angles C4'-P-C4' energy: -136.432
flat angles P-C4'-P energy: -79.007
tors. eta vs tors. theta energy: -119.086
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: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1888.889592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.889592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.719849 (E_RNA)
where:
Base-Base interactions energy: -1285.651
where: short stacking energy: -529.775
Base-Backbone interact. energy: 6.133
local terms energy: -611.202039
where:
bonds (distance) C4'-P energy: -122.451
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -138.875
flat angles P-C4'-P energy: -91.322
tors. eta vs tors. theta energy: -146.981
Dist. restrs. and SS energy: 1.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2949.897223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.897223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.535360 (E_RNA)
where:
Base-Base interactions energy: -2048.692
where: short stacking energy: -830.926
Base-Backbone interact. energy: -3.044
local terms energy: -899.799246
where:
bonds (distance) C4'-P energy: -178.336
bonds (distance) P-C4' energy: -160.161
flat angles C4'-P-C4' energy: -186.536
flat angles P-C4'-P energy: -129.786
tors. eta vs tors. theta energy: -244.979
Dist. restrs. and SS energy: 1.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2786.452987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.452987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.348442 (E_RNA)
where:
Base-Base interactions energy: -1900.508
where: short stacking energy: -798.504
Base-Backbone interact. energy: -3.211
local terms energy: -884.629335
where:
bonds (distance) C4'-P energy: -151.995
bonds (distance) P-C4' energy: -164.351
flat angles C4'-P-C4' energy: -191.421
flat angles P-C4'-P energy: -137.230
tors. eta vs tors. theta energy: -239.632
Dist. restrs. and SS energy: 1.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2716.488737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.488737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.462249 (E_RNA)
where:
Base-Base interactions energy: -1904.135
where: short stacking energy: -807.063
Base-Backbone interact. energy: 0.803
local terms energy: -815.130614
where:
bonds (distance) C4'-P energy: -144.665
bonds (distance) P-C4' energy: -151.999
flat angles C4'-P-C4' energy: -181.795
flat angles P-C4'-P energy: -100.389
tors. eta vs tors. theta energy: -236.283
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: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2568.017698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.017698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.735516 (E_RNA)
where:
Base-Base interactions energy: -1762.733
where: short stacking energy: -760.965
Base-Backbone interact. energy: -3.998
local terms energy: -803.004334
where:
bonds (distance) C4'-P energy: -153.262
bonds (distance) P-C4' energy: -124.165
flat angles C4'-P-C4' energy: -183.553
flat angles P-C4'-P energy: -108.519
tors. eta vs tors. theta energy: -233.504
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: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2378.784714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.784714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.765590 (E_RNA)
where:
Base-Base interactions energy: -1584.644
where: short stacking energy: -714.082
Base-Backbone interact. energy: -2.062
local terms energy: -795.059504
where:
bonds (distance) C4'-P energy: -154.979
bonds (distance) P-C4' energy: -144.929
flat angles C4'-P-C4' energy: -165.126
flat angles P-C4'-P energy: -115.573
tors. eta vs tors. theta energy: -214.453
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: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2305.173605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.173605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.089666 (E_RNA)
where:
Base-Base interactions energy: -1553.638
where: short stacking energy: -669.930
Base-Backbone interact. energy: -0.030
local terms energy: -753.421460
where:
bonds (distance) C4'-P energy: -134.957
bonds (distance) P-C4' energy: -160.518
flat angles C4'-P-C4' energy: -167.255
flat angles P-C4'-P energy: -90.031
tors. eta vs tors. theta energy: -200.661
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2184.490029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.490029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.097272 (E_RNA)
where:
Base-Base interactions energy: -1507.793
where: short stacking energy: -633.837
Base-Backbone interact. energy: -0.479
local terms energy: -677.825714
where:
bonds (distance) C4'-P energy: -136.245
bonds (distance) P-C4' energy: -128.884
flat angles C4'-P-C4' energy: -139.297
flat angles P-C4'-P energy: -113.340
tors. eta vs tors. theta energy: -160.060
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: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2096.095036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.095036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.135368 (E_RNA)
where:
Base-Base interactions energy: -1423.136
where: short stacking energy: -602.236
Base-Backbone interact. energy: 4.118
local terms energy: -682.117579
where:
bonds (distance) C4'-P energy: -143.462
bonds (distance) P-C4' energy: -136.617
flat angles C4'-P-C4' energy: -152.366
flat angles P-C4'-P energy: -88.483
tors. eta vs tors. theta energy: -161.190
Dist. restrs. and SS energy: 5.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1917.004684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.004684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.665889 (E_RNA)
where:
Base-Base interactions energy: -1298.356
where: short stacking energy: -528.690
Base-Backbone interact. energy: 5.459
local terms energy: -628.768827
where:
bonds (distance) C4'-P energy: -140.626
bonds (distance) P-C4' energy: -131.872
flat angles C4'-P-C4' energy: -137.411
flat angles P-C4'-P energy: -86.427
tors. eta vs tors. theta energy: -132.433
Dist. restrs. and SS energy: 4.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1872.773480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.773480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.237134 (E_RNA)
where:
Base-Base interactions energy: -1261.663
where: short stacking energy: -527.491
Base-Backbone interact. energy: 2.818
local terms energy: -617.391377
where:
bonds (distance) C4'-P energy: -125.013
bonds (distance) P-C4' energy: -141.162
flat angles C4'-P-C4' energy: -123.530
flat angles P-C4'-P energy: -83.456
tors. eta vs tors. theta energy: -144.231
Dist. restrs. and SS energy: 3.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2933.253251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.253251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.019648 (E_RNA)
where:
Base-Base interactions energy: -2063.543
where: short stacking energy: -855.869
Base-Backbone interact. energy: -2.535
local terms energy: -868.941562
where:
bonds (distance) C4'-P energy: -163.479
bonds (distance) P-C4' energy: -165.649
flat angles C4'-P-C4' energy: -184.273
flat angles P-C4'-P energy: -111.493
tors. eta vs tors. theta energy: -244.047
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2847.493204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.493204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.542624 (E_RNA)
where:
Base-Base interactions energy: -1935.298
where: short stacking energy: -818.362
Base-Backbone interact. energy: -4.674
local terms energy: -909.570793
where:
bonds (distance) C4'-P energy: -159.971
bonds (distance) P-C4' energy: -164.645
flat angles C4'-P-C4' energy: -195.874
flat angles P-C4'-P energy: -136.065
tors. eta vs tors. theta energy: -253.016
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: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2724.875828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.875828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.731019 (E_RNA)
where:
Base-Base interactions energy: -1885.876
where: short stacking energy: -788.650
Base-Backbone interact. energy: -0.875
local terms energy: -840.979951
where:
bonds (distance) C4'-P energy: -148.041
bonds (distance) P-C4' energy: -146.303
flat angles C4'-P-C4' energy: -182.286
flat angles P-C4'-P energy: -129.861
tors. eta vs tors. theta energy: -234.489
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2564.476063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.476063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.511386 (E_RNA)
where:
Base-Base interactions energy: -1773.705
where: short stacking energy: -746.656
Base-Backbone interact. energy: -1.876
local terms energy: -789.930747
where:
bonds (distance) C4'-P energy: -139.318
bonds (distance) P-C4' energy: -145.867
flat angles C4'-P-C4' energy: -162.730
flat angles P-C4'-P energy: -120.295
tors. eta vs tors. theta energy: -221.721
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2344.916595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.916595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.081996 (E_RNA)
where:
Base-Base interactions energy: -1597.189
where: short stacking energy: -678.784
Base-Backbone interact. energy: -0.829
local terms energy: -749.064075
where:
bonds (distance) C4'-P energy: -141.896
bonds (distance) P-C4' energy: -138.660
flat angles C4'-P-C4' energy: -164.165
flat angles P-C4'-P energy: -108.800
tors. eta vs tors. theta energy: -195.542
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2252.460441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.460441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.046106 (E_RNA)
where:
Base-Base interactions energy: -1535.725
where: short stacking energy: -640.815
Base-Backbone interact. energy: 3.203
local terms energy: -723.523704
where:
bonds (distance) C4'-P energy: -148.498
bonds (distance) P-C4' energy: -142.707
flat angles C4'-P-C4' energy: -151.740
flat angles P-C4'-P energy: -94.781
tors. eta vs tors. theta energy: -185.798
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2188.424529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.424529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.474690 (E_RNA)
where:
Base-Base interactions energy: -1512.189
where: short stacking energy: -663.991
Base-Backbone interact. energy: -4.042
local terms energy: -674.244336
where:
bonds (distance) C4'-P energy: -113.283
bonds (distance) P-C4' energy: -141.845
flat angles C4'-P-C4' energy: -143.105
flat angles P-C4'-P energy: -98.150
tors. eta vs tors. theta energy: -177.861
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: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -2091.040221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.040221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.653434 (E_RNA)
where:
Base-Base interactions energy: -1412.336
where: short stacking energy: -621.887
Base-Backbone interact. energy: -1.634
local terms energy: -679.683251
where:
bonds (distance) C4'-P energy: -131.443
bonds (distance) P-C4' energy: -125.375
flat angles C4'-P-C4' energy: -158.831
flat angles P-C4'-P energy: -94.652
tors. eta vs tors. theta energy: -169.383
Dist. restrs. and SS energy: 2.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1959.614374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.614374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.973882 (E_RNA)
where:
Base-Base interactions energy: -1328.863
where: short stacking energy: -550.958
Base-Backbone interact. energy: 1.093
local terms energy: -634.203832
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -143.213
flat angles C4'-P-C4' energy: -149.407
flat angles P-C4'-P energy: -98.962
tors. eta vs tors. theta energy: -131.851
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1901.084202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.084202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.964119 (E_RNA)
where:
Base-Base interactions energy: -1278.659
where: short stacking energy: -524.097
Base-Backbone interact. energy: -1.333
local terms energy: -623.972051
where:
bonds (distance) C4'-P energy: -123.177
bonds (distance) P-C4' energy: -133.478
flat angles C4'-P-C4' energy: -142.337
flat angles P-C4'-P energy: -75.520
tors. eta vs tors. theta energy: -149.460
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2920.625246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.625246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.675748 (E_RNA)
where:
Base-Base interactions energy: -2043.078
where: short stacking energy: -811.837
Base-Backbone interact. energy: -2.796
local terms energy: -876.800908
where:
bonds (distance) C4'-P energy: -170.650
bonds (distance) P-C4' energy: -168.440
flat angles C4'-P-C4' energy: -182.284
flat angles P-C4'-P energy: -116.880
tors. eta vs tors. theta energy: -238.547
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: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2843.907868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.907868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.189930 (E_RNA)
where:
Base-Base interactions energy: -1973.418
where: short stacking energy: -827.888
Base-Backbone interact. energy: -3.334
local terms energy: -869.437691
where:
bonds (distance) C4'-P energy: -149.518
bonds (distance) P-C4' energy: -159.821
flat angles C4'-P-C4' energy: -191.586
flat angles P-C4'-P energy: -120.194
tors. eta vs tors. theta energy: -248.319
Dist. restrs. and SS energy: 2.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2688.562490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.562490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.430539 (E_RNA)
where:
Base-Base interactions energy: -1871.009
where: short stacking energy: -781.839
Base-Backbone interact. energy: 4.516
local terms energy: -824.937378
where:
bonds (distance) C4'-P energy: -144.797
bonds (distance) P-C4' energy: -151.485
flat angles C4'-P-C4' energy: -179.576
flat angles P-C4'-P energy: -120.367
tors. eta vs tors. theta energy: -228.712
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2577.483643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.483643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.200923 (E_RNA)
where:
Base-Base interactions energy: -1784.446
where: short stacking energy: -781.447
Base-Backbone interact. energy: 2.955
local terms energy: -797.710198
where:
bonds (distance) C4'-P energy: -156.503
bonds (distance) P-C4' energy: -131.497
flat angles C4'-P-C4' energy: -167.324
flat angles P-C4'-P energy: -106.595
tors. eta vs tors. theta energy: -235.791
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: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2319.937600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.937600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.557331 (E_RNA)
where:
Base-Base interactions energy: -1596.160
where: short stacking energy: -673.843
Base-Backbone interact. energy: -4.788
local terms energy: -721.609538
where:
bonds (distance) C4'-P energy: -111.601
bonds (distance) P-C4' energy: -149.487
flat angles C4'-P-C4' energy: -162.284
flat angles P-C4'-P energy: -103.903
tors. eta vs tors. theta energy: -194.335
Dist. restrs. and SS energy: 2.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2279.778409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.778409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.652033 (E_RNA)
where:
Base-Base interactions energy: -1541.865
where: short stacking energy: -661.056
Base-Backbone interact. energy: -0.922
local terms energy: -739.864452
where:
bonds (distance) C4'-P energy: -141.211
bonds (distance) P-C4' energy: -153.028
flat angles C4'-P-C4' energy: -153.071
flat angles P-C4'-P energy: -98.191
tors. eta vs tors. theta energy: -194.364
Dist. restrs. and SS energy: 2.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2235.404342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.404342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.069318 (E_RNA)
where:
Base-Base interactions energy: -1497.269
where: short stacking energy: -649.830
Base-Backbone interact. energy: -2.761
local terms energy: -737.040121
where:
bonds (distance) C4'-P energy: -143.732
bonds (distance) P-C4' energy: -137.786
flat angles C4'-P-C4' energy: -177.251
flat angles P-C4'-P energy: -94.061
tors. eta vs tors. theta energy: -184.211
Dist. restrs. and SS energy: 1.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2012.331864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.331864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.163971 (E_RNA)
where:
Base-Base interactions energy: -1382.468
where: short stacking energy: -582.531
Base-Backbone interact. energy: 0.764
local terms energy: -633.459663
where:
bonds (distance) C4'-P energy: -130.508
bonds (distance) P-C4' energy: -112.874
flat angles C4'-P-C4' energy: -141.879
flat angles P-C4'-P energy: -101.100
tors. eta vs tors. theta energy: -147.099
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: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1937.406740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.406740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.727651 (E_RNA)
where:
Base-Base interactions energy: -1291.379
where: short stacking energy: -557.195
Base-Backbone interact. energy: -1.732
local terms energy: -647.617053
where:
bonds (distance) C4'-P energy: -134.217
bonds (distance) P-C4' energy: -159.433
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -130.081
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: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1918.263529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.263529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.896694 (E_RNA)
where:
Base-Base interactions energy: -1268.274
where: short stacking energy: -520.486
Base-Backbone interact. energy: -0.831
local terms energy: -651.791802
where:
bonds (distance) C4'-P energy: -130.654
bonds (distance) P-C4' energy: -126.453
flat angles C4'-P-C4' energy: -149.490
flat angles P-C4'-P energy: -107.808
tors. eta vs tors. theta energy: -137.387
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2892.243252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.243252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.269261 (E_RNA)
where:
Base-Base interactions energy: -2031.186
where: short stacking energy: -815.048
Base-Backbone interact. energy: -1.412
local terms energy: -861.671359
where:
bonds (distance) C4'-P energy: -147.974
bonds (distance) P-C4' energy: -166.517
flat angles C4'-P-C4' energy: -186.218
flat angles P-C4'-P energy: -123.634
tors. eta vs tors. theta energy: -237.328
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: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2834.712520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.712520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.543526 (E_RNA)
where:
Base-Base interactions energy: -1957.520
where: short stacking energy: -793.801
Base-Backbone interact. energy: -2.828
local terms energy: -876.194998
where:
bonds (distance) C4'-P energy: -171.216
bonds (distance) P-C4' energy: -152.021
flat angles C4'-P-C4' energy: -182.573
flat angles P-C4'-P energy: -127.435
tors. eta vs tors. theta energy: -242.949
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2645.605708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.605708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.821050 (E_RNA)
where:
Base-Base interactions energy: -1817.057
where: short stacking energy: -773.117
Base-Backbone interact. energy: -1.834
local terms energy: -828.929823
where:
bonds (distance) C4'-P energy: -142.121
bonds (distance) P-C4' energy: -159.290
flat angles C4'-P-C4' energy: -177.235
flat angles P-C4'-P energy: -121.491
tors. eta vs tors. theta energy: -228.793
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: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2579.774399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.774399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.192162 (E_RNA)
where:
Base-Base interactions energy: -1788.627
where: short stacking energy: -755.172
Base-Backbone interact. energy: -1.658
local terms energy: -791.907382
where:
bonds (distance) C4'-P energy: -136.566
bonds (distance) P-C4' energy: -142.796
flat angles C4'-P-C4' energy: -173.966
flat angles P-C4'-P energy: -111.944
tors. eta vs tors. theta energy: -226.634
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: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2329.986987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.986987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.341679 (E_RNA)
where:
Base-Base interactions energy: -1569.037
where: short stacking energy: -673.021
Base-Backbone interact. energy: 6.391
local terms energy: -768.696620
where:
bonds (distance) C4'-P energy: -136.522
bonds (distance) P-C4' energy: -166.759
flat angles C4'-P-C4' energy: -164.562
flat angles P-C4'-P energy: -107.048
tors. eta vs tors. theta energy: -193.805
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2218.532388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.532388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.102991 (E_RNA)
where:
Base-Base interactions energy: -1493.939
where: short stacking energy: -605.684
Base-Backbone interact. energy: -3.244
local terms energy: -726.919262
where:
bonds (distance) C4'-P energy: -147.015
bonds (distance) P-C4' energy: -131.262
flat angles C4'-P-C4' energy: -168.115
flat angles P-C4'-P energy: -118.030
tors. eta vs tors. theta energy: -162.498
Dist. restrs. and SS energy: 5.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2206.987407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.987407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.879072 (E_RNA)
where:
Base-Base interactions energy: -1529.986
where: short stacking energy: -652.508
Base-Backbone interact. energy: 2.810
local terms energy: -681.702540
where:
bonds (distance) C4'-P energy: -117.712
bonds (distance) P-C4' energy: -132.486
flat angles C4'-P-C4' energy: -147.086
flat angles P-C4'-P energy: -104.157
tors. eta vs tors. theta energy: -180.261
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2061.146600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.146600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.719774 (E_RNA)
where:
Base-Base interactions energy: -1398.809
where: short stacking energy: -613.661
Base-Backbone interact. energy: -1.383
local terms energy: -663.527362
where:
bonds (distance) C4'-P energy: -109.303
bonds (distance) P-C4' energy: -142.375
flat angles C4'-P-C4' energy: -161.715
flat angles P-C4'-P energy: -101.470
tors. eta vs tors. theta energy: -148.665
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: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1939.439640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.456861 (E_RNA)
where:
Base-Base interactions energy: -1300.066
where: short stacking energy: -529.326
Base-Backbone interact. energy: 0.722
local terms energy: -642.112542
where:
bonds (distance) C4'-P energy: -118.218
bonds (distance) P-C4' energy: -140.901
flat angles C4'-P-C4' energy: -158.620
flat angles P-C4'-P energy: -89.435
tors. eta vs tors. theta energy: -134.939
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1835.331067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.331067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.256888 (E_RNA)
where:
Base-Base interactions energy: -1239.822
where: short stacking energy: -505.935
Base-Backbone interact. energy: -1.044
local terms energy: -599.390400
where:
bonds (distance) C4'-P energy: -120.906
bonds (distance) P-C4' energy: -144.629
flat angles C4'-P-C4' energy: -140.730
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -120.821
Dist. restrs. and SS energy: 4.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2924.885631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.885631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.070525 (E_RNA)
where:
Base-Base interactions energy: -2018.614
where: short stacking energy: -833.976
Base-Backbone interact. energy: -5.621
local terms energy: -901.836105
where:
bonds (distance) C4'-P energy: -161.894
bonds (distance) P-C4' energy: -173.982
flat angles C4'-P-C4' energy: -191.619
flat angles P-C4'-P energy: -125.645
tors. eta vs tors. theta energy: -248.696
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2806.760017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.760017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.868500 (E_RNA)
where:
Base-Base interactions energy: -1972.346
where: short stacking energy: -823.567
Base-Backbone interact. energy: -2.588
local terms energy: -834.933630
where:
bonds (distance) C4'-P energy: -145.179
bonds (distance) P-C4' energy: -149.924
flat angles C4'-P-C4' energy: -175.905
flat angles P-C4'-P energy: -122.455
tors. eta vs tors. theta energy: -241.470
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2601.046677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.046677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.251013 (E_RNA)
where:
Base-Base interactions energy: -1774.757
where: short stacking energy: -755.419
Base-Backbone interact. energy: -1.406
local terms energy: -827.087104
where:
bonds (distance) C4'-P energy: -144.599
bonds (distance) P-C4' energy: -155.180
flat angles C4'-P-C4' energy: -180.039
flat angles P-C4'-P energy: -122.805
tors. eta vs tors. theta energy: -224.464
Dist. restrs. and SS energy: 2.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2614.084374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.084374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.012124 (E_RNA)
where:
Base-Base interactions energy: -1823.862
where: short stacking energy: -759.647
Base-Backbone interact. energy: 4.213
local terms energy: -796.362590
where:
bonds (distance) C4'-P energy: -143.791
bonds (distance) P-C4' energy: -150.966
flat angles C4'-P-C4' energy: -183.512
flat angles P-C4'-P energy: -104.406
tors. eta vs tors. theta energy: -213.688
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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2360.958746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.958746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.524251 (E_RNA)
where:
Base-Base interactions energy: -1610.209
where: short stacking energy: -704.821
Base-Backbone interact. energy: -1.185
local terms energy: -751.130496
where:
bonds (distance) C4'-P energy: -128.158
bonds (distance) P-C4' energy: -144.355
flat angles C4'-P-C4' energy: -171.952
flat angles P-C4'-P energy: -108.366
tors. eta vs tors. theta energy: -198.300
Dist. restrs. and SS energy: 1.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2276.929397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.929397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.896656 (E_RNA)
where:
Base-Base interactions energy: -1550.625
where: short stacking energy: -687.423
Base-Backbone interact. energy: 7.377
local terms energy: -736.648019
where:
bonds (distance) C4'-P energy: -145.508
bonds (distance) P-C4' energy: -152.670
flat angles C4'-P-C4' energy: -148.959
flat angles P-C4'-P energy: -102.059
tors. eta vs tors. theta energy: -187.452
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: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2162.634884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.634884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.324360 (E_RNA)
where:
Base-Base interactions energy: -1446.363
where: short stacking energy: -634.354
Base-Backbone interact. energy: -3.003
local terms energy: -715.959060
where:
bonds (distance) C4'-P energy: -113.650
bonds (distance) P-C4' energy: -159.629
flat angles C4'-P-C4' energy: -165.091
flat angles P-C4'-P energy: -97.745
tors. eta vs tors. theta energy: -179.845
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2055.229252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.229252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.125150 (E_RNA)
where:
Base-Base interactions energy: -1404.969
where: short stacking energy: -600.607
Base-Backbone interact. energy: 2.970
local terms energy: -656.126119
where:
bonds (distance) C4'-P energy: -132.993
bonds (distance) P-C4' energy: -141.174
flat angles C4'-P-C4' energy: -139.642
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -156.892
Dist. restrs. and SS energy: 2.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1945.816533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.816533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.704376 (E_RNA)
where:
Base-Base interactions energy: -1346.935
where: short stacking energy: -556.603
Base-Backbone interact. energy: -1.782
local terms energy: -599.987739
where:
bonds (distance) C4'-P energy: -106.212
bonds (distance) P-C4' energy: -137.350
flat angles C4'-P-C4' energy: -137.143
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -137.208
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: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1848.494524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.494524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.100846 (E_RNA)
where:
Base-Base interactions energy: -1271.999
where: short stacking energy: -534.826
Base-Backbone interact. energy: 1.097
local terms energy: -580.198251
where:
bonds (distance) C4'-P energy: -118.004
bonds (distance) P-C4' energy: -119.899
flat angles C4'-P-C4' energy: -127.509
flat angles P-C4'-P energy: -71.478
tors. eta vs tors. theta energy: -143.309
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: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2874.234858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.234858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.446476 (E_RNA)
where:
Base-Base interactions energy: -1989.861
where: short stacking energy: -800.816
Base-Backbone interact. energy: -0.436
local terms energy: -886.149409
where:
bonds (distance) C4'-P energy: -145.635
bonds (distance) P-C4' energy: -159.511
flat angles C4'-P-C4' energy: -195.963
flat angles P-C4'-P energy: -135.880
tors. eta vs tors. theta energy: -249.161
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: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2880.228907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.228907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.984870 (E_RNA)
where:
Base-Base interactions energy: -2019.182
where: short stacking energy: -828.771
Base-Backbone interact. energy: -4.731
local terms energy: -858.071943
where:
bonds (distance) C4'-P energy: -153.591
bonds (distance) P-C4' energy: -154.443
flat angles C4'-P-C4' energy: -186.625
flat angles P-C4'-P energy: -125.879
tors. eta vs tors. theta energy: -237.534
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: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2650.317826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.317826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.646221 (E_RNA)
where:
Base-Base interactions energy: -1803.445
where: short stacking energy: -760.240
Base-Backbone interact. energy: -1.031
local terms energy: -847.170682
where:
bonds (distance) C4'-P energy: -161.274
bonds (distance) P-C4' energy: -155.347
flat angles C4'-P-C4' energy: -187.417
flat angles P-C4'-P energy: -128.987
tors. eta vs tors. theta energy: -214.147
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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2586.713543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.713543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.330293 (E_RNA)
where:
Base-Base interactions energy: -1786.366
where: short stacking energy: -770.905
Base-Backbone interact. energy: 1.496
local terms energy: -803.460306
where:
bonds (distance) C4'-P energy: -136.354
bonds (distance) P-C4' energy: -166.031
flat angles C4'-P-C4' energy: -175.473
flat angles P-C4'-P energy: -110.312
tors. eta vs tors. theta energy: -215.290
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: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2299.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.722547 (E_RNA)
where:
Base-Base interactions energy: -1586.305
where: short stacking energy: -665.209
Base-Backbone interact. energy: 3.920
local terms energy: -718.337567
where:
bonds (distance) C4'-P energy: -129.108
bonds (distance) P-C4' energy: -142.616
flat angles C4'-P-C4' energy: -164.200
flat angles P-C4'-P energy: -112.036
tors. eta vs tors. theta energy: -170.378
Dist. restrs. and SS energy: 1.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2275.768509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.768509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.473976 (E_RNA)
where:
Base-Base interactions energy: -1539.062
where: short stacking energy: -629.896
Base-Backbone interact. energy: -3.388
local terms energy: -735.024357
where:
bonds (distance) C4'-P energy: -134.872
bonds (distance) P-C4' energy: -127.231
flat angles C4'-P-C4' energy: -165.768
flat angles P-C4'-P energy: -119.759
tors. eta vs tors. theta energy: -187.395
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: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2096.708462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.708462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.805746 (E_RNA)
where:
Base-Base interactions energy: -1434.559
where: short stacking energy: -615.294
Base-Backbone interact. energy: 1.202
local terms energy: -665.448361
where:
bonds (distance) C4'-P energy: -135.157
bonds (distance) P-C4' energy: -135.491
flat angles C4'-P-C4' energy: -140.122
flat angles P-C4'-P energy: -89.790
tors. eta vs tors. theta energy: -164.889
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: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2053.573901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.573901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.978525 (E_RNA)
where:
Base-Base interactions energy: -1379.780
where: short stacking energy: -611.524
Base-Backbone interact. energy: -1.833
local terms energy: -674.365046
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -120.307
flat angles C4'-P-C4' energy: -159.599
flat angles P-C4'-P energy: -99.605
tors. eta vs tors. theta energy: -171.434
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: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1915.977359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.977359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.857315 (E_RNA)
where:
Base-Base interactions energy: -1313.501
where: short stacking energy: -531.626
Base-Backbone interact. energy: 2.103
local terms energy: -607.458829
where:
bonds (distance) C4'-P energy: -114.080
bonds (distance) P-C4' energy: -124.477
flat angles C4'-P-C4' energy: -139.718
flat angles P-C4'-P energy: -92.440
tors. eta vs tors. theta energy: -136.743
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: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1859.792656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.792656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.413892 (E_RNA)
where:
Base-Base interactions energy: -1265.873
where: short stacking energy: -536.884
Base-Backbone interact. energy: -0.005
local terms energy: -598.536101
where:
bonds (distance) C4'-P energy: -137.754
bonds (distance) P-C4' energy: -120.402
flat angles C4'-P-C4' energy: -125.609
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -129.740
Dist. restrs. and SS energy: 4.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2880.187384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.187384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.856320 (E_RNA)
where:
Base-Base interactions energy: -1990.969
where: short stacking energy: -823.114
Base-Backbone interact. energy: 1.520
local terms energy: -892.408117
where:
bonds (distance) C4'-P energy: -156.793
bonds (distance) P-C4' energy: -160.656
flat angles C4'-P-C4' energy: -193.844
flat angles P-C4'-P energy: -135.593
tors. eta vs tors. theta energy: -245.523
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2860.014011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.014011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.025584 (E_RNA)
where:
Base-Base interactions energy: -1998.162
where: short stacking energy: -820.839
Base-Backbone interact. energy: -2.346
local terms energy: -860.517317
where:
bonds (distance) C4'-P energy: -162.279
bonds (distance) P-C4' energy: -152.053
flat angles C4'-P-C4' energy: -178.848
flat angles P-C4'-P energy: -124.280
tors. eta vs tors. theta energy: -243.056
Dist. restrs. and SS energy: 1.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2679.033145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.564949 (E_RNA)
where:
Base-Base interactions energy: -1834.858
where: short stacking energy: -753.871
Base-Backbone interact. energy: -3.923
local terms energy: -841.784095
where:
bonds (distance) C4'-P energy: -160.187
bonds (distance) P-C4' energy: -162.776
flat angles C4'-P-C4' energy: -179.809
flat angles P-C4'-P energy: -120.989
tors. eta vs tors. theta energy: -218.023
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: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2549.848755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.848755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.157500 (E_RNA)
where:
Base-Base interactions energy: -1746.525
where: short stacking energy: -751.799
Base-Backbone interact. energy: -0.817
local terms energy: -803.814741
where:
bonds (distance) C4'-P energy: -151.511
bonds (distance) P-C4' energy: -155.724
flat angles C4'-P-C4' energy: -179.935
flat angles P-C4'-P energy: -107.386
tors. eta vs tors. theta energy: -209.259
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: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2295.216177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.216177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.642965 (E_RNA)
where:
Base-Base interactions energy: -1539.236
where: short stacking energy: -665.134
Base-Backbone interact. energy: 6.126
local terms energy: -763.532633
where:
bonds (distance) C4'-P energy: -163.493
bonds (distance) P-C4' energy: -148.860
flat angles C4'-P-C4' energy: -160.673
flat angles P-C4'-P energy: -96.011
tors. eta vs tors. theta energy: -194.495
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: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2253.544154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.544154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.432676 (E_RNA)
where:
Base-Base interactions energy: -1525.471
where: short stacking energy: -662.484
Base-Backbone interact. energy: -1.714
local terms energy: -728.247807
where:
bonds (distance) C4'-P energy: -125.187
bonds (distance) P-C4' energy: -133.789
flat angles C4'-P-C4' energy: -169.139
flat angles P-C4'-P energy: -117.122
tors. eta vs tors. theta energy: -183.011
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -2117.582427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.582427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.668870 (E_RNA)
where:
Base-Base interactions energy: -1435.209
where: short stacking energy: -657.826
Base-Backbone interact. energy: -0.725
local terms energy: -684.735353
where:
bonds (distance) C4'-P energy: -120.187
bonds (distance) P-C4' energy: -147.065
flat angles C4'-P-C4' energy: -146.139
flat angles P-C4'-P energy: -92.284
tors. eta vs tors. theta energy: -179.060
Dist. restrs. and SS energy: 3.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2072.149206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.149206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.117485 (E_RNA)
where:
Base-Base interactions energy: -1403.122
where: short stacking energy: -590.016
Base-Backbone interact. energy: 0.352
local terms energy: -671.347609
where:
bonds (distance) C4'-P energy: -132.938
bonds (distance) P-C4' energy: -137.926
flat angles C4'-P-C4' energy: -141.111
flat angles P-C4'-P energy: -100.064
tors. eta vs tors. theta energy: -159.309
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1908.372485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.372485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.642156 (E_RNA)
where:
Base-Base interactions energy: -1305.635
where: short stacking energy: -556.072
Base-Backbone interact. energy: 6.243
local terms energy: -615.250734
where:
bonds (distance) C4'-P energy: -126.758
bonds (distance) P-C4' energy: -139.866
flat angles C4'-P-C4' energy: -150.102
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: -126.531
Dist. restrs. and SS energy: 6.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -1833.073694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.073694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.380199 (E_RNA)
where:
Base-Base interactions energy: -1261.679
where: short stacking energy: -522.712
Base-Backbone interact. energy: 3.923
local terms energy: -578.624486
where:
bonds (distance) C4'-P energy: -113.405
bonds (distance) P-C4' energy: -122.935
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -88.056
tors. eta vs tors. theta energy: -114.086
Dist. restrs. and SS energy: 3.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2888.177567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.177567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.617800 (E_RNA)
where:
Base-Base interactions energy: -2019.632
where: short stacking energy: -852.267
Base-Backbone interact. energy: 1.438
local terms energy: -871.424458
where:
bonds (distance) C4'-P energy: -157.760
bonds (distance) P-C4' energy: -153.516
flat angles C4'-P-C4' energy: -174.054
flat angles P-C4'-P energy: -135.292
tors. eta vs tors. theta energy: -250.802
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2902.101951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.101951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.655553 (E_RNA)
where:
Base-Base interactions energy: -2030.906
where: short stacking energy: -834.424
Base-Backbone interact. energy: -2.782
local terms energy: -868.968340
where:
bonds (distance) C4'-P energy: -150.561
bonds (distance) P-C4' energy: -167.490
flat angles C4'-P-C4' energy: -181.596
flat angles P-C4'-P energy: -130.757
tors. eta vs tors. theta energy: -238.563
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2659.836332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.836332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.750295 (E_RNA)
where:
Base-Base interactions energy: -1840.425
where: short stacking energy: -787.974
Base-Backbone interact. energy: 0.657
local terms energy: -820.982139
where:
bonds (distance) C4'-P energy: -151.171
bonds (distance) P-C4' energy: -157.716
flat angles C4'-P-C4' energy: -178.349
flat angles P-C4'-P energy: -103.582
tors. eta vs tors. theta energy: -230.164
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2566.199250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.199250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.620734 (E_RNA)
where:
Base-Base interactions energy: -1753.140
where: short stacking energy: -743.376
Base-Backbone interact. energy: -2.053
local terms energy: -812.427517
where:
bonds (distance) C4'-P energy: -149.859
bonds (distance) P-C4' energy: -158.082
flat angles C4'-P-C4' energy: -178.740
flat angles P-C4'-P energy: -106.060
tors. eta vs tors. theta energy: -219.686
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: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2311.507314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.507314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.591761 (E_RNA)
where:
Base-Base interactions energy: -1567.519
where: short stacking energy: -674.941
Base-Backbone interact. energy: 2.569
local terms energy: -749.641360
where:
bonds (distance) C4'-P energy: -147.914
bonds (distance) P-C4' energy: -147.540
flat angles C4'-P-C4' energy: -158.263
flat angles P-C4'-P energy: -105.236
tors. eta vs tors. theta energy: -190.689
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: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2250.126567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.126567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.528986 (E_RNA)
where:
Base-Base interactions energy: -1524.775
where: short stacking energy: -629.328
Base-Backbone interact. energy: 6.908
local terms energy: -733.661430
where:
bonds (distance) C4'-P energy: -143.916
bonds (distance) P-C4' energy: -134.126
flat angles C4'-P-C4' energy: -168.841
flat angles P-C4'-P energy: -108.930
tors. eta vs tors. theta energy: -177.849
Dist. restrs. and SS energy: 1.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2083.286856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.286856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.657287 (E_RNA)
where:
Base-Base interactions energy: -1411.845
where: short stacking energy: -635.929
Base-Backbone interact. energy: 0.851
local terms energy: -674.663799
where:
bonds (distance) C4'-P energy: -133.942
bonds (distance) P-C4' energy: -134.481
flat angles C4'-P-C4' energy: -144.300
flat angles P-C4'-P energy: -88.064
tors. eta vs tors. theta energy: -173.877
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: 330
Temperature: 1.250000
Total energy: -2058.032474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.032474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.273747 (E_RNA)
where:
Base-Base interactions energy: -1415.332
where: short stacking energy: -575.930
Base-Backbone interact. energy: 6.815
local terms energy: -651.756886
where:
bonds (distance) C4'-P energy: -145.348
bonds (distance) P-C4' energy: -133.090
flat angles C4'-P-C4' energy: -143.768
flat angles P-C4'-P energy: -83.138
tors. eta vs tors. theta energy: -146.414
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: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1901.753049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.753049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.751381 (E_RNA)
where:
Base-Base interactions energy: -1286.241
where: short stacking energy: -528.316
Base-Backbone interact. energy: -0.300
local terms energy: -618.210479
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -125.386
flat angles C4'-P-C4' energy: -129.378
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -145.997
Dist. restrs. and SS energy: 2.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1874.532738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.532738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.065889 (E_RNA)
where:
Base-Base interactions energy: -1260.771
where: short stacking energy: -529.077
Base-Backbone interact. energy: -3.033
local terms energy: -614.261494
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -130.962
flat angles C4'-P-C4' energy: -115.935
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -143.755
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: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2892.421369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.421369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.637720 (E_RNA)
where:
Base-Base interactions energy: -2004.284
where: short stacking energy: -838.975
Base-Backbone interact. energy: 2.294
local terms energy: -891.647994
where:
bonds (distance) C4'-P energy: -154.967
bonds (distance) P-C4' energy: -169.636
flat angles C4'-P-C4' energy: -183.673
flat angles P-C4'-P energy: -128.330
tors. eta vs tors. theta energy: -255.041
Dist. restrs. and SS energy: 1.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2896.253126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.253126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.841018 (E_RNA)
where:
Base-Base interactions energy: -2033.530
where: short stacking energy: -864.336
Base-Backbone interact. energy: -2.360
local terms energy: -861.950878
where:
bonds (distance) C4'-P energy: -152.583
bonds (distance) P-C4' energy: -154.457
flat angles C4'-P-C4' energy: -176.609
flat angles P-C4'-P energy: -129.356
tors. eta vs tors. theta energy: -248.946
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: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2637.357917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.357917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.267403 (E_RNA)
where:
Base-Base interactions energy: -1808.924
where: short stacking energy: -751.710
Base-Backbone interact. energy: -2.913
local terms energy: -827.430193
where:
bonds (distance) C4'-P energy: -153.306
bonds (distance) P-C4' energy: -148.383
flat angles C4'-P-C4' energy: -178.393
flat angles P-C4'-P energy: -115.493
tors. eta vs tors. theta energy: -231.855
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2573.170075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.170075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.724328 (E_RNA)
where:
Base-Base interactions energy: -1774.822
where: short stacking energy: -734.435
Base-Backbone interact. energy: 1.149
local terms energy: -802.050878
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -153.349
flat angles C4'-P-C4' energy: -174.653
flat angles P-C4'-P energy: -124.938
tors. eta vs tors. theta energy: -210.245
Dist. restrs. and SS energy: 2.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2316.083972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.083972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.163268 (E_RNA)
where:
Base-Base interactions energy: -1568.524
where: short stacking energy: -665.209
Base-Backbone interact. energy: 1.936
local terms energy: -750.575285
where:
bonds (distance) C4'-P energy: -156.709
bonds (distance) P-C4' energy: -137.630
flat angles C4'-P-C4' energy: -177.068
flat angles P-C4'-P energy: -108.947
tors. eta vs tors. theta energy: -170.222
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2279.249282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.249282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.628100 (E_RNA)
where:
Base-Base interactions energy: -1554.811
where: short stacking energy: -658.360
Base-Backbone interact. energy: 2.052
local terms energy: -728.869039
where:
bonds (distance) C4'-P energy: -126.096
bonds (distance) P-C4' energy: -140.582
flat angles C4'-P-C4' energy: -164.334
flat angles P-C4'-P energy: -110.673
tors. eta vs tors. theta energy: -187.184
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: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2121.082013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.082013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.219019 (E_RNA)
where:
Base-Base interactions energy: -1398.527
where: short stacking energy: -611.877
Base-Backbone interact. energy: 3.323
local terms energy: -728.015273
where:
bonds (distance) C4'-P energy: -129.364
bonds (distance) P-C4' energy: -157.963
flat angles C4'-P-C4' energy: -162.602
flat angles P-C4'-P energy: -117.759
tors. eta vs tors. theta energy: -160.327
Dist. restrs. and SS energy: 2.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2047.034917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.034917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.436214 (E_RNA)
where:
Base-Base interactions energy: -1403.519
where: short stacking energy: -607.096
Base-Backbone interact. energy: 7.126
local terms energy: -653.043766
where:
bonds (distance) C4'-P energy: -110.190
bonds (distance) P-C4' energy: -126.210
flat angles C4'-P-C4' energy: -158.923
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -161.049
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: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1889.377604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.377604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.649962 (E_RNA)
where:
Base-Base interactions energy: -1273.392
where: short stacking energy: -540.400
Base-Backbone interact. energy: 0.087
local terms energy: -619.345659
where:
bonds (distance) C4'-P energy: -137.566
bonds (distance) P-C4' energy: -132.935
flat angles C4'-P-C4' energy: -113.891
flat angles P-C4'-P energy: -85.538
tors. eta vs tors. theta energy: -149.415
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: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1820.121664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.121664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.897451 (E_RNA)
where:
Base-Base interactions energy: -1237.852
where: short stacking energy: -511.925
Base-Backbone interact. energy: 0.158
local terms energy: -587.203867
where:
bonds (distance) C4'-P energy: -117.133
bonds (distance) P-C4' energy: -140.675
flat angles C4'-P-C4' energy: -131.748
flat angles P-C4'-P energy: -75.738
tors. eta vs tors. theta energy: -121.910
Dist. restrs. and SS energy: 4.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2903.371538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.371538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.476780 (E_RNA)
where:
Base-Base interactions energy: -2006.881
where: short stacking energy: -846.470
Base-Backbone interact. energy: -0.223
local terms energy: -897.373205
where:
bonds (distance) C4'-P energy: -177.085
bonds (distance) P-C4' energy: -158.271
flat angles C4'-P-C4' energy: -182.726
flat angles P-C4'-P energy: -130.033
tors. eta vs tors. theta energy: -249.258
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2859.699390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.699390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.978536 (E_RNA)
where:
Base-Base interactions energy: -1996.773
where: short stacking energy: -835.215
Base-Backbone interact. energy: -4.247
local terms energy: -859.958935
where:
bonds (distance) C4'-P energy: -148.712
bonds (distance) P-C4' energy: -160.639
flat angles C4'-P-C4' energy: -174.529
flat angles P-C4'-P energy: -138.898
tors. eta vs tors. theta energy: -237.181
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: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2678.512140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.512140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.820421 (E_RNA)
where:
Base-Base interactions energy: -1835.713
where: short stacking energy: -796.046
Base-Backbone interact. energy: -2.409
local terms energy: -842.698024
where:
bonds (distance) C4'-P energy: -156.345
bonds (distance) P-C4' energy: -156.502
flat angles C4'-P-C4' energy: -173.563
flat angles P-C4'-P energy: -119.488
tors. eta vs tors. theta energy: -236.800
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2539.085291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.085291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.394711 (E_RNA)
where:
Base-Base interactions energy: -1732.023
where: short stacking energy: -733.703
Base-Backbone interact. energy: -0.345
local terms energy: -808.026354
where:
bonds (distance) C4'-P energy: -144.470
bonds (distance) P-C4' energy: -168.865
flat angles C4'-P-C4' energy: -166.589
flat angles P-C4'-P energy: -120.354
tors. eta vs tors. theta energy: -207.749
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: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2307.333121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.333121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.710811 (E_RNA)
where:
Base-Base interactions energy: -1558.677
where: short stacking energy: -671.443
Base-Backbone interact. energy: 0.512
local terms energy: -753.545764
where:
bonds (distance) C4'-P energy: -135.804
bonds (distance) P-C4' energy: -165.443
flat angles C4'-P-C4' energy: -152.738
flat angles P-C4'-P energy: -105.531
tors. eta vs tors. theta energy: -194.030
Dist. restrs. and SS energy: 4.378 (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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2218.064318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.064318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.401889 (E_RNA)
where:
Base-Base interactions energy: -1491.184
where: short stacking energy: -611.341
Base-Backbone interact. energy: -1.702
local terms energy: -727.515861
where:
bonds (distance) C4'-P energy: -145.910
bonds (distance) P-C4' energy: -144.832
flat angles C4'-P-C4' energy: -160.105
flat angles P-C4'-P energy: -102.214
tors. eta vs tors. theta energy: -174.454
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: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2159.103593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.103593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.208472 (E_RNA)
where:
Base-Base interactions energy: -1449.963
where: short stacking energy: -609.885
Base-Backbone interact. energy: 8.278
local terms energy: -719.523512
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -140.907
flat angles C4'-P-C4' energy: -162.316
flat angles P-C4'-P energy: -92.960
tors. eta vs tors. theta energy: -178.888
Dist. restrs. and SS energy: 2.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2039.742460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.742460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.152228 (E_RNA)
where:
Base-Base interactions energy: -1395.543
where: short stacking energy: -590.276
Base-Backbone interact. energy: 1.494
local terms energy: -649.102817
where:
bonds (distance) C4'-P energy: -134.877
bonds (distance) P-C4' energy: -130.487
flat angles C4'-P-C4' energy: -147.768
flat angles P-C4'-P energy: -77.857
tors. eta vs tors. theta energy: -158.115
Dist. restrs. and SS energy: 3.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1972.210157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.210157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.240499 (E_RNA)
where:
Base-Base interactions energy: -1345.751
where: short stacking energy: -558.187
Base-Backbone interact. energy: 6.493
local terms energy: -635.982054
where:
bonds (distance) C4'-P energy: -127.711
bonds (distance) P-C4' energy: -130.095
flat angles C4'-P-C4' energy: -151.890
flat angles P-C4'-P energy: -85.562
tors. eta vs tors. theta energy: -140.724
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: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1782.390452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.390452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.893425 (E_RNA)
where:
Base-Base interactions energy: -1223.327
where: short stacking energy: -501.989
Base-Backbone interact. energy: -1.900
local terms energy: -560.666285
where:
bonds (distance) C4'-P energy: -117.806
bonds (distance) P-C4' energy: -126.303
flat angles C4'-P-C4' energy: -122.219
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -102.000
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: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2942.043935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.043935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.760443 (E_RNA)
where:
Base-Base interactions energy: -2046.328
where: short stacking energy: -853.491
Base-Backbone interact. energy: -3.956
local terms energy: -893.475920
where:
bonds (distance) C4'-P energy: -152.718
bonds (distance) P-C4' energy: -167.822
flat angles C4'-P-C4' energy: -188.724
flat angles P-C4'-P energy: -138.918
tors. eta vs tors. theta energy: -245.293
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2834.966499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.966499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.097296 (E_RNA)
where:
Base-Base interactions energy: -1999.542
where: short stacking energy: -798.526
Base-Backbone interact. energy: 5.776
local terms energy: -843.331881
where:
bonds (distance) C4'-P energy: -161.868
bonds (distance) P-C4' energy: -135.621
flat angles C4'-P-C4' energy: -194.115
flat angles P-C4'-P energy: -126.884
tors. eta vs tors. theta energy: -224.844
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: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2652.764546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.764546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.737658 (E_RNA)
where:
Base-Base interactions energy: -1844.683
where: short stacking energy: -774.297
Base-Backbone interact. energy: 1.118
local terms energy: -811.172499
where:
bonds (distance) C4'-P energy: -135.620
bonds (distance) P-C4' energy: -139.622
flat angles C4'-P-C4' energy: -186.651
flat angles P-C4'-P energy: -105.032
tors. eta vs tors. theta energy: -244.248
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: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2549.739415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.739415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.441542 (E_RNA)
where:
Base-Base interactions energy: -1748.032
where: short stacking energy: -739.272
Base-Backbone interact. energy: 1.587
local terms energy: -804.996876
where:
bonds (distance) C4'-P energy: -139.795
bonds (distance) P-C4' energy: -144.480
flat angles C4'-P-C4' energy: -182.457
flat angles P-C4'-P energy: -111.714
tors. eta vs tors. theta energy: -226.551
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: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2308.397835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.397835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.031246 (E_RNA)
where:
Base-Base interactions energy: -1560.826
where: short stacking energy: -674.090
Base-Backbone interact. energy: -1.853
local terms energy: -747.352558
where:
bonds (distance) C4'-P energy: -146.163
bonds (distance) P-C4' energy: -140.640
flat angles C4'-P-C4' energy: -166.529
flat angles P-C4'-P energy: -99.931
tors. eta vs tors. theta energy: -194.090
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2228.014752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.014752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.995113 (E_RNA)
where:
Base-Base interactions energy: -1541.436
where: short stacking energy: -678.381
Base-Backbone interact. energy: -1.477
local terms energy: -688.081837
where:
bonds (distance) C4'-P energy: -142.767
bonds (distance) P-C4' energy: -146.348
flat angles C4'-P-C4' energy: -137.043
flat angles P-C4'-P energy: -85.209
tors. eta vs tors. theta energy: -176.715
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2121.569679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.569679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.821036 (E_RNA)
where:
Base-Base interactions energy: -1416.810
where: short stacking energy: -609.741
Base-Backbone interact. energy: 4.024
local terms energy: -711.035433
where:
bonds (distance) C4'-P energy: -137.750
bonds (distance) P-C4' energy: -142.148
flat angles C4'-P-C4' energy: -153.220
flat angles P-C4'-P energy: -112.295
tors. eta vs tors. theta energy: -165.622
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2038.734632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.734632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.762974 (E_RNA)
where:
Base-Base interactions energy: -1378.353
where: short stacking energy: -577.439
Base-Backbone interact. energy: -0.966
local terms energy: -662.443433
where:
bonds (distance) C4'-P energy: -141.933
bonds (distance) P-C4' energy: -156.413
flat angles C4'-P-C4' energy: -133.429
flat angles P-C4'-P energy: -82.277
tors. eta vs tors. theta energy: -148.391
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1960.993527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.993527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.923207 (E_RNA)
where:
Base-Base interactions energy: -1336.801
where: short stacking energy: -553.856
Base-Backbone interact. energy: 0.551
local terms energy: -628.673141
where:
bonds (distance) C4'-P energy: -110.880
bonds (distance) P-C4' energy: -123.974
flat angles C4'-P-C4' energy: -146.131
flat angles P-C4'-P energy: -95.212
tors. eta vs tors. theta energy: -152.476
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1793.609581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.609581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.780753 (E_RNA)
where:
Base-Base interactions energy: -1205.366
where: short stacking energy: -507.274
Base-Backbone interact. energy: 0.363
local terms energy: -595.777659
where:
bonds (distance) C4'-P energy: -119.241
bonds (distance) P-C4' energy: -134.360
flat angles C4'-P-C4' energy: -133.966
flat angles P-C4'-P energy: -84.676
tors. eta vs tors. theta energy: -123.535
Dist. restrs. and SS energy: 7.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2905.294983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.294983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.472263 (E_RNA)
where:
Base-Base interactions energy: -2010.966
where: short stacking energy: -854.549
Base-Backbone interact. energy: -2.273
local terms energy: -893.233019
where:
bonds (distance) C4'-P energy: -166.425
bonds (distance) P-C4' energy: -158.602
flat angles C4'-P-C4' energy: -187.393
flat angles P-C4'-P energy: -137.730
tors. eta vs tors. theta energy: -243.083
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: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2806.433439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.433439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.323599 (E_RNA)
where:
Base-Base interactions energy: -1960.378
where: short stacking energy: -839.196
Base-Backbone interact. energy: 7.594
local terms energy: -856.539322
where:
bonds (distance) C4'-P energy: -149.992
bonds (distance) P-C4' energy: -159.099
flat angles C4'-P-C4' energy: -187.898
flat angles P-C4'-P energy: -119.499
tors. eta vs tors. theta energy: -240.052
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: 3, replica: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2671.436703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.436703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.564295 (E_RNA)
where:
Base-Base interactions energy: -1835.420
where: short stacking energy: -755.205
Base-Backbone interact. energy: 0.357
local terms energy: -837.500698
where:
bonds (distance) C4'-P energy: -153.006
bonds (distance) P-C4' energy: -157.049
flat angles C4'-P-C4' energy: -173.726
flat angles P-C4'-P energy: -126.938
tors. eta vs tors. theta energy: -226.782
Dist. restrs. and SS energy: 1.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2563.866155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.866155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.585866 (E_RNA)
where:
Base-Base interactions energy: -1758.213
where: short stacking energy: -743.396
Base-Backbone interact. energy: -3.103
local terms energy: -804.269566
where:
bonds (distance) C4'-P energy: -133.097
bonds (distance) P-C4' energy: -173.697
flat angles C4'-P-C4' energy: -174.776
flat angles P-C4'-P energy: -117.314
tors. eta vs tors. theta energy: -205.385
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2368.525651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.525651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.539834 (E_RNA)
where:
Base-Base interactions energy: -1601.882
where: short stacking energy: -694.555
Base-Backbone interact. energy: 6.097
local terms energy: -774.754918
where:
bonds (distance) C4'-P energy: -139.637
bonds (distance) P-C4' energy: -150.300
flat angles C4'-P-C4' energy: -170.235
flat angles P-C4'-P energy: -114.784
tors. eta vs tors. theta energy: -199.799
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2259.266321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.266321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.492052 (E_RNA)
where:
Base-Base interactions energy: -1568.159
where: short stacking energy: -660.797
Base-Backbone interact. energy: -2.451
local terms energy: -690.881538
where:
bonds (distance) C4'-P energy: -134.910
bonds (distance) P-C4' energy: -131.651
flat angles C4'-P-C4' energy: -158.775
flat angles P-C4'-P energy: -102.121
tors. eta vs tors. theta energy: -163.425
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: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2157.023976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.023976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.384769 (E_RNA)
where:
Base-Base interactions energy: -1490.388
where: short stacking energy: -653.171
Base-Backbone interact. energy: -0.867
local terms energy: -668.129375
where:
bonds (distance) C4'-P energy: -138.265
bonds (distance) P-C4' energy: -130.812
flat angles C4'-P-C4' energy: -147.524
flat angles P-C4'-P energy: -77.322
tors. eta vs tors. theta energy: -174.207
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: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2013.923218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.923218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.866623 (E_RNA)
where:
Base-Base interactions energy: -1346.586
where: short stacking energy: -586.715
Base-Backbone interact. energy: -0.461
local terms energy: -668.819329
where:
bonds (distance) C4'-P energy: -124.360
bonds (distance) P-C4' energy: -148.473
flat angles C4'-P-C4' energy: -147.421
flat angles P-C4'-P energy: -86.932
tors. eta vs tors. theta energy: -161.634
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1941.592315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.592315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.999208 (E_RNA)
where:
Base-Base interactions energy: -1303.908
where: short stacking energy: -550.309
Base-Backbone interact. energy: 3.204
local terms energy: -644.294877
where:
bonds (distance) C4'-P energy: -144.149
bonds (distance) P-C4' energy: -121.265
flat angles C4'-P-C4' energy: -150.187
flat angles P-C4'-P energy: -90.289
tors. eta vs tors. theta energy: -138.407
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -1802.721565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.721565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.161975 (E_RNA)
where:
Base-Base interactions energy: -1201.527
where: short stacking energy: -505.100
Base-Backbone interact. energy: 5.873
local terms energy: -613.507379
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -132.189
flat angles C4'-P-C4' energy: -134.853
flat angles P-C4'-P energy: -97.850
tors. eta vs tors. theta energy: -141.319
Dist. restrs. and SS energy: 6.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2929.006109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.006109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.087724 (E_RNA)
where:
Base-Base interactions energy: -2056.198
where: short stacking energy: -853.437
Base-Backbone interact. energy: 3.940
local terms energy: -877.830222
where:
bonds (distance) C4'-P energy: -164.926
bonds (distance) P-C4' energy: -160.513
flat angles C4'-P-C4' energy: -182.172
flat angles P-C4'-P energy: -123.333
tors. eta vs tors. theta energy: -246.886
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2834.271963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.271963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.704186 (E_RNA)
where:
Base-Base interactions energy: -2004.033
where: short stacking energy: -827.093
Base-Backbone interact. energy: 5.726
local terms energy: -837.396694
where:
bonds (distance) C4'-P energy: -159.795
bonds (distance) P-C4' energy: -149.670
flat angles C4'-P-C4' energy: -168.911
flat angles P-C4'-P energy: -136.964
tors. eta vs tors. theta energy: -222.057
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: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2664.145169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.145169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.434652 (E_RNA)
where:
Base-Base interactions energy: -1848.752
where: short stacking energy: -775.471
Base-Backbone interact. energy: -2.265
local terms energy: -814.417657
where:
bonds (distance) C4'-P energy: -142.622
bonds (distance) P-C4' energy: -158.747
flat angles C4'-P-C4' energy: -166.429
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -232.348
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2558.341701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.341701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.226085 (E_RNA)
where:
Base-Base interactions energy: -1770.679
where: short stacking energy: -730.789
Base-Backbone interact. energy: 6.510
local terms energy: -796.057291
where:
bonds (distance) C4'-P energy: -147.058
bonds (distance) P-C4' energy: -140.219
flat angles C4'-P-C4' energy: -174.836
flat angles P-C4'-P energy: -115.266
tors. eta vs tors. theta energy: -218.678
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: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2344.273489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.273489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.044540 (E_RNA)
where:
Base-Base interactions energy: -1634.951
where: short stacking energy: -711.635
Base-Backbone interact. energy: 7.404
local terms energy: -718.497010
where:
bonds (distance) C4'-P energy: -145.722
bonds (distance) P-C4' energy: -121.726
flat angles C4'-P-C4' energy: -174.938
flat angles P-C4'-P energy: -76.656
tors. eta vs tors. theta energy: -199.456
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: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2182.294748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.294748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.683659 (E_RNA)
where:
Base-Base interactions energy: -1456.223
where: short stacking energy: -631.110
Base-Backbone interact. energy: -2.590
local terms energy: -725.871084
where:
bonds (distance) C4'-P energy: -123.116
bonds (distance) P-C4' energy: -158.666
flat angles C4'-P-C4' energy: -176.385
flat angles P-C4'-P energy: -100.939
tors. eta vs tors. theta energy: -166.765
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: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2147.882055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.882055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.981601 (E_RNA)
where:
Base-Base interactions energy: -1492.899
where: short stacking energy: -608.306
Base-Backbone interact. energy: 0.797
local terms energy: -657.880161
where:
bonds (distance) C4'-P energy: -120.174
bonds (distance) P-C4' energy: -133.794
flat angles C4'-P-C4' energy: -153.337
flat angles P-C4'-P energy: -91.865
tors. eta vs tors. theta energy: -158.711
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: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -2036.301231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.301231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.798337 (E_RNA)
where:
Base-Base interactions energy: -1399.714
where: short stacking energy: -605.054
Base-Backbone interact. energy: -0.298
local terms energy: -637.786379
where:
bonds (distance) C4'-P energy: -128.590
bonds (distance) P-C4' energy: -124.795
flat angles C4'-P-C4' energy: -139.244
flat angles P-C4'-P energy: -87.127
tors. eta vs tors. theta energy: -158.030
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: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -2014.018592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.018592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.317452 (E_RNA)
where:
Base-Base interactions energy: -1367.985
where: short stacking energy: -587.177
Base-Backbone interact. energy: -2.299
local terms energy: -646.033990
where:
bonds (distance) C4'-P energy: -119.101
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -142.308
flat angles P-C4'-P energy: -88.925
tors. eta vs tors. theta energy: -170.568
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: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1818.212680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.573995 (E_RNA)
where:
Base-Base interactions energy: -1255.107
where: short stacking energy: -555.273
Base-Backbone interact. energy: 3.629
local terms energy: -570.095793
where:
bonds (distance) C4'-P energy: -119.836
bonds (distance) P-C4' energy: -103.994
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -89.375
tors. eta vs tors. theta energy: -118.830
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2922.803683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.803683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.489682 (E_RNA)
where:
Base-Base interactions energy: -2063.797
where: short stacking energy: -864.560
Base-Backbone interact. energy: -4.174
local terms energy: -856.519257
where:
bonds (distance) C4'-P energy: -157.410
bonds (distance) P-C4' energy: -157.022
flat angles C4'-P-C4' energy: -174.783
flat angles P-C4'-P energy: -119.879
tors. eta vs tors. theta energy: -247.425
Dist. restrs. and SS energy: 1.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2836.932688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.932688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.718359 (E_RNA)
where:
Base-Base interactions energy: -2001.902
where: short stacking energy: -817.424
Base-Backbone interact. energy: 2.436
local terms energy: -839.252173
where:
bonds (distance) C4'-P energy: -150.133
bonds (distance) P-C4' energy: -140.397
flat angles C4'-P-C4' energy: -181.811
flat angles P-C4'-P energy: -122.634
tors. eta vs tors. theta energy: -244.277
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: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2643.296683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.296683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.205505 (E_RNA)
where:
Base-Base interactions energy: -1826.420
where: short stacking energy: -784.073
Base-Backbone interact. energy: 2.809
local terms energy: -821.594492
where:
bonds (distance) C4'-P energy: -146.829
bonds (distance) P-C4' energy: -144.382
flat angles C4'-P-C4' energy: -174.817
flat angles P-C4'-P energy: -112.587
tors. eta vs tors. theta energy: -242.980
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2537.505326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.505326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.210494 (E_RNA)
where:
Base-Base interactions energy: -1757.992
where: short stacking energy: -735.103
Base-Backbone interact. energy: 5.383
local terms energy: -786.601427
where:
bonds (distance) C4'-P energy: -149.241
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -167.003
flat angles P-C4'-P energy: -109.574
tors. eta vs tors. theta energy: -210.392
Dist. restrs. and SS energy: 1.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2315.300322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.300322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.241047 (E_RNA)
where:
Base-Base interactions energy: -1569.217
where: short stacking energy: -711.239
Base-Backbone interact. energy: 5.646
local terms energy: -754.669895
where:
bonds (distance) C4'-P energy: -124.723
bonds (distance) P-C4' energy: -146.759
flat angles C4'-P-C4' energy: -155.435
flat angles P-C4'-P energy: -122.830
tors. eta vs tors. theta energy: -204.922
Dist. restrs. and SS energy: 2.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2185.081160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.081160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.893876 (E_RNA)
where:
Base-Base interactions energy: -1458.625
where: short stacking energy: -631.534
Base-Backbone interact. energy: -1.288
local terms energy: -726.980880
where:
bonds (distance) C4'-P energy: -143.550
bonds (distance) P-C4' energy: -128.045
flat angles C4'-P-C4' energy: -154.738
flat angles P-C4'-P energy: -113.261
tors. eta vs tors. theta energy: -187.387
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2088.549432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.549432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.522645 (E_RNA)
where:
Base-Base interactions energy: -1436.260
where: short stacking energy: -606.286
Base-Backbone interact. energy: 3.345
local terms energy: -657.607184
where:
bonds (distance) C4'-P energy: -124.834
bonds (distance) P-C4' energy: -134.513
flat angles C4'-P-C4' energy: -148.099
flat angles P-C4'-P energy: -89.354
tors. eta vs tors. theta energy: -160.808
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: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2074.440676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.440676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.846622 (E_RNA)
where:
Base-Base interactions energy: -1415.385
where: short stacking energy: -614.526
Base-Backbone interact. energy: -1.872
local terms energy: -661.589430
where:
bonds (distance) C4'-P energy: -116.899
bonds (distance) P-C4' energy: -125.805
flat angles C4'-P-C4' energy: -163.402
flat angles P-C4'-P energy: -100.840
tors. eta vs tors. theta energy: -154.644
Dist. restrs. and SS energy: 4.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1950.330135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.330135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.499711 (E_RNA)
where:
Base-Base interactions energy: -1311.857
where: short stacking energy: -541.688
Base-Backbone interact. energy: 9.204
local terms energy: -650.846382
where:
bonds (distance) C4'-P energy: -116.260
bonds (distance) P-C4' energy: -122.965
flat angles C4'-P-C4' energy: -167.343
flat angles P-C4'-P energy: -91.741
tors. eta vs tors. theta energy: -152.537
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: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1790.919050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.919050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.085788 (E_RNA)
where:
Base-Base interactions energy: -1208.732
where: short stacking energy: -503.740
Base-Backbone interact. energy: 1.301
local terms energy: -589.654995
where:
bonds (distance) C4'-P energy: -130.751
bonds (distance) P-C4' energy: -123.277
flat angles C4'-P-C4' energy: -127.338
flat angles P-C4'-P energy: -92.495
tors. eta vs tors. theta energy: -115.794
Dist. restrs. and SS energy: 6.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2895.572452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.572452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.325834 (E_RNA)
where:
Base-Base interactions energy: -2032.914
where: short stacking energy: -812.866
Base-Backbone interact. energy: 1.148
local terms energy: -864.559515
where:
bonds (distance) C4'-P energy: -161.263
bonds (distance) P-C4' energy: -162.870
flat angles C4'-P-C4' energy: -183.396
flat angles P-C4'-P energy: -127.269
tors. eta vs tors. theta energy: -229.762
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: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2831.162952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.162952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.358962 (E_RNA)
where:
Base-Base interactions energy: -1978.129
where: short stacking energy: -829.844
Base-Backbone interact. energy: -0.556
local terms energy: -854.673497
where:
bonds (distance) C4'-P energy: -158.616
bonds (distance) P-C4' energy: -167.273
flat angles C4'-P-C4' energy: -168.226
flat angles P-C4'-P energy: -118.921
tors. eta vs tors. theta energy: -241.637
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: 337
Temperature: 1.000000
Total energy: -2657.994316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.994316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.100442 (E_RNA)
where:
Base-Base interactions energy: -1830.117
where: short stacking energy: -774.255
Base-Backbone interact. energy: -3.122
local terms energy: -825.861437
where:
bonds (distance) C4'-P energy: -154.950
bonds (distance) P-C4' energy: -160.002
flat angles C4'-P-C4' energy: -157.881
flat angles P-C4'-P energy: -117.355
tors. eta vs tors. theta energy: -235.674
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: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2491.996323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.996323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.807915 (E_RNA)
where:
Base-Base interactions energy: -1730.740
where: short stacking energy: -748.995
Base-Backbone interact. energy: 0.111
local terms energy: -763.179626
where:
bonds (distance) C4'-P energy: -132.253
bonds (distance) P-C4' energy: -152.301
flat angles C4'-P-C4' energy: -163.196
flat angles P-C4'-P energy: -104.080
tors. eta vs tors. theta energy: -211.350
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: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2297.172381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.172381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.392964 (E_RNA)
where:
Base-Base interactions energy: -1578.621
where: short stacking energy: -691.882
Base-Backbone interact. energy: 4.087
local terms energy: -723.858625
where:
bonds (distance) C4'-P energy: -124.233
bonds (distance) P-C4' energy: -131.567
flat angles C4'-P-C4' energy: -180.466
flat angles P-C4'-P energy: -106.821
tors. eta vs tors. theta energy: -180.772
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: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2239.182198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.182198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.607439 (E_RNA)
where:
Base-Base interactions energy: -1495.518
where: short stacking energy: -649.696
Base-Backbone interact. energy: -1.954
local terms energy: -744.135941
where:
bonds (distance) C4'-P energy: -138.659
bonds (distance) P-C4' energy: -150.238
flat angles C4'-P-C4' energy: -172.264
flat angles P-C4'-P energy: -94.002
tors. eta vs tors. theta energy: -188.972
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: 7, replica: 4
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2102.409789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.409789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.741342 (E_RNA)
where:
Base-Base interactions energy: -1382.440
where: short stacking energy: -607.227
Base-Backbone interact. energy: -1.442
local terms energy: -721.859546
where:
bonds (distance) C4'-P energy: -150.820
bonds (distance) P-C4' energy: -145.532
flat angles C4'-P-C4' energy: -157.971
flat angles P-C4'-P energy: -102.633
tors. eta vs tors. theta energy: -164.903
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: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2072.625567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.625567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.953808 (E_RNA)
where:
Base-Base interactions energy: -1413.315
where: short stacking energy: -592.531
Base-Backbone interact. energy: 3.053
local terms energy: -663.692382
where:
bonds (distance) C4'-P energy: -137.250
bonds (distance) P-C4' energy: -130.159
flat angles C4'-P-C4' energy: -155.127
flat angles P-C4'-P energy: -90.466
tors. eta vs tors. theta energy: -150.690
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -2006.182026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.182026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.073807 (E_RNA)
where:
Base-Base interactions energy: -1357.421
where: short stacking energy: -582.544
Base-Backbone interact. energy: 4.330
local terms energy: -655.982847
where:
bonds (distance) C4'-P energy: -121.984
bonds (distance) P-C4' energy: -123.978
flat angles C4'-P-C4' energy: -154.186
flat angles P-C4'-P energy: -102.048
tors. eta vs tors. theta energy: -153.787
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1787.805196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.805196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.224948 (E_RNA)
where:
Base-Base interactions energy: -1234.111
where: short stacking energy: -509.811
Base-Backbone interact. energy: 9.541
local terms energy: -579.654904
where:
bonds (distance) C4'-P energy: -127.312
bonds (distance) P-C4' energy: -119.451
flat angles C4'-P-C4' energy: -144.490
flat angles P-C4'-P energy: -75.640
tors. eta vs tors. theta energy: -112.762
Dist. restrs. and SS energy: 16.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2891.887390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.887390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.043390 (E_RNA)
where:
Base-Base interactions energy: -2012.968
where: short stacking energy: -826.612
Base-Backbone interact. energy: -4.816
local terms energy: -876.259458
where:
bonds (distance) C4'-P energy: -153.769
bonds (distance) P-C4' energy: -176.318
flat angles C4'-P-C4' energy: -185.792
flat angles P-C4'-P energy: -128.878
tors. eta vs tors. theta energy: -231.502
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: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2840.029748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.029748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.454949 (E_RNA)
where:
Base-Base interactions energy: -1992.112
where: short stacking energy: -811.092
Base-Backbone interact. energy: -0.835
local terms energy: -848.507445
where:
bonds (distance) C4'-P energy: -144.770
bonds (distance) P-C4' energy: -165.924
flat angles C4'-P-C4' energy: -174.406
flat angles P-C4'-P energy: -126.337
tors. eta vs tors. theta energy: -237.072
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: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2691.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.513800 (E_RNA)
where:
Base-Base interactions energy: -1838.130
where: short stacking energy: -794.686
Base-Backbone interact. energy: -3.364
local terms energy: -852.019735
where:
bonds (distance) C4'-P energy: -151.814
bonds (distance) P-C4' energy: -156.708
flat angles C4'-P-C4' energy: -189.884
flat angles P-C4'-P energy: -110.330
tors. eta vs tors. theta energy: -243.285
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: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2518.174335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.174335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.909539 (E_RNA)
where:
Base-Base interactions energy: -1716.227
where: short stacking energy: -748.180
Base-Backbone interact. energy: -2.205
local terms energy: -801.476746
where:
bonds (distance) C4'-P energy: -147.800
bonds (distance) P-C4' energy: -135.462
flat angles C4'-P-C4' energy: -177.436
flat angles P-C4'-P energy: -120.610
tors. eta vs tors. theta energy: -220.168
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: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2340.544150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.544150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.862107 (E_RNA)
where:
Base-Base interactions energy: -1627.477
where: short stacking energy: -669.978
Base-Backbone interact. energy: 2.803
local terms energy: -717.188039
where:
bonds (distance) C4'-P energy: -138.311
bonds (distance) P-C4' energy: -133.931
flat angles C4'-P-C4' energy: -180.232
flat angles P-C4'-P energy: -87.270
tors. eta vs tors. theta energy: -177.444
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2255.403787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.403787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.632182 (E_RNA)
where:
Base-Base interactions energy: -1547.335
where: short stacking energy: -659.747
Base-Backbone interact. energy: 5.446
local terms energy: -715.743151
where:
bonds (distance) C4'-P energy: -143.291
bonds (distance) P-C4' energy: -155.142
flat angles C4'-P-C4' energy: -158.828
flat angles P-C4'-P energy: -89.880
tors. eta vs tors. theta energy: -168.602
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: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2060.841067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.841067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.647550 (E_RNA)
where:
Base-Base interactions energy: -1338.707
where: short stacking energy: -577.890
Base-Backbone interact. energy: -0.420
local terms energy: -723.519754
where:
bonds (distance) C4'-P energy: -166.179
bonds (distance) P-C4' energy: -140.568
flat angles C4'-P-C4' energy: -154.987
flat angles P-C4'-P energy: -106.196
tors. eta vs tors. theta energy: -155.589
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1974.192379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.192379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.001704 (E_RNA)
where:
Base-Base interactions energy: -1326.102
where: short stacking energy: -556.350
Base-Backbone interact. energy: -1.815
local terms energy: -649.084281
where:
bonds (distance) C4'-P energy: -151.166
bonds (distance) P-C4' energy: -133.150
flat angles C4'-P-C4' energy: -157.462
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -129.164
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: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1833.895112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.895112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.642548 (E_RNA)
where:
Base-Base interactions energy: -1244.577
where: short stacking energy: -519.095
Base-Backbone interact. energy: 2.568
local terms energy: -597.633965
where:
bonds (distance) C4'-P energy: -137.181
bonds (distance) P-C4' energy: -111.658
flat angles C4'-P-C4' energy: -131.159
flat angles P-C4'-P energy: -80.378
tors. eta vs tors. theta energy: -137.257
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -1813.907974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.907974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.077311 (E_RNA)
where:
Base-Base interactions energy: -1279.977
where: short stacking energy: -540.128
Base-Backbone interact. energy: 1.855
local terms energy: -538.955421
where:
bonds (distance) C4'-P energy: -113.333
bonds (distance) P-C4' energy: -117.341
flat angles C4'-P-C4' energy: -110.370
flat angles P-C4'-P energy: -87.366
tors. eta vs tors. theta energy: -110.545
Dist. restrs. and SS energy: 3.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2905.993473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.993473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.720354 (E_RNA)
where:
Base-Base interactions energy: -2035.103
where: short stacking energy: -852.729
Base-Backbone interact. energy: 2.380
local terms energy: -875.997395
where:
bonds (distance) C4'-P energy: -158.879
bonds (distance) P-C4' energy: -169.964
flat angles C4'-P-C4' energy: -190.613
flat angles P-C4'-P energy: -105.329
tors. eta vs tors. theta energy: -251.213
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2865.841819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.841819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.404181 (E_RNA)
where:
Base-Base interactions energy: -2004.403
where: short stacking energy: -821.470
Base-Backbone interact. energy: 3.764
local terms energy: -866.765289
where:
bonds (distance) C4'-P energy: -150.345
bonds (distance) P-C4' energy: -168.127
flat angles C4'-P-C4' energy: -172.732
flat angles P-C4'-P energy: -130.726
tors. eta vs tors. theta energy: -244.835
Dist. restrs. and SS energy: 1.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2690.624528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.624528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.968079 (E_RNA)
where:
Base-Base interactions energy: -1881.967
where: short stacking energy: -778.530
Base-Backbone interact. energy: -2.625
local terms energy: -807.376252
where:
bonds (distance) C4'-P energy: -149.067
bonds (distance) P-C4' energy: -132.444
flat angles C4'-P-C4' energy: -186.729
flat angles P-C4'-P energy: -114.784
tors. eta vs tors. theta energy: -224.352
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2550.489190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.489190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.852726 (E_RNA)
where:
Base-Base interactions energy: -1729.514
where: short stacking energy: -701.887
Base-Backbone interact. energy: -3.371
local terms energy: -818.967069
where:
bonds (distance) C4'-P energy: -164.219
bonds (distance) P-C4' energy: -156.572
flat angles C4'-P-C4' energy: -170.750
flat angles P-C4'-P energy: -119.956
tors. eta vs tors. theta energy: -207.470
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: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2370.576864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.576864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.311523 (E_RNA)
where:
Base-Base interactions energy: -1622.598
where: short stacking energy: -695.800
Base-Backbone interact. energy: 2.265
local terms energy: -751.978952
where:
bonds (distance) C4'-P energy: -148.523
bonds (distance) P-C4' energy: -146.228
flat angles C4'-P-C4' energy: -157.661
flat angles P-C4'-P energy: -98.761
tors. eta vs tors. theta energy: -200.806
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: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2228.240779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.240779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.620846 (E_RNA)
where:
Base-Base interactions energy: -1539.995
where: short stacking energy: -666.844
Base-Backbone interact. energy: -1.039
local terms energy: -689.587155
where:
bonds (distance) C4'-P energy: -104.261
bonds (distance) P-C4' energy: -163.260
flat angles C4'-P-C4' energy: -149.743
flat angles P-C4'-P energy: -97.490
tors. eta vs tors. theta energy: -174.833
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: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2033.017898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.017898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.683146 (E_RNA)
where:
Base-Base interactions energy: -1370.003
where: short stacking energy: -597.243
Base-Backbone interact. energy: 2.650
local terms energy: -668.329710
where:
bonds (distance) C4'-P energy: -124.477
bonds (distance) P-C4' energy: -134.921
flat angles C4'-P-C4' energy: -164.477
flat angles P-C4'-P energy: -87.793
tors. eta vs tors. theta energy: -156.661
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2013.228813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.228813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.428119 (E_RNA)
where:
Base-Base interactions energy: -1373.040
where: short stacking energy: -586.390
Base-Backbone interact. energy: 3.584
local terms energy: -645.972450
where:
bonds (distance) C4'-P energy: -132.237
bonds (distance) P-C4' energy: -129.578
flat angles C4'-P-C4' energy: -157.384
flat angles P-C4'-P energy: -84.680
tors. eta vs tors. theta energy: -142.094
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: 1
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1849.227257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.227257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.758269 (E_RNA)
where:
Base-Base interactions energy: -1278.252
where: short stacking energy: -562.201
Base-Backbone interact. energy: 1.491
local terms energy: -581.996383
where:
bonds (distance) C4'-P energy: -105.312
bonds (distance) P-C4' energy: -128.530
flat angles C4'-P-C4' energy: -135.598
flat angles P-C4'-P energy: -98.410
tors. eta vs tors. theta energy: -114.147
Dist. restrs. and SS energy: 9.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -1843.585195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.585195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.530007 (E_RNA)
where:
Base-Base interactions energy: -1261.709
where: short stacking energy: -525.553
Base-Backbone interact. energy: 2.904
local terms energy: -587.724942
where:
bonds (distance) C4'-P energy: -119.600
bonds (distance) P-C4' energy: -114.717
flat angles C4'-P-C4' energy: -142.219
flat angles P-C4'-P energy: -92.231
tors. eta vs tors. theta energy: -118.958
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: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2888.777785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.777785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.632094 (E_RNA)
where:
Base-Base interactions energy: -1997.940
where: short stacking energy: -820.948
Base-Backbone interact. energy: -4.342
local terms energy: -889.349458
where:
bonds (distance) C4'-P energy: -162.901
bonds (distance) P-C4' energy: -163.080
flat angles C4'-P-C4' energy: -191.835
flat angles P-C4'-P energy: -138.869
tors. eta vs tors. theta energy: -232.665
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2828.681009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.681009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.930834 (E_RNA)
where:
Base-Base interactions energy: -1983.409
where: short stacking energy: -819.840
Base-Backbone interact. energy: 1.995
local terms energy: -848.517193
where:
bonds (distance) C4'-P energy: -164.605
bonds (distance) P-C4' energy: -152.772
flat angles C4'-P-C4' energy: -173.831
flat angles P-C4'-P energy: -120.940
tors. eta vs tors. theta energy: -236.369
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2676.260912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.260912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.666287 (E_RNA)
where:
Base-Base interactions energy: -1866.256
where: short stacking energy: -808.488
Base-Backbone interact. energy: -1.914
local terms energy: -809.496365
where:
bonds (distance) C4'-P energy: -145.448
bonds (distance) P-C4' energy: -160.038
flat angles C4'-P-C4' energy: -162.463
flat angles P-C4'-P energy: -110.566
tors. eta vs tors. theta energy: -230.982
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: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2516.985548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.985548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.313318 (E_RNA)
where:
Base-Base interactions energy: -1728.856
where: short stacking energy: -739.811
Base-Backbone interact. energy: -1.899
local terms energy: -788.558148
where:
bonds (distance) C4'-P energy: -143.765
bonds (distance) P-C4' energy: -137.414
flat angles C4'-P-C4' energy: -180.284
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -224.460
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: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2381.707538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.707538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.985350 (E_RNA)
where:
Base-Base interactions energy: -1631.879
where: short stacking energy: -705.765
Base-Backbone interact. energy: 6.973
local terms energy: -759.078710
where:
bonds (distance) C4'-P energy: -135.859
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -162.912
flat angles P-C4'-P energy: -114.297
tors. eta vs tors. theta energy: -201.743
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: 340
Temperature: 1.150000
Total energy: -2243.900382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.900382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.581977 (E_RNA)
where:
Base-Base interactions energy: -1521.390
where: short stacking energy: -654.420
Base-Backbone interact. energy: 1.857
local terms energy: -728.049263
where:
bonds (distance) C4'-P energy: -124.553
bonds (distance) P-C4' energy: -142.965
flat angles C4'-P-C4' energy: -166.716
flat angles P-C4'-P energy: -110.656
tors. eta vs tors. theta energy: -183.159
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2170.539461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.539461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.623944 (E_RNA)
where:
Base-Base interactions energy: -1458.895
where: short stacking energy: -601.234
Base-Backbone interact. energy: -3.239
local terms energy: -709.490400
where:
bonds (distance) C4'-P energy: -155.136
bonds (distance) P-C4' energy: -151.554
flat angles C4'-P-C4' energy: -151.853
flat angles P-C4'-P energy: -78.713
tors. eta vs tors. theta energy: -172.234
Dist. restrs. and SS energy: 1.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2054.610859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.610859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.992601 (E_RNA)
where:
Base-Base interactions energy: -1378.268
where: short stacking energy: -602.519
Base-Backbone interact. energy: -2.269
local terms energy: -676.454921
where:
bonds (distance) C4'-P energy: -143.620
bonds (distance) P-C4' energy: -143.832
flat angles C4'-P-C4' energy: -141.078
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -179.553
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1958.628211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.628211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.576540 (E_RNA)
where:
Base-Base interactions energy: -1336.734
where: short stacking energy: -566.522
Base-Backbone interact. energy: -0.145
local terms energy: -623.697154
where:
bonds (distance) C4'-P energy: -118.773
bonds (distance) P-C4' energy: -119.981
flat angles C4'-P-C4' energy: -152.204
flat angles P-C4'-P energy: -94.141
tors. eta vs tors. theta energy: -138.598
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: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1825.585855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.585855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.879667 (E_RNA)
where:
Base-Base interactions energy: -1226.779
where: short stacking energy: -515.766
Base-Backbone interact. energy: -2.381
local terms energy: -603.719405
where:
bonds (distance) C4'-P energy: -109.372
bonds (distance) P-C4' energy: -123.773
flat angles C4'-P-C4' energy: -140.683
flat angles P-C4'-P energy: -98.184
tors. eta vs tors. theta energy: -131.709
Dist. restrs. and SS energy: 7.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2873.478377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.478377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.436695 (E_RNA)
where:
Base-Base interactions energy: -2013.304
where: short stacking energy: -833.990
Base-Backbone interact. energy: 0.109
local terms energy: -863.242241
where:
bonds (distance) C4'-P energy: -165.926
bonds (distance) P-C4' energy: -151.998
flat angles C4'-P-C4' energy: -188.731
flat angles P-C4'-P energy: -122.761
tors. eta vs tors. theta energy: -233.826
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: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2808.142400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.142400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.262011 (E_RNA)
where:
Base-Base interactions energy: -1965.947
where: short stacking energy: -805.794
Base-Backbone interact. energy: 3.210
local terms energy: -846.524849
where:
bonds (distance) C4'-P energy: -158.317
bonds (distance) P-C4' energy: -154.097
flat angles C4'-P-C4' energy: -173.327
flat angles P-C4'-P energy: -120.865
tors. eta vs tors. theta energy: -239.919
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: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2713.076218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.076218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.161205 (E_RNA)
where:
Base-Base interactions energy: -1887.386
where: short stacking energy: -813.968
Base-Backbone interact. energy: 2.431
local terms energy: -830.206763
where:
bonds (distance) C4'-P energy: -134.316
bonds (distance) P-C4' energy: -163.263
flat angles C4'-P-C4' energy: -181.161
flat angles P-C4'-P energy: -111.925
tors. eta vs tors. theta energy: -239.542
Dist. restrs. and SS energy: 2.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2532.028415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.028415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.609988 (E_RNA)
where:
Base-Base interactions energy: -1753.929
where: short stacking energy: -709.184
Base-Backbone interact. energy: 7.641
local terms energy: -788.321636
where:
bonds (distance) C4'-P energy: -146.285
bonds (distance) P-C4' energy: -156.002
flat angles C4'-P-C4' energy: -177.144
flat angles P-C4'-P energy: -109.541
tors. eta vs tors. theta energy: -199.349
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: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2380.107292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.107292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.370264 (E_RNA)
where:
Base-Base interactions energy: -1621.047
where: short stacking energy: -673.780
Base-Backbone interact. energy: 1.082
local terms energy: -761.405098
where:
bonds (distance) C4'-P energy: -147.651
bonds (distance) P-C4' energy: -139.586
flat angles C4'-P-C4' energy: -176.531
flat angles P-C4'-P energy: -107.017
tors. eta vs tors. theta energy: -190.619
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: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2203.881893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.881893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.526054 (E_RNA)
where:
Base-Base interactions energy: -1494.583
where: short stacking energy: -640.225
Base-Backbone interact. energy: -0.396
local terms energy: -710.547688
where:
bonds (distance) C4'-P energy: -149.314
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -164.035
flat angles P-C4'-P energy: -109.524
tors. eta vs tors. theta energy: -160.653
Dist. restrs. and SS energy: 1.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2156.281408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.281408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.310445 (E_RNA)
where:
Base-Base interactions energy: -1442.425
where: short stacking energy: -660.971
Base-Backbone interact. energy: 0.506
local terms energy: -717.391211
where:
bonds (distance) C4'-P energy: -139.852
bonds (distance) P-C4' energy: -142.265
flat angles C4'-P-C4' energy: -153.231
flat angles P-C4'-P energy: -95.485
tors. eta vs tors. theta energy: -186.558
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: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2032.217078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.217078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.988183 (E_RNA)
where:
Base-Base interactions energy: -1373.847
where: short stacking energy: -596.287
Base-Backbone interact. energy: 0.206
local terms energy: -661.347250
where:
bonds (distance) C4'-P energy: -109.169
bonds (distance) P-C4' energy: -140.780
flat angles C4'-P-C4' energy: -146.607
flat angles P-C4'-P energy: -93.542
tors. eta vs tors. theta energy: -171.248
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: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1908.152775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.152775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.742461 (E_RNA)
where:
Base-Base interactions energy: -1302.726
where: short stacking energy: -529.145
Base-Backbone interact. energy: 0.171
local terms energy: -610.187623
where:
bonds (distance) C4'-P energy: -110.065
bonds (distance) P-C4' energy: -129.418
flat angles C4'-P-C4' energy: -148.824
flat angles P-C4'-P energy: -81.483
tors. eta vs tors. theta energy: -140.397
Dist. restrs. and SS energy: 4.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1825.109100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.109100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.670035 (E_RNA)
where:
Base-Base interactions energy: -1208.769
where: short stacking energy: -502.146
Base-Backbone interact. energy: -5.123
local terms energy: -617.777537
where:
bonds (distance) C4'-P energy: -123.086
bonds (distance) P-C4' energy: -118.462
flat angles C4'-P-C4' energy: -144.934
flat angles P-C4'-P energy: -88.669
tors. eta vs tors. theta energy: -142.627
Dist. restrs. and SS energy: 6.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2894.095994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.095994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.387011 (E_RNA)
where:
Base-Base interactions energy: -1980.830
where: short stacking energy: -859.362
Base-Backbone interact. energy: -1.058
local terms energy: -914.498989
where:
bonds (distance) C4'-P energy: -159.363
bonds (distance) P-C4' energy: -174.615
flat angles C4'-P-C4' energy: -185.135
flat angles P-C4'-P energy: -135.296
tors. eta vs tors. theta energy: -260.091
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2860.667747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.667747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.558371 (E_RNA)
where:
Base-Base interactions energy: -2032.138
where: short stacking energy: -836.329
Base-Backbone interact. energy: -2.792
local terms energy: -827.628661
where:
bonds (distance) C4'-P energy: -131.481
bonds (distance) P-C4' energy: -170.461
flat angles C4'-P-C4' energy: -164.209
flat angles P-C4'-P energy: -117.671
tors. eta vs tors. theta energy: -243.807
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: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2656.239475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.239475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.636637 (E_RNA)
where:
Base-Base interactions energy: -1825.262
where: short stacking energy: -778.424
Base-Backbone interact. energy: -2.086
local terms energy: -830.288249
where:
bonds (distance) C4'-P energy: -149.993
bonds (distance) P-C4' energy: -162.175
flat angles C4'-P-C4' energy: -174.845
flat angles P-C4'-P energy: -121.212
tors. eta vs tors. theta energy: -222.063
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: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2525.050992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.050992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.445866 (E_RNA)
where:
Base-Base interactions energy: -1764.521
where: short stacking energy: -734.785
Base-Backbone interact. energy: 7.770
local terms energy: -769.694857
where:
bonds (distance) C4'-P energy: -144.309
bonds (distance) P-C4' energy: -141.886
flat angles C4'-P-C4' energy: -161.477
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -213.515
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: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2329.143011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.143011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.482857 (E_RNA)
where:
Base-Base interactions energy: -1600.791
where: short stacking energy: -678.318
Base-Backbone interact. energy: -1.571
local terms energy: -728.120455
where:
bonds (distance) C4'-P energy: -113.235
bonds (distance) P-C4' energy: -150.529
flat angles C4'-P-C4' energy: -164.881
flat angles P-C4'-P energy: -117.317
tors. eta vs tors. theta energy: -182.159
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2187.211651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.211651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.016207 (E_RNA)
where:
Base-Base interactions energy: -1453.581
where: short stacking energy: -626.556
Base-Backbone interact. energy: 3.060
local terms energy: -739.495236
where:
bonds (distance) C4'-P energy: -137.475
bonds (distance) P-C4' energy: -151.126
flat angles C4'-P-C4' energy: -162.913
flat angles P-C4'-P energy: -103.149
tors. eta vs tors. theta energy: -184.831
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: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2146.660354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.660354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.583681 (E_RNA)
where:
Base-Base interactions energy: -1458.345
where: short stacking energy: -615.772
Base-Backbone interact. energy: -1.782
local terms energy: -689.456716
where:
bonds (distance) C4'-P energy: -127.713
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -147.274
flat angles P-C4'-P energy: -110.445
tors. eta vs tors. theta energy: -160.158
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2069.824876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.824876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.389646 (E_RNA)
where:
Base-Base interactions energy: -1385.795
where: short stacking energy: -551.449
Base-Backbone interact. energy: -0.498
local terms energy: -685.097384
where:
bonds (distance) C4'-P energy: -129.847
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -161.905
flat angles P-C4'-P energy: -102.227
tors. eta vs tors. theta energy: -151.235
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1959.485386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.485386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.696881 (E_RNA)
where:
Base-Base interactions energy: -1337.184
where: short stacking energy: -518.331
Base-Backbone interact. energy: -6.083
local terms energy: -618.429942
where:
bonds (distance) C4'-P energy: -140.922
bonds (distance) P-C4' energy: -135.640
flat angles C4'-P-C4' energy: -140.609
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -130.206
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: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1808.209532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.209532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.552948 (E_RNA)
where:
Base-Base interactions energy: -1216.933
where: short stacking energy: -511.612
Base-Backbone interact. energy: 0.103
local terms energy: -602.723500
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -153.673
flat angles P-C4'-P energy: -94.484
tors. eta vs tors. theta energy: -121.759
Dist. restrs. and SS energy: 11.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2907.497640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.497640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.063358 (E_RNA)
where:
Base-Base interactions energy: -2024.329
where: short stacking energy: -839.120
Base-Backbone interact. energy: -0.869
local terms energy: -883.865282
where:
bonds (distance) C4'-P energy: -154.893
bonds (distance) P-C4' energy: -161.257
flat angles C4'-P-C4' energy: -191.633
flat angles P-C4'-P energy: -122.337
tors. eta vs tors. theta energy: -253.745
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: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2857.871035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.871035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.465468 (E_RNA)
where:
Base-Base interactions energy: -2039.592
where: short stacking energy: -815.788
Base-Backbone interact. energy: 2.249
local terms energy: -823.121768
where:
bonds (distance) C4'-P energy: -154.464
bonds (distance) P-C4' energy: -160.091
flat angles C4'-P-C4' energy: -172.439
flat angles P-C4'-P energy: -104.150
tors. eta vs tors. theta energy: -231.977
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: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2731.044136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.044136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.795154 (E_RNA)
where:
Base-Base interactions energy: -1895.465
where: short stacking energy: -786.644
Base-Backbone interact. energy: -6.961
local terms energy: -830.368689
where:
bonds (distance) C4'-P energy: -157.989
bonds (distance) P-C4' energy: -150.653
flat angles C4'-P-C4' energy: -176.902
flat angles P-C4'-P energy: -113.662
tors. eta vs tors. theta energy: -231.162
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: 343
Temperature: 1.050000
Total energy: -2550.241170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.081687 (E_RNA)
where:
Base-Base interactions energy: -1745.445
where: short stacking energy: -720.540
Base-Backbone interact. energy: 3.230
local terms energy: -809.866805
where:
bonds (distance) C4'-P energy: -152.446
bonds (distance) P-C4' energy: -163.459
flat angles C4'-P-C4' energy: -159.892
flat angles P-C4'-P energy: -119.548
tors. eta vs tors. theta energy: -214.522
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2347.732071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.732071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.465905 (E_RNA)
where:
Base-Base interactions energy: -1607.627
where: short stacking energy: -698.589
Base-Backbone interact. energy: -1.942
local terms energy: -739.897254
where:
bonds (distance) C4'-P energy: -112.905
bonds (distance) P-C4' energy: -148.436
flat angles C4'-P-C4' energy: -179.405
flat angles P-C4'-P energy: -105.648
tors. eta vs tors. theta energy: -193.504
Dist. restrs. and SS energy: 1.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2188.720925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.720925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.958480 (E_RNA)
where:
Base-Base interactions energy: -1468.630
where: short stacking energy: -659.365
Base-Backbone interact. energy: -3.440
local terms energy: -718.888353
where:
bonds (distance) C4'-P energy: -137.893
bonds (distance) P-C4' energy: -134.898
flat angles C4'-P-C4' energy: -159.165
flat angles P-C4'-P energy: -97.960
tors. eta vs tors. theta energy: -188.972
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: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -2149.267415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.267415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.526861 (E_RNA)
where:
Base-Base interactions energy: -1475.200
where: short stacking energy: -613.817
Base-Backbone interact. energy: -4.596
local terms energy: -672.731073
where:
bonds (distance) C4'-P energy: -145.639
bonds (distance) P-C4' energy: -121.281
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -83.123
tors. eta vs tors. theta energy: -173.660
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2002.016246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.016246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.633711 (E_RNA)
where:
Base-Base interactions energy: -1333.024
where: short stacking energy: -564.280
Base-Backbone interact. energy: 0.769
local terms energy: -672.378356
where:
bonds (distance) C4'-P energy: -125.073
bonds (distance) P-C4' energy: -139.989
flat angles C4'-P-C4' energy: -160.160
flat angles P-C4'-P energy: -98.716
tors. eta vs tors. theta energy: -148.441
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: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1930.857799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.857799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.520005 (E_RNA)
where:
Base-Base interactions energy: -1326.789
where: short stacking energy: -546.431
Base-Backbone interact. energy: -0.429
local terms energy: -609.302369
where:
bonds (distance) C4'-P energy: -140.500
bonds (distance) P-C4' energy: -113.332
flat angles C4'-P-C4' energy: -149.287
flat angles P-C4'-P energy: -82.138
tors. eta vs tors. theta energy: -124.045
Dist. restrs. and SS energy: 5.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1832.075977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.075977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.291645 (E_RNA)
where:
Base-Base interactions energy: -1246.818
where: short stacking energy: -525.263
Base-Backbone interact. energy: -0.145
local terms energy: -592.328081
where:
bonds (distance) C4'-P energy: -134.110
bonds (distance) P-C4' energy: -134.936
flat angles C4'-P-C4' energy: -121.796
flat angles P-C4'-P energy: -83.347
tors. eta vs tors. theta energy: -118.138
Dist. restrs. and SS energy: 7.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2904.214456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.214456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.447194 (E_RNA)
where:
Base-Base interactions energy: -2027.992
where: short stacking energy: -836.709
Base-Backbone interact. energy: 0.634
local terms energy: -878.088970
where:
bonds (distance) C4'-P energy: -163.328
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -182.563
flat angles P-C4'-P energy: -134.006
tors. eta vs tors. theta energy: -249.560
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: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2850.465012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.465012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.410264 (E_RNA)
where:
Base-Base interactions energy: -1993.786
where: short stacking energy: -814.449
Base-Backbone interact. energy: 1.790
local terms energy: -859.414929
where:
bonds (distance) C4'-P energy: -172.222
bonds (distance) P-C4' energy: -156.286
flat angles C4'-P-C4' energy: -176.974
flat angles P-C4'-P energy: -114.105
tors. eta vs tors. theta energy: -239.828
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: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2706.161694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.161694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.974980 (E_RNA)
where:
Base-Base interactions energy: -1883.921
where: short stacking energy: -809.689
Base-Backbone interact. energy: 8.232
local terms energy: -832.285928
where:
bonds (distance) C4'-P energy: -149.831
bonds (distance) P-C4' energy: -145.793
flat angles C4'-P-C4' energy: -175.606
flat angles P-C4'-P energy: -110.328
tors. eta vs tors. theta energy: -250.728
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: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2549.251412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.251412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.721785 (E_RNA)
where:
Base-Base interactions energy: -1807.101
where: short stacking energy: -751.972
Base-Backbone interact. energy: -4.362
local terms energy: -740.258543
where:
bonds (distance) C4'-P energy: -136.125
bonds (distance) P-C4' energy: -133.302
flat angles C4'-P-C4' energy: -161.551
flat angles P-C4'-P energy: -98.356
tors. eta vs tors. theta energy: -210.925
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: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2336.669714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.669714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.631825 (E_RNA)
where:
Base-Base interactions energy: -1608.328
where: short stacking energy: -668.708
Base-Backbone interact. energy: -2.899
local terms energy: -727.405285
where:
bonds (distance) C4'-P energy: -140.799
bonds (distance) P-C4' energy: -127.135
flat angles C4'-P-C4' energy: -159.578
flat angles P-C4'-P energy: -88.548
tors. eta vs tors. theta energy: -211.345
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: 344
Temperature: 1.150000
Total energy: -2187.047567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.047567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.899543 (E_RNA)
where:
Base-Base interactions energy: -1487.834
where: short stacking energy: -654.781
Base-Backbone interact. energy: 1.558
local terms energy: -702.623128
where:
bonds (distance) C4'-P energy: -135.472
bonds (distance) P-C4' energy: -150.205
flat angles C4'-P-C4' energy: -145.807
flat angles P-C4'-P energy: -79.782
tors. eta vs tors. theta energy: -191.357
Dist. restrs. and SS energy: 1.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2136.945659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.945659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.841715 (E_RNA)
where:
Base-Base interactions energy: -1391.049
where: short stacking energy: -621.756
Base-Backbone interact. energy: 1.539
local terms energy: -752.331389
where:
bonds (distance) C4'-P energy: -144.285
bonds (distance) P-C4' energy: -144.160
flat angles C4'-P-C4' energy: -164.549
flat angles P-C4'-P energy: -118.711
tors. eta vs tors. theta energy: -180.627
Dist. restrs. and SS energy: 4.896 (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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2014.434727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.434727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.191543 (E_RNA)
where:
Base-Base interactions energy: -1349.942
where: short stacking energy: -579.283
Base-Backbone interact. energy: -3.160
local terms energy: -665.088874
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -145.071
flat angles C4'-P-C4' energy: -164.953
flat angles P-C4'-P energy: -82.116
tors. eta vs tors. theta energy: -152.288
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1939.664472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.664472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.281499 (E_RNA)
where:
Base-Base interactions energy: -1324.345
where: short stacking energy: -550.053
Base-Backbone interact. energy: 2.530
local terms energy: -622.466616
where:
bonds (distance) C4'-P energy: -107.225
bonds (distance) P-C4' energy: -134.453
flat angles C4'-P-C4' energy: -151.731
flat angles P-C4'-P energy: -76.926
tors. eta vs tors. theta energy: -152.133
Dist. restrs. and SS energy: 4.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1808.806418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.806418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.793661 (E_RNA)
where:
Base-Base interactions energy: -1226.128
where: short stacking energy: -503.133
Base-Backbone interact. energy: 2.394
local terms energy: -593.059720
where:
bonds (distance) C4'-P energy: -118.019
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -146.943
flat angles P-C4'-P energy: -80.220
tors. eta vs tors. theta energy: -128.502
Dist. restrs. and SS energy: 7.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2890.709336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.709336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.548934 (E_RNA)
where:
Base-Base interactions energy: -1992.265
where: short stacking energy: -848.391
Base-Backbone interact. energy: -5.620
local terms energy: -894.663920
where:
bonds (distance) C4'-P energy: -163.719
bonds (distance) P-C4' energy: -160.916
flat angles C4'-P-C4' energy: -189.362
flat angles P-C4'-P energy: -130.417
tors. eta vs tors. theta energy: -250.250
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: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2846.110898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.110898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.884432 (E_RNA)
where:
Base-Base interactions energy: -2021.075
where: short stacking energy: -817.683
Base-Backbone interact. energy: 5.348
local terms energy: -833.157241
where:
bonds (distance) C4'-P energy: -149.264
bonds (distance) P-C4' energy: -154.010
flat angles C4'-P-C4' energy: -183.561
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -232.904
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: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2658.214176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.214176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.901562 (E_RNA)
where:
Base-Base interactions energy: -1819.656
where: short stacking energy: -749.311
Base-Backbone interact. energy: -1.612
local terms energy: -838.633672
where:
bonds (distance) C4'-P energy: -166.335
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -179.162
flat angles P-C4'-P energy: -118.739
tors. eta vs tors. theta energy: -220.435
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2575.892960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.892960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.432192 (E_RNA)
where:
Base-Base interactions energy: -1771.794
where: short stacking energy: -725.376
Base-Backbone interact. energy: -3.515
local terms energy: -802.122940
where:
bonds (distance) C4'-P energy: -172.576
bonds (distance) P-C4' energy: -148.641
flat angles C4'-P-C4' energy: -160.594
flat angles P-C4'-P energy: -116.147
tors. eta vs tors. theta energy: -204.166
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: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2346.497834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.497834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.155881 (E_RNA)
where:
Base-Base interactions energy: -1601.174
where: short stacking energy: -701.596
Base-Backbone interact. energy: -2.880
local terms energy: -744.102311
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -145.533
flat angles C4'-P-C4' energy: -167.254
flat angles P-C4'-P energy: -91.193
tors. eta vs tors. theta energy: -193.888
Dist. restrs. and SS energy: 1.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2230.867445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.867445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.867347 (E_RNA)
where:
Base-Base interactions energy: -1538.846
where: short stacking energy: -686.293
Base-Backbone interact. energy: -2.114
local terms energy: -691.907679
where:
bonds (distance) C4'-P energy: -107.178
bonds (distance) P-C4' energy: -131.929
flat angles C4'-P-C4' energy: -161.036
flat angles P-C4'-P energy: -91.657
tors. eta vs tors. theta energy: -200.108
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: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2129.057543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.057543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.346999 (E_RNA)
where:
Base-Base interactions energy: -1446.893
where: short stacking energy: -634.861
Base-Backbone interact. energy: 9.423
local terms energy: -693.876972
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -130.205
flat angles C4'-P-C4' energy: -153.912
flat angles P-C4'-P energy: -100.949
tors. eta vs tors. theta energy: -163.976
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1988.608300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.608300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.153786 (E_RNA)
where:
Base-Base interactions energy: -1348.102
where: short stacking energy: -573.613
Base-Backbone interact. energy: 2.510
local terms energy: -644.562094
where:
bonds (distance) C4'-P energy: -123.278
bonds (distance) P-C4' energy: -159.920
flat angles C4'-P-C4' energy: -128.001
flat angles P-C4'-P energy: -87.562
tors. eta vs tors. theta energy: -145.801
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1947.206670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.206670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.840352 (E_RNA)
where:
Base-Base interactions energy: -1294.971
where: short stacking energy: -539.213
Base-Backbone interact. energy: -1.648
local terms energy: -655.221550
where:
bonds (distance) C4'-P energy: -135.076
bonds (distance) P-C4' energy: -142.604
flat angles C4'-P-C4' energy: -144.022
flat angles P-C4'-P energy: -100.811
tors. eta vs tors. theta energy: -132.708
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: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1766.165317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.165317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.339951 (E_RNA)
where:
Base-Base interactions energy: -1180.183
where: short stacking energy: -509.242
Base-Backbone interact. energy: 1.481
local terms energy: -596.637862
where:
bonds (distance) C4'-P energy: -109.073
bonds (distance) P-C4' energy: -132.845
flat angles C4'-P-C4' energy: -134.717
flat angles P-C4'-P energy: -86.559
tors. eta vs tors. theta energy: -133.444
Dist. restrs. and SS energy: 9.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2865.784322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.784322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.460518 (E_RNA)
where:
Base-Base interactions energy: -2001.939
where: short stacking energy: -834.737
Base-Backbone interact. energy: -3.621
local terms energy: -861.900144
where:
bonds (distance) C4'-P energy: -157.010
bonds (distance) P-C4' energy: -156.959
flat angles C4'-P-C4' energy: -186.471
flat angles P-C4'-P energy: -116.407
tors. eta vs tors. theta energy: -245.053
Dist. restrs. and SS energy: 1.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2846.800569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2849.364496 (E_RNA)
where:
Base-Base interactions energy: -2004.077
where: short stacking energy: -811.847
Base-Backbone interact. energy: -0.847
local terms energy: -844.440939
where:
bonds (distance) C4'-P energy: -148.968
bonds (distance) P-C4' energy: -170.013
flat angles C4'-P-C4' energy: -172.644
flat angles P-C4'-P energy: -122.578
tors. eta vs tors. theta energy: -230.238
Dist. restrs. and SS energy: 2.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2668.126990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.126990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.762308 (E_RNA)
where:
Base-Base interactions energy: -1861.375
where: short stacking energy: -802.013
Base-Backbone interact. energy: -2.080
local terms energy: -807.307417
where:
bonds (distance) C4'-P energy: -150.875
bonds (distance) P-C4' energy: -140.591
flat angles C4'-P-C4' energy: -174.065
flat angles P-C4'-P energy: -107.721
tors. eta vs tors. theta energy: -234.055
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: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2626.173406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.173406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.814204 (E_RNA)
where:
Base-Base interactions energy: -1811.907
where: short stacking energy: -767.749
Base-Backbone interact. energy: -0.787
local terms energy: -816.120220
where:
bonds (distance) C4'-P energy: -157.621
bonds (distance) P-C4' energy: -143.920
flat angles C4'-P-C4' energy: -180.821
flat angles P-C4'-P energy: -105.770
tors. eta vs tors. theta energy: -227.988
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2355.708315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.708315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.093001 (E_RNA)
where:
Base-Base interactions energy: -1609.742
where: short stacking energy: -694.401
Base-Backbone interact. energy: -1.705
local terms energy: -746.646273
where:
bonds (distance) C4'-P energy: -135.774
bonds (distance) P-C4' energy: -150.803
flat angles C4'-P-C4' energy: -167.362
flat angles P-C4'-P energy: -108.813
tors. eta vs tors. theta energy: -183.893
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: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2220.185643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.185643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.122729 (E_RNA)
where:
Base-Base interactions energy: -1502.662
where: short stacking energy: -624.415
Base-Backbone interact. energy: 1.213
local terms energy: -720.673515
where:
bonds (distance) C4'-P energy: -153.634
bonds (distance) P-C4' energy: -129.085
flat angles C4'-P-C4' energy: -156.078
flat angles P-C4'-P energy: -100.854
tors. eta vs tors. theta energy: -181.024
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: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2156.908313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.908313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.037764 (E_RNA)
where:
Base-Base interactions energy: -1478.533
where: short stacking energy: -639.363
Base-Backbone interact. energy: 4.118
local terms energy: -684.623512
where:
bonds (distance) C4'-P energy: -134.356
bonds (distance) P-C4' energy: -137.075
flat angles C4'-P-C4' energy: -133.425
flat angles P-C4'-P energy: -103.617
tors. eta vs tors. theta energy: -176.151
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2028.620459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.620459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.801172 (E_RNA)
where:
Base-Base interactions energy: -1370.673
where: short stacking energy: -594.176
Base-Backbone interact. energy: -3.431
local terms energy: -657.696906
where:
bonds (distance) C4'-P energy: -123.565
bonds (distance) P-C4' energy: -142.957
flat angles C4'-P-C4' energy: -147.345
flat angles P-C4'-P energy: -104.762
tors. eta vs tors. theta energy: -139.068
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: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1928.185826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.185826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.022818 (E_RNA)
where:
Base-Base interactions energy: -1298.082
where: short stacking energy: -525.809
Base-Backbone interact. energy: 2.430
local terms energy: -634.370576
where:
bonds (distance) C4'-P energy: -128.154
bonds (distance) P-C4' energy: -131.917
flat angles C4'-P-C4' energy: -161.128
flat angles P-C4'-P energy: -84.717
tors. eta vs tors. theta energy: -128.455
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: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -1853.181091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.181091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.950369 (E_RNA)
where:
Base-Base interactions energy: -1273.369
where: short stacking energy: -539.653
Base-Backbone interact. energy: 1.903
local terms energy: -586.484332
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -133.129
flat angles C4'-P-C4' energy: -126.022
flat angles P-C4'-P energy: -79.261
tors. eta vs tors. theta energy: -142.410
Dist. restrs. and SS energy: 4.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2880.649741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.649741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.744368 (E_RNA)
where:
Base-Base interactions energy: -1981.832
where: short stacking energy: -832.199
Base-Backbone interact. energy: -5.381
local terms energy: -894.531744
where:
bonds (distance) C4'-P energy: -166.160
bonds (distance) P-C4' energy: -166.504
flat angles C4'-P-C4' energy: -190.677
flat angles P-C4'-P energy: -119.025
tors. eta vs tors. theta energy: -252.165
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2820.950718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.950718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.666611 (E_RNA)
where:
Base-Base interactions energy: -1985.880
where: short stacking energy: -812.443
Base-Backbone interact. energy: -1.862
local terms energy: -833.924506
where:
bonds (distance) C4'-P energy: -170.628
bonds (distance) P-C4' energy: -148.649
flat angles C4'-P-C4' energy: -178.202
flat angles P-C4'-P energy: -111.281
tors. eta vs tors. theta energy: -225.164
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2665.284163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.284163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.139528 (E_RNA)
where:
Base-Base interactions energy: -1817.282
where: short stacking energy: -772.337
Base-Backbone interact. energy: -1.587
local terms energy: -849.271065
where:
bonds (distance) C4'-P energy: -154.749
bonds (distance) P-C4' energy: -158.893
flat angles C4'-P-C4' energy: -185.342
flat angles P-C4'-P energy: -115.727
tors. eta vs tors. theta energy: -234.560
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2576.879444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.879444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.702425 (E_RNA)
where:
Base-Base interactions energy: -1790.686
where: short stacking energy: -733.609
Base-Backbone interact. energy: -0.424
local terms energy: -787.592152
where:
bonds (distance) C4'-P energy: -148.354
bonds (distance) P-C4' energy: -141.839
flat angles C4'-P-C4' energy: -165.310
flat angles P-C4'-P energy: -108.766
tors. eta vs tors. theta energy: -223.323
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: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2357.790123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.790123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.187093 (E_RNA)
where:
Base-Base interactions energy: -1594.500
where: short stacking energy: -670.492
Base-Backbone interact. energy: -1.289
local terms energy: -765.398386
where:
bonds (distance) C4'-P energy: -148.476
bonds (distance) P-C4' energy: -141.991
flat angles C4'-P-C4' energy: -177.315
flat angles P-C4'-P energy: -114.259
tors. eta vs tors. theta energy: -183.357
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: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2279.942668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.942668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.558570 (E_RNA)
where:
Base-Base interactions energy: -1536.107
where: short stacking energy: -693.006
Base-Backbone interact. energy: 1.418
local terms energy: -747.869771
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -146.931
flat angles C4'-P-C4' energy: -180.360
flat angles P-C4'-P energy: -97.776
tors. eta vs tors. theta energy: -195.172
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: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2129.605004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.605004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.779723 (E_RNA)
where:
Base-Base interactions energy: -1417.889
where: short stacking energy: -612.044
Base-Backbone interact. energy: 0.613
local terms energy: -715.502925
where:
bonds (distance) C4'-P energy: -137.227
bonds (distance) P-C4' energy: -158.382
flat angles C4'-P-C4' energy: -157.494
flat angles P-C4'-P energy: -89.877
tors. eta vs tors. theta energy: -172.523
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: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2053.891885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.891885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.559206 (E_RNA)
where:
Base-Base interactions energy: -1399.099
where: short stacking energy: -578.419
Base-Backbone interact. energy: -0.239
local terms energy: -658.221287
where:
bonds (distance) C4'-P energy: -117.657
bonds (distance) P-C4' energy: -152.479
flat angles C4'-P-C4' energy: -146.620
flat angles P-C4'-P energy: -87.196
tors. eta vs tors. theta energy: -154.269
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: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1982.327819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.327819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.880114 (E_RNA)
where:
Base-Base interactions energy: -1335.874
where: short stacking energy: -578.625
Base-Backbone interact. energy: -1.531
local terms energy: -646.475398
where:
bonds (distance) C4'-P energy: -121.564
bonds (distance) P-C4' energy: -134.759
flat angles C4'-P-C4' energy: -146.957
flat angles P-C4'-P energy: -95.690
tors. eta vs tors. theta energy: -147.506
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: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -1892.744940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.744940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.109676 (E_RNA)
where:
Base-Base interactions energy: -1252.179
where: short stacking energy: -546.936
Base-Backbone interact. energy: -0.729
local terms energy: -649.202141
where:
bonds (distance) C4'-P energy: -133.125
bonds (distance) P-C4' energy: -139.100
flat angles C4'-P-C4' energy: -157.129
flat angles P-C4'-P energy: -86.261
tors. eta vs tors. theta energy: -133.587
Dist. restrs. and SS energy: 9.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2935.160902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.160902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.260783 (E_RNA)
where:
Base-Base interactions energy: -2042.931
where: short stacking energy: -838.487
Base-Backbone interact. energy: 1.939
local terms energy: -896.268737
where:
bonds (distance) C4'-P energy: -163.502
bonds (distance) P-C4' energy: -172.367
flat angles C4'-P-C4' energy: -175.413
flat angles P-C4'-P energy: -140.711
tors. eta vs tors. theta energy: -244.275
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: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2862.289095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2862.289095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2862.963403 (E_RNA)
where:
Base-Base interactions energy: -2005.198
where: short stacking energy: -845.938
Base-Backbone interact. energy: -1.427
local terms energy: -856.337851
where:
bonds (distance) C4'-P energy: -150.470
bonds (distance) P-C4' energy: -160.367
flat angles C4'-P-C4' energy: -185.923
flat angles P-C4'-P energy: -113.645
tors. eta vs tors. theta energy: -245.933
Dist. restrs. and SS energy: 0.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2669.497799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.497799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.903130 (E_RNA)
where:
Base-Base interactions energy: -1846.124
where: short stacking energy: -792.476
Base-Backbone interact. energy: -4.474
local terms energy: -820.305648
where:
bonds (distance) C4'-P energy: -148.092
bonds (distance) P-C4' energy: -147.335
flat angles C4'-P-C4' energy: -178.833
flat angles P-C4'-P energy: -105.133
tors. eta vs tors. theta energy: -240.912
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: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2561.044012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.044012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.718212 (E_RNA)
where:
Base-Base interactions energy: -1776.979
where: short stacking energy: -729.550
Base-Backbone interact. energy: 2.017
local terms energy: -787.756712
where:
bonds (distance) C4'-P energy: -160.642
bonds (distance) P-C4' energy: -129.971
flat angles C4'-P-C4' energy: -174.851
flat angles P-C4'-P energy: -106.427
tors. eta vs tors. theta energy: -215.866
Dist. restrs. and SS energy: 1.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2324.214532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.214532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.364187 (E_RNA)
where:
Base-Base interactions energy: -1596.713
where: short stacking energy: -675.385
Base-Backbone interact. energy: -0.439
local terms energy: -728.212301
where:
bonds (distance) C4'-P energy: -117.310
bonds (distance) P-C4' energy: -138.032
flat angles C4'-P-C4' energy: -162.936
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -204.371
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: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2201.757816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.757816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.089213 (E_RNA)
where:
Base-Base interactions energy: -1471.431
where: short stacking energy: -633.902
Base-Backbone interact. energy: -0.709
local terms energy: -730.948941
where:
bonds (distance) C4'-P energy: -130.449
bonds (distance) P-C4' energy: -150.497
flat angles C4'-P-C4' energy: -167.074
flat angles P-C4'-P energy: -95.996
tors. eta vs tors. theta energy: -186.933
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2145.575670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.575670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.289744 (E_RNA)
where:
Base-Base interactions energy: -1471.978
where: short stacking energy: -621.183
Base-Backbone interact. energy: 0.227
local terms energy: -676.539193
where:
bonds (distance) C4'-P energy: -141.077
bonds (distance) P-C4' energy: -129.414
flat angles C4'-P-C4' energy: -143.953
flat angles P-C4'-P energy: -110.659
tors. eta vs tors. theta energy: -151.435
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2056.248288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.248288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.553092 (E_RNA)
where:
Base-Base interactions energy: -1388.290
where: short stacking energy: -600.331
Base-Backbone interact. energy: 6.129
local terms energy: -677.391567
where:
bonds (distance) C4'-P energy: -134.090
bonds (distance) P-C4' energy: -143.448
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -84.666
tors. eta vs tors. theta energy: -190.489
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: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1958.136161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.136161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.518550 (E_RNA)
where:
Base-Base interactions energy: -1371.721
where: short stacking energy: -579.229
Base-Backbone interact. energy: -1.308
local terms energy: -587.489760
where:
bonds (distance) C4'-P energy: -103.785
bonds (distance) P-C4' energy: -140.020
flat angles C4'-P-C4' energy: -140.877
flat angles P-C4'-P energy: -67.368
tors. eta vs tors. theta energy: -135.441
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -1870.575531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.575531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.240136 (E_RNA)
where:
Base-Base interactions energy: -1267.538
where: short stacking energy: -521.000
Base-Backbone interact. energy: 1.195
local terms energy: -606.897502
where:
bonds (distance) C4'-P energy: -130.274
bonds (distance) P-C4' energy: -118.306
flat angles C4'-P-C4' energy: -142.982
flat angles P-C4'-P energy: -82.798
tors. eta vs tors. theta energy: -132.537
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2912.928356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.928356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.365120 (E_RNA)
where:
Base-Base interactions energy: -2047.720
where: short stacking energy: -827.940
Base-Backbone interact. energy: 2.015
local terms energy: -870.660157
where:
bonds (distance) C4'-P energy: -148.886
bonds (distance) P-C4' energy: -156.614
flat angles C4'-P-C4' energy: -195.684
flat angles P-C4'-P energy: -124.585
tors. eta vs tors. theta energy: -244.891
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2820.607174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.607174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.876328 (E_RNA)
where:
Base-Base interactions energy: -1967.301
where: short stacking energy: -816.890
Base-Backbone interact. energy: -2.745
local terms energy: -851.830195
where:
bonds (distance) C4'-P energy: -137.212
bonds (distance) P-C4' energy: -153.574
flat angles C4'-P-C4' energy: -184.390
flat angles P-C4'-P energy: -136.775
tors. eta vs tors. theta energy: -239.880
Dist. restrs. and SS energy: 1.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2673.958307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.958307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.460352 (E_RNA)
where:
Base-Base interactions energy: -1889.067
where: short stacking energy: -772.802
Base-Backbone interact. energy: 1.337
local terms energy: -788.729913
where:
bonds (distance) C4'-P energy: -153.386
bonds (distance) P-C4' energy: -136.603
flat angles C4'-P-C4' energy: -155.263
flat angles P-C4'-P energy: -114.325
tors. eta vs tors. theta energy: -229.153
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: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2575.838722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.316527 (E_RNA)
where:
Base-Base interactions energy: -1771.166
where: short stacking energy: -724.055
Base-Backbone interact. energy: -2.499
local terms energy: -803.651273
where:
bonds (distance) C4'-P energy: -146.488
bonds (distance) P-C4' energy: -168.983
flat angles C4'-P-C4' energy: -167.096
flat angles P-C4'-P energy: -113.394
tors. eta vs tors. theta energy: -207.691
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2360.622171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.622171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.733932 (E_RNA)
where:
Base-Base interactions energy: -1632.381
where: short stacking energy: -689.068
Base-Backbone interact. energy: -4.364
local terms energy: -725.988701
where:
bonds (distance) C4'-P energy: -138.438
bonds (distance) P-C4' energy: -126.946
flat angles C4'-P-C4' energy: -165.060
flat angles P-C4'-P energy: -108.243
tors. eta vs tors. theta energy: -187.301
Dist. restrs. and SS energy: 2.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2216.815653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.815653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.127966 (E_RNA)
where:
Base-Base interactions energy: -1511.506
where: short stacking energy: -652.232
Base-Backbone interact. energy: -1.644
local terms energy: -706.977628
where:
bonds (distance) C4'-P energy: -134.182
bonds (distance) P-C4' energy: -131.264
flat angles C4'-P-C4' energy: -164.189
flat angles P-C4'-P energy: -101.538
tors. eta vs tors. theta energy: -175.804
Dist. restrs. and SS energy: 3.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2144.303968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.303968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.799092 (E_RNA)
where:
Base-Base interactions energy: -1459.310
where: short stacking energy: -639.834
Base-Backbone interact. energy: 0.584
local terms energy: -687.072967
where:
bonds (distance) C4'-P energy: -139.132
bonds (distance) P-C4' energy: -134.799
flat angles C4'-P-C4' energy: -156.715
flat angles P-C4'-P energy: -87.943
tors. eta vs tors. theta energy: -168.484
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: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2089.258140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.258140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.207026 (E_RNA)
where:
Base-Base interactions energy: -1438.796
where: short stacking energy: -626.665
Base-Backbone interact. energy: -3.851
local terms energy: -650.559325
where:
bonds (distance) C4'-P energy: -116.236
bonds (distance) P-C4' energy: -138.557
flat angles C4'-P-C4' energy: -142.814
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -164.386
Dist. restrs. and SS energy: 3.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1940.573137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.573137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.645193 (E_RNA)
where:
Base-Base interactions energy: -1305.486
where: short stacking energy: -564.297
Base-Backbone interact. energy: 2.868
local terms energy: -643.028010
where:
bonds (distance) C4'-P energy: -117.019
bonds (distance) P-C4' energy: -117.734
flat angles C4'-P-C4' energy: -150.649
flat angles P-C4'-P energy: -104.714
tors. eta vs tors. theta energy: -152.912
Dist. restrs. and SS energy: 5.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1893.226763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.226763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.887478 (E_RNA)
where:
Base-Base interactions energy: -1259.930
where: short stacking energy: -537.707
Base-Backbone interact. energy: 1.364
local terms energy: -638.321799
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -128.855
flat angles C4'-P-C4' energy: -154.138
flat angles P-C4'-P energy: -90.328
tors. eta vs tors. theta energy: -127.699
Dist. restrs. and SS energy: 3.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2934.069961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.069961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.317832 (E_RNA)
where:
Base-Base interactions energy: -2065.880
where: short stacking energy: -852.451
Base-Backbone interact. energy: -2.697
local terms energy: -867.740941
where:
bonds (distance) C4'-P energy: -158.668
bonds (distance) P-C4' energy: -168.291
flat angles C4'-P-C4' energy: -179.154
flat angles P-C4'-P energy: -121.371
tors. eta vs tors. theta energy: -240.257
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: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2814.276417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.276417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.331079 (E_RNA)
where:
Base-Base interactions energy: -1941.965
where: short stacking energy: -813.312
Base-Backbone interact. energy: -0.758
local terms energy: -873.607777
where:
bonds (distance) C4'-P energy: -164.276
bonds (distance) P-C4' energy: -157.694
flat angles C4'-P-C4' energy: -189.372
flat angles P-C4'-P energy: -122.457
tors. eta vs tors. theta energy: -239.809
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: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2665.557120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.557120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.043402 (E_RNA)
where:
Base-Base interactions energy: -1844.233
where: short stacking energy: -791.011
Base-Backbone interact. energy: -0.293
local terms energy: -822.516562
where:
bonds (distance) C4'-P energy: -149.084
bonds (distance) P-C4' energy: -147.553
flat angles C4'-P-C4' energy: -182.211
flat angles P-C4'-P energy: -103.165
tors. eta vs tors. theta energy: -240.504
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2540.267420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.267420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.498132 (E_RNA)
where:
Base-Base interactions energy: -1745.513
where: short stacking energy: -742.313
Base-Backbone interact. energy: -1.152
local terms energy: -795.832788
where:
bonds (distance) C4'-P energy: -145.889
bonds (distance) P-C4' energy: -156.837
flat angles C4'-P-C4' energy: -164.885
flat angles P-C4'-P energy: -106.552
tors. eta vs tors. theta energy: -221.669
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2373.326271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.326271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.775869 (E_RNA)
where:
Base-Base interactions energy: -1606.935
where: short stacking energy: -691.535
Base-Backbone interact. energy: 0.682
local terms energy: -768.522697
where:
bonds (distance) C4'-P energy: -146.460
bonds (distance) P-C4' energy: -151.258
flat angles C4'-P-C4' energy: -160.156
flat angles P-C4'-P energy: -116.711
tors. eta vs tors. theta energy: -193.938
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: 350
Temperature: 1.150000
Total energy: -2218.866363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.866363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.272240 (E_RNA)
where:
Base-Base interactions energy: -1500.186
where: short stacking energy: -655.241
Base-Backbone interact. energy: -2.982
local terms energy: -718.104411
where:
bonds (distance) C4'-P energy: -130.104
bonds (distance) P-C4' energy: -148.475
flat angles C4'-P-C4' energy: -158.420
flat angles P-C4'-P energy: -103.385
tors. eta vs tors. theta energy: -177.721
Dist. restrs. and SS energy: 2.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2158.999757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.999757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.579814 (E_RNA)
where:
Base-Base interactions energy: -1478.296
where: short stacking energy: -626.606
Base-Backbone interact. energy: -2.670
local terms energy: -680.613755
where:
bonds (distance) C4'-P energy: -138.733
bonds (distance) P-C4' energy: -131.756
flat angles C4'-P-C4' energy: -150.651
flat angles P-C4'-P energy: -98.392
tors. eta vs tors. theta energy: -161.082
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -2073.875378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.875378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.347252 (E_RNA)
where:
Base-Base interactions energy: -1401.175
where: short stacking energy: -576.646
Base-Backbone interact. energy: -0.653
local terms energy: -674.519047
where:
bonds (distance) C4'-P energy: -135.353
bonds (distance) P-C4' energy: -130.330
flat angles C4'-P-C4' energy: -154.705
flat angles P-C4'-P energy: -78.717
tors. eta vs tors. theta energy: -175.414
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: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1975.814670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.814670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.501403 (E_RNA)
where:
Base-Base interactions energy: -1345.062
where: short stacking energy: -579.459
Base-Backbone interact. energy: 1.412
local terms energy: -634.851641
where:
bonds (distance) C4'-P energy: -123.600
bonds (distance) P-C4' energy: -133.138
flat angles C4'-P-C4' energy: -134.555
flat angles P-C4'-P energy: -84.189
tors. eta vs tors. theta energy: -159.371
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: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1825.926178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.926178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.569351 (E_RNA)
where:
Base-Base interactions energy: -1242.540
where: short stacking energy: -498.046
Base-Backbone interact. energy: 2.835
local terms energy: -593.863595
where:
bonds (distance) C4'-P energy: -114.852
bonds (distance) P-C4' energy: -138.983
flat angles C4'-P-C4' energy: -132.414
flat angles P-C4'-P energy: -81.278
tors. eta vs tors. theta energy: -126.336
Dist. restrs. and SS energy: 7.643 (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: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2927.547935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.547935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.824552 (E_RNA)
where:
Base-Base interactions energy: -2049.433
where: short stacking energy: -827.985
Base-Backbone interact. energy: 3.855
local terms energy: -884.246304
where:
bonds (distance) C4'-P energy: -150.561
bonds (distance) P-C4' energy: -169.091
flat angles C4'-P-C4' energy: -184.603
flat angles P-C4'-P energy: -132.874
tors. eta vs tors. theta energy: -247.117
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: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2833.139274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.139274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.148947 (E_RNA)
where:
Base-Base interactions energy: -1966.497
where: short stacking energy: -841.671
Base-Backbone interact. energy: -1.004
local terms energy: -867.648216
where:
bonds (distance) C4'-P energy: -149.040
bonds (distance) P-C4' energy: -153.159
flat angles C4'-P-C4' energy: -184.011
flat angles P-C4'-P energy: -127.123
tors. eta vs tors. theta energy: -254.315
Dist. restrs. and SS energy: 2.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2686.958292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.958292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.074262 (E_RNA)
where:
Base-Base interactions energy: -1859.308
where: short stacking energy: -794.112
Base-Backbone interact. energy: -2.264
local terms energy: -827.501892
where:
bonds (distance) C4'-P energy: -146.511
bonds (distance) P-C4' energy: -157.828
flat angles C4'-P-C4' energy: -179.705
flat angles P-C4'-P energy: -116.112
tors. eta vs tors. theta energy: -227.346
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: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2534.769359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.769359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.813299 (E_RNA)
where:
Base-Base interactions energy: -1752.665
where: short stacking energy: -741.588
Base-Backbone interact. energy: -3.908
local terms energy: -779.240338
where:
bonds (distance) C4'-P energy: -155.234
bonds (distance) P-C4' energy: -148.987
flat angles C4'-P-C4' energy: -159.380
flat angles P-C4'-P energy: -104.432
tors. eta vs tors. theta energy: -211.207
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: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2407.693288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.693288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.387146 (E_RNA)
where:
Base-Base interactions energy: -1643.031
where: short stacking energy: -700.661
Base-Backbone interact. energy: -3.078
local terms energy: -764.278532
where:
bonds (distance) C4'-P energy: -151.889
bonds (distance) P-C4' energy: -151.575
flat angles C4'-P-C4' energy: -165.046
flat angles P-C4'-P energy: -97.939
tors. eta vs tors. theta energy: -197.829
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: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2181.248380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.248380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.424166 (E_RNA)
where:
Base-Base interactions energy: -1468.026
where: short stacking energy: -659.146
Base-Backbone interact. energy: 0.609
local terms energy: -717.007027
where:
bonds (distance) C4'-P energy: -161.202
bonds (distance) P-C4' energy: -142.973
flat angles C4'-P-C4' energy: -136.107
flat angles P-C4'-P energy: -105.678
tors. eta vs tors. theta energy: -171.047
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: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2121.514027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.514027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.359961 (E_RNA)
where:
Base-Base interactions energy: -1439.448
where: short stacking energy: -629.571
Base-Backbone interact. energy: 0.304
local terms energy: -684.215814
where:
bonds (distance) C4'-P energy: -136.154
bonds (distance) P-C4' energy: -134.378
flat angles C4'-P-C4' energy: -147.469
flat angles P-C4'-P energy: -97.385
tors. eta vs tors. theta energy: -168.830
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: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2066.455951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.455951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.936064 (E_RNA)
where:
Base-Base interactions energy: -1386.869
where: short stacking energy: -589.902
Base-Backbone interact. energy: -1.250
local terms energy: -680.817427
where:
bonds (distance) C4'-P energy: -136.522
bonds (distance) P-C4' energy: -128.964
flat angles C4'-P-C4' energy: -151.580
flat angles P-C4'-P energy: -113.831
tors. eta vs tors. theta energy: -149.920
Dist. restrs. and SS energy: 2.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1976.186628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.186628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.847566 (E_RNA)
where:
Base-Base interactions energy: -1335.531
where: short stacking energy: -564.527
Base-Backbone interact. energy: 2.496
local terms energy: -645.812429
where:
bonds (distance) C4'-P energy: -134.905
bonds (distance) P-C4' energy: -151.066
flat angles C4'-P-C4' energy: -130.205
flat angles P-C4'-P energy: -96.464
tors. eta vs tors. theta energy: -133.172
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: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1845.694118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.694118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.482671 (E_RNA)
where:
Base-Base interactions energy: -1266.871
where: short stacking energy: -535.126
Base-Backbone interact. energy: 0.415
local terms energy: -585.027320
where:
bonds (distance) C4'-P energy: -136.817
bonds (distance) P-C4' energy: -115.442
flat angles C4'-P-C4' energy: -129.082
flat angles P-C4'-P energy: -76.744
tors. eta vs tors. theta energy: -126.943
Dist. restrs. and SS energy: 5.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2931.154519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.154519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.425353 (E_RNA)
where:
Base-Base interactions energy: -2044.893
where: short stacking energy: -857.241
Base-Backbone interact. energy: -3.837
local terms energy: -884.694966
where:
bonds (distance) C4'-P energy: -158.160
bonds (distance) P-C4' energy: -164.330
flat angles C4'-P-C4' energy: -185.393
flat angles P-C4'-P energy: -125.978
tors. eta vs tors. theta energy: -250.835
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: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2814.519428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.519428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.334172 (E_RNA)
where:
Base-Base interactions energy: -1974.412
where: short stacking energy: -857.081
Base-Backbone interact. energy: -4.787
local terms energy: -838.135317
where:
bonds (distance) C4'-P energy: -136.171
bonds (distance) P-C4' energy: -159.640
flat angles C4'-P-C4' energy: -177.960
flat angles P-C4'-P energy: -115.615
tors. eta vs tors. theta energy: -248.749
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: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2678.654249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.654249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.718262 (E_RNA)
where:
Base-Base interactions energy: -1865.612
where: short stacking energy: -771.190
Base-Backbone interact. energy: -3.706
local terms energy: -811.400438
where:
bonds (distance) C4'-P energy: -153.922
bonds (distance) P-C4' energy: -153.552
flat angles C4'-P-C4' energy: -180.328
flat angles P-C4'-P energy: -107.165
tors. eta vs tors. theta energy: -216.433
Dist. restrs. and SS energy: 2.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2535.877461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.877461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.409755 (E_RNA)
where:
Base-Base interactions energy: -1739.971
where: short stacking energy: -740.762
Base-Backbone interact. energy: -3.847
local terms energy: -794.591575
where:
bonds (distance) C4'-P energy: -151.539
bonds (distance) P-C4' energy: -142.972
flat angles C4'-P-C4' energy: -168.692
flat angles P-C4'-P energy: -118.295
tors. eta vs tors. theta energy: -213.093
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2418.571378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.571378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.675279 (E_RNA)
where:
Base-Base interactions energy: -1668.573
where: short stacking energy: -715.571
Base-Backbone interact. energy: -0.448
local terms energy: -751.654675
where:
bonds (distance) C4'-P energy: -120.606
bonds (distance) P-C4' energy: -142.234
flat angles C4'-P-C4' energy: -182.704
flat angles P-C4'-P energy: -105.577
tors. eta vs tors. theta energy: -200.533
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: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2206.865952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.865952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.439301 (E_RNA)
where:
Base-Base interactions energy: -1468.044
where: short stacking energy: -640.211
Base-Backbone interact. energy: 8.078
local terms energy: -748.472583
where:
bonds (distance) C4'-P energy: -142.558
bonds (distance) P-C4' energy: -150.620
flat angles C4'-P-C4' energy: -172.336
flat angles P-C4'-P energy: -113.035
tors. eta vs tors. theta energy: -169.922
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: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2136.215136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.215136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.361932 (E_RNA)
where:
Base-Base interactions energy: -1481.633
where: short stacking energy: -610.597
Base-Backbone interact. energy: -0.647
local terms energy: -657.081424
where:
bonds (distance) C4'-P energy: -120.796
bonds (distance) P-C4' energy: -118.759
flat angles C4'-P-C4' energy: -146.829
flat angles P-C4'-P energy: -103.385
tors. eta vs tors. theta energy: -167.313
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2026.420128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.420128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.543684 (E_RNA)
where:
Base-Base interactions energy: -1367.701
where: short stacking energy: -586.604
Base-Backbone interact. energy: 4.055
local terms energy: -664.896879
where:
bonds (distance) C4'-P energy: -122.897
bonds (distance) P-C4' energy: -127.145
flat angles C4'-P-C4' energy: -147.808
flat angles P-C4'-P energy: -100.888
tors. eta vs tors. theta energy: -166.160
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1955.138893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.138893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.232059 (E_RNA)
where:
Base-Base interactions energy: -1343.274
where: short stacking energy: -565.966
Base-Backbone interact. energy: -3.571
local terms energy: -610.387147
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -128.727
flat angles C4'-P-C4' energy: -134.106
flat angles P-C4'-P energy: -77.539
tors. eta vs tors. theta energy: -144.968
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: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1804.900622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.900622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.835256 (E_RNA)
where:
Base-Base interactions energy: -1227.784
where: short stacking energy: -509.301
Base-Backbone interact. energy: 4.667
local terms energy: -587.718112
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -133.718
flat angles C4'-P-C4' energy: -125.084
flat angles P-C4'-P energy: -92.619
tors. eta vs tors. theta energy: -123.788
Dist. restrs. and SS energy: 5.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2947.714810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.714810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.222580 (E_RNA)
where:
Base-Base interactions energy: -2055.846
where: short stacking energy: -846.909
Base-Backbone interact. energy: -4.913
local terms energy: -889.463913
where:
bonds (distance) C4'-P energy: -167.488
bonds (distance) P-C4' energy: -165.659
flat angles C4'-P-C4' energy: -186.671
flat angles P-C4'-P energy: -121.383
tors. eta vs tors. theta energy: -248.263
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: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2784.186825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.186825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.959507 (E_RNA)
where:
Base-Base interactions energy: -1902.370
where: short stacking energy: -813.097
Base-Backbone interact. energy: -0.372
local terms energy: -883.217583
where:
bonds (distance) C4'-P energy: -158.575
bonds (distance) P-C4' energy: -167.314
flat angles C4'-P-C4' energy: -186.622
flat angles P-C4'-P energy: -128.603
tors. eta vs tors. theta energy: -242.103
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2706.853407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.853407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.824655 (E_RNA)
where:
Base-Base interactions energy: -1874.316
where: short stacking energy: -788.621
Base-Backbone interact. energy: -1.859
local terms energy: -832.650401
where:
bonds (distance) C4'-P energy: -152.270
bonds (distance) P-C4' energy: -163.829
flat angles C4'-P-C4' energy: -174.057
flat angles P-C4'-P energy: -109.211
tors. eta vs tors. theta energy: -233.284
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2562.802692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.802692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.646315 (E_RNA)
where:
Base-Base interactions energy: -1770.591
where: short stacking energy: -747.703
Base-Backbone interact. energy: 2.667
local terms energy: -796.722584
where:
bonds (distance) C4'-P energy: -161.431
bonds (distance) P-C4' energy: -147.775
flat angles C4'-P-C4' energy: -170.449
flat angles P-C4'-P energy: -113.805
tors. eta vs tors. theta energy: -203.263
Dist. restrs. and SS energy: 1.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2415.907214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.907214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.371012 (E_RNA)
where:
Base-Base interactions energy: -1644.679
where: short stacking energy: -712.005
Base-Backbone interact. energy: 2.816
local terms energy: -776.507875
where:
bonds (distance) C4'-P energy: -147.805
bonds (distance) P-C4' energy: -163.812
flat angles C4'-P-C4' energy: -144.954
flat angles P-C4'-P energy: -111.889
tors. eta vs tors. theta energy: -208.048
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: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2178.563959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.563959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.952332 (E_RNA)
where:
Base-Base interactions energy: -1462.301
where: short stacking energy: -647.048
Base-Backbone interact. energy: 2.226
local terms energy: -720.877140
where:
bonds (distance) C4'-P energy: -130.393
bonds (distance) P-C4' energy: -132.596
flat angles C4'-P-C4' energy: -165.858
flat angles P-C4'-P energy: -112.912
tors. eta vs tors. theta energy: -179.118
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2119.348331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.348331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.642928 (E_RNA)
where:
Base-Base interactions energy: -1454.030
where: short stacking energy: -618.066
Base-Backbone interact. energy: 9.711
local terms energy: -677.324326
where:
bonds (distance) C4'-P energy: -157.419
bonds (distance) P-C4' energy: -132.379
flat angles C4'-P-C4' energy: -123.571
flat angles P-C4'-P energy: -106.031
tors. eta vs tors. theta energy: -157.924
Dist. restrs. and SS energy: 2.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2025.032314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.527962 (E_RNA)
where:
Base-Base interactions energy: -1381.622
where: short stacking energy: -602.583
Base-Backbone interact. energy: 8.924
local terms energy: -654.830765
where:
bonds (distance) C4'-P energy: -129.521
bonds (distance) P-C4' energy: -144.742
flat angles C4'-P-C4' energy: -140.557
flat angles P-C4'-P energy: -93.665
tors. eta vs tors. theta energy: -146.345
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1971.936691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.936691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.274319 (E_RNA)
where:
Base-Base interactions energy: -1328.537
where: short stacking energy: -564.215
Base-Backbone interact. energy: 1.226
local terms energy: -647.963408
where:
bonds (distance) C4'-P energy: -121.381
bonds (distance) P-C4' energy: -131.228
flat angles C4'-P-C4' energy: -144.072
flat angles P-C4'-P energy: -96.473
tors. eta vs tors. theta energy: -154.810
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1866.142305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.142305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.269020 (E_RNA)
where:
Base-Base interactions energy: -1260.352
where: short stacking energy: -528.725
Base-Backbone interact. energy: 3.509
local terms energy: -613.425409
where:
bonds (distance) C4'-P energy: -119.524
bonds (distance) P-C4' energy: -114.021
flat angles C4'-P-C4' energy: -143.574
flat angles P-C4'-P energy: -88.030
tors. eta vs tors. theta energy: -148.276
Dist. restrs. and SS energy: 4.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2936.426724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.426724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.040626 (E_RNA)
where:
Base-Base interactions energy: -2049.755
where: short stacking energy: -853.149
Base-Backbone interact. energy: -1.557
local terms energy: -887.729070
where:
bonds (distance) C4'-P energy: -163.150
bonds (distance) P-C4' energy: -167.377
flat angles C4'-P-C4' energy: -179.933
flat angles P-C4'-P energy: -122.674
tors. eta vs tors. theta energy: -254.594
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: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2778.121128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.121128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.157825 (E_RNA)
where:
Base-Base interactions energy: -1900.986
where: short stacking energy: -801.920
Base-Backbone interact. energy: -0.359
local terms energy: -879.813205
where:
bonds (distance) C4'-P energy: -164.534
bonds (distance) P-C4' energy: -170.437
flat angles C4'-P-C4' energy: -184.607
flat angles P-C4'-P energy: -118.297
tors. eta vs tors. theta energy: -241.939
Dist. restrs. and SS energy: 3.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2717.114377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.114377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.538647 (E_RNA)
where:
Base-Base interactions energy: -1877.172
where: short stacking energy: -781.803
Base-Backbone interact. energy: -0.476
local terms energy: -840.890644
where:
bonds (distance) C4'-P energy: -155.043
bonds (distance) P-C4' energy: -160.721
flat angles C4'-P-C4' energy: -177.323
flat angles P-C4'-P energy: -108.184
tors. eta vs tors. theta energy: -239.620
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2565.781735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.781735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.045576 (E_RNA)
where:
Base-Base interactions energy: -1792.290
where: short stacking energy: -747.303
Base-Backbone interact. energy: -1.362
local terms energy: -773.392869
where:
bonds (distance) C4'-P energy: -149.140
bonds (distance) P-C4' energy: -117.438
flat angles C4'-P-C4' energy: -181.237
flat angles P-C4'-P energy: -103.054
tors. eta vs tors. theta energy: -222.525
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2377.844734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.844734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.174824 (E_RNA)
where:
Base-Base interactions energy: -1632.675
where: short stacking energy: -698.486
Base-Backbone interact. energy: 1.565
local terms energy: -749.064390
where:
bonds (distance) C4'-P energy: -152.617
bonds (distance) P-C4' energy: -139.710
flat angles C4'-P-C4' energy: -165.678
flat angles P-C4'-P energy: -96.803
tors. eta vs tors. theta energy: -194.257
Dist. restrs. and SS energy: 2.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2207.116395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.116395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.646629 (E_RNA)
where:
Base-Base interactions energy: -1510.302
where: short stacking energy: -670.744
Base-Backbone interact. energy: -0.642
local terms energy: -697.702122
where:
bonds (distance) C4'-P energy: -130.865
bonds (distance) P-C4' energy: -125.476
flat angles C4'-P-C4' energy: -160.213
flat angles P-C4'-P energy: -93.046
tors. eta vs tors. theta energy: -188.102
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2137.432838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.432838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.391074 (E_RNA)
where:
Base-Base interactions energy: -1421.551
where: short stacking energy: -617.789
Base-Backbone interact. energy: 1.141
local terms energy: -719.981004
where:
bonds (distance) C4'-P energy: -144.398
bonds (distance) P-C4' energy: -141.171
flat angles C4'-P-C4' energy: -159.215
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -179.429
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2026.471042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.471042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.289459 (E_RNA)
where:
Base-Base interactions energy: -1403.222
where: short stacking energy: -601.425
Base-Backbone interact. energy: -1.059
local terms energy: -625.008788
where:
bonds (distance) C4'-P energy: -108.384
bonds (distance) P-C4' energy: -124.891
flat angles C4'-P-C4' energy: -152.151
flat angles P-C4'-P energy: -92.985
tors. eta vs tors. theta energy: -146.598
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1941.194320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.194320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.008407 (E_RNA)
where:
Base-Base interactions energy: -1297.735
where: short stacking energy: -554.342
Base-Backbone interact. energy: -0.288
local terms energy: -644.984929
where:
bonds (distance) C4'-P energy: -139.546
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -140.088
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -140.423
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: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -1865.839257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.839257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.702528 (E_RNA)
where:
Base-Base interactions energy: -1281.879
where: short stacking energy: -535.849
Base-Backbone interact. energy: -3.728
local terms energy: -583.095707
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -129.169
flat angles C4'-P-C4' energy: -134.862
flat angles P-C4'-P energy: -67.991
tors. eta vs tors. theta energy: -135.550
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: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2921.721582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.721582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.382408 (E_RNA)
where:
Base-Base interactions energy: -2052.665
where: short stacking energy: -857.221
Base-Backbone interact. energy: -3.834
local terms energy: -866.883324
where:
bonds (distance) C4'-P energy: -154.377
bonds (distance) P-C4' energy: -156.842
flat angles C4'-P-C4' energy: -173.249
flat angles P-C4'-P energy: -140.559
tors. eta vs tors. theta energy: -241.855
Dist. restrs. and SS energy: 1.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2799.495581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.495581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.064234 (E_RNA)
where:
Base-Base interactions energy: -1937.202
where: short stacking energy: -787.403
Base-Backbone interact. energy: -4.729
local terms energy: -859.132799
where:
bonds (distance) C4'-P energy: -146.269
bonds (distance) P-C4' energy: -151.458
flat angles C4'-P-C4' energy: -182.374
flat angles P-C4'-P energy: -135.720
tors. eta vs tors. theta energy: -243.312
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: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2662.257951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.257951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.849149 (E_RNA)
where:
Base-Base interactions energy: -1823.772
where: short stacking energy: -752.306
Base-Backbone interact. energy: 1.525
local terms energy: -841.602734
where:
bonds (distance) C4'-P energy: -153.138
bonds (distance) P-C4' energy: -175.041
flat angles C4'-P-C4' energy: -182.419
flat angles P-C4'-P energy: -112.060
tors. eta vs tors. theta energy: -218.944
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: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2570.660278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.660278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.329923 (E_RNA)
where:
Base-Base interactions energy: -1776.980
where: short stacking energy: -767.462
Base-Backbone interact. energy: -1.459
local terms energy: -793.891341
where:
bonds (distance) C4'-P energy: -156.218
bonds (distance) P-C4' energy: -134.375
flat angles C4'-P-C4' energy: -177.306
flat angles P-C4'-P energy: -118.687
tors. eta vs tors. theta energy: -207.306
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2359.868237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.868237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.716369 (E_RNA)
where:
Base-Base interactions energy: -1617.009
where: short stacking energy: -690.364
Base-Backbone interact. energy: 2.274
local terms energy: -747.981528
where:
bonds (distance) C4'-P energy: -125.225
bonds (distance) P-C4' energy: -145.070
flat angles C4'-P-C4' energy: -163.694
flat angles P-C4'-P energy: -110.677
tors. eta vs tors. theta energy: -203.315
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: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2193.932264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.932264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.610778 (E_RNA)
where:
Base-Base interactions energy: -1478.895
where: short stacking energy: -651.478
Base-Backbone interact. energy: 4.562
local terms energy: -721.277666
where:
bonds (distance) C4'-P energy: -132.016
bonds (distance) P-C4' energy: -140.653
flat angles C4'-P-C4' energy: -155.829
flat angles P-C4'-P energy: -100.395
tors. eta vs tors. theta energy: -192.384
Dist. restrs. and SS energy: 1.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2095.028411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.028411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.611171 (E_RNA)
where:
Base-Base interactions energy: -1416.605
where: short stacking energy: -616.903
Base-Backbone interact. energy: -1.959
local terms energy: -679.047046
where:
bonds (distance) C4'-P energy: -122.868
bonds (distance) P-C4' energy: -139.727
flat angles C4'-P-C4' energy: -143.902
flat angles P-C4'-P energy: -92.494
tors. eta vs tors. theta energy: -180.057
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: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1996.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.680414 (E_RNA)
where:
Base-Base interactions energy: -1376.508
where: short stacking energy: -591.643
Base-Backbone interact. energy: -4.380
local terms energy: -617.792708
where:
bonds (distance) C4'-P energy: -130.391
bonds (distance) P-C4' energy: -103.184
flat angles C4'-P-C4' energy: -151.779
flat angles P-C4'-P energy: -93.828
tors. eta vs tors. theta energy: -138.610
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: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1940.148235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.148235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.725298 (E_RNA)
where:
Base-Base interactions energy: -1353.680
where: short stacking energy: -569.385
Base-Backbone interact. energy: 3.320
local terms energy: -592.365979
where:
bonds (distance) C4'-P energy: -121.159
bonds (distance) P-C4' energy: -127.891
flat angles C4'-P-C4' energy: -139.835
flat angles P-C4'-P energy: -62.188
tors. eta vs tors. theta energy: -141.293
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: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -1832.318958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.318958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.577310 (E_RNA)
where:
Base-Base interactions energy: -1229.634
where: short stacking energy: -541.048
Base-Backbone interact. energy: 5.953
local terms energy: -612.895755
where:
bonds (distance) C4'-P energy: -124.559
bonds (distance) P-C4' energy: -144.766
flat angles C4'-P-C4' energy: -138.464
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: -130.322
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: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2922.441243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.441243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.252827 (E_RNA)
where:
Base-Base interactions energy: -2045.204
where: short stacking energy: -843.540
Base-Backbone interact. energy: -2.435
local terms energy: -877.613610
where:
bonds (distance) C4'-P energy: -149.951
bonds (distance) P-C4' energy: -159.968
flat angles C4'-P-C4' energy: -191.085
flat angles P-C4'-P energy: -133.734
tors. eta vs tors. theta energy: -242.877
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: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2844.941773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.941773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.814510 (E_RNA)
where:
Base-Base interactions energy: -1992.004
where: short stacking energy: -846.790
Base-Backbone interact. energy: 0.757
local terms energy: -854.567421
where:
bonds (distance) C4'-P energy: -171.130
bonds (distance) P-C4' energy: -143.810
flat angles C4'-P-C4' energy: -184.546
flat angles P-C4'-P energy: -120.656
tors. eta vs tors. theta energy: -234.425
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2664.416918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.416918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.078482 (E_RNA)
where:
Base-Base interactions energy: -1845.702
where: short stacking energy: -771.450
Base-Backbone interact. energy: -2.791
local terms energy: -817.585749
where:
bonds (distance) C4'-P energy: -146.467
bonds (distance) P-C4' energy: -157.354
flat angles C4'-P-C4' energy: -178.917
flat angles P-C4'-P energy: -108.713
tors. eta vs tors. theta energy: -226.135
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: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2569.632931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.632931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.839619 (E_RNA)
where:
Base-Base interactions energy: -1762.523
where: short stacking energy: -729.941
Base-Backbone interact. energy: 2.117
local terms energy: -811.433276
where:
bonds (distance) C4'-P energy: -148.932
bonds (distance) P-C4' energy: -153.349
flat angles C4'-P-C4' energy: -185.064
flat angles P-C4'-P energy: -109.937
tors. eta vs tors. theta energy: -214.151
Dist. restrs. and SS energy: 2.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2461.358485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.358485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.316753 (E_RNA)
where:
Base-Base interactions energy: -1703.193
where: short stacking energy: -726.785
Base-Backbone interact. energy: -0.796
local terms energy: -759.327688
where:
bonds (distance) C4'-P energy: -136.433
bonds (distance) P-C4' energy: -134.007
flat angles C4'-P-C4' energy: -164.736
flat angles P-C4'-P energy: -110.715
tors. eta vs tors. theta energy: -213.437
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2205.526111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.526111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.575975 (E_RNA)
where:
Base-Base interactions energy: -1479.965
where: short stacking energy: -637.736
Base-Backbone interact. energy: -2.934
local terms energy: -726.677491
where:
bonds (distance) C4'-P energy: -150.481
bonds (distance) P-C4' energy: -145.505
flat angles C4'-P-C4' energy: -157.733
flat angles P-C4'-P energy: -89.497
tors. eta vs tors. theta energy: -183.461
Dist. restrs. and SS energy: 4.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2125.087242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.087242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.674706 (E_RNA)
where:
Base-Base interactions energy: -1445.780
where: short stacking energy: -640.276
Base-Backbone interact. energy: 2.756
local terms energy: -684.649902
where:
bonds (distance) C4'-P energy: -130.964
bonds (distance) P-C4' energy: -134.608
flat angles C4'-P-C4' energy: -140.407
flat angles P-C4'-P energy: -90.983
tors. eta vs tors. theta energy: -187.689
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: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1978.875288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.875288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.563277 (E_RNA)
where:
Base-Base interactions energy: -1342.626
where: short stacking energy: -575.792
Base-Backbone interact. energy: 4.483
local terms energy: -643.419875
where:
bonds (distance) C4'-P energy: -144.589
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -142.148
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -145.294
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: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1956.680832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.680832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.219839 (E_RNA)
where:
Base-Base interactions energy: -1324.656
where: short stacking energy: -563.957
Base-Backbone interact. energy: 5.490
local terms energy: -641.053194
where:
bonds (distance) C4'-P energy: -141.903
bonds (distance) P-C4' energy: -131.703
flat angles C4'-P-C4' energy: -143.099
flat angles P-C4'-P energy: -74.034
tors. eta vs tors. theta energy: -150.315
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: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1886.406971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.406971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.026258 (E_RNA)
where:
Base-Base interactions energy: -1278.650
where: short stacking energy: -522.004
Base-Backbone interact. energy: -1.159
local terms energy: -610.217546
where:
bonds (distance) C4'-P energy: -120.803
bonds (distance) P-C4' energy: -126.582
flat angles C4'-P-C4' energy: -147.687
flat angles P-C4'-P energy: -85.154
tors. eta vs tors. theta energy: -129.992
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: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2936.448548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.448548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.513583 (E_RNA)
where:
Base-Base interactions energy: -2058.781
where: short stacking energy: -839.819
Base-Backbone interact. energy: -5.412
local terms energy: -875.320527
where:
bonds (distance) C4'-P energy: -152.483
bonds (distance) P-C4' energy: -165.412
flat angles C4'-P-C4' energy: -186.471
flat angles P-C4'-P energy: -123.801
tors. eta vs tors. theta energy: -247.154
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2804.188241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.188241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.679547 (E_RNA)
where:
Base-Base interactions energy: -1939.825
where: short stacking energy: -851.795
Base-Backbone interact. energy: 0.567
local terms energy: -866.421578
where:
bonds (distance) C4'-P energy: -147.167
bonds (distance) P-C4' energy: -160.172
flat angles C4'-P-C4' energy: -180.454
flat angles P-C4'-P energy: -125.768
tors. eta vs tors. theta energy: -252.860
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2649.423739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.423739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.647601 (E_RNA)
where:
Base-Base interactions energy: -1852.964
where: short stacking energy: -764.565
Base-Backbone interact. energy: 2.003
local terms energy: -799.686727
where:
bonds (distance) C4'-P energy: -133.084
bonds (distance) P-C4' energy: -152.536
flat angles C4'-P-C4' energy: -174.560
flat angles P-C4'-P energy: -119.306
tors. eta vs tors. theta energy: -220.201
Dist. restrs. and SS energy: 1.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2599.263643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.263643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.849432 (E_RNA)
where:
Base-Base interactions energy: -1822.793
where: short stacking energy: -761.647
Base-Backbone interact. energy: -2.869
local terms energy: -775.186709
where:
bonds (distance) C4'-P energy: -136.469
bonds (distance) P-C4' energy: -132.184
flat angles C4'-P-C4' energy: -178.965
flat angles P-C4'-P energy: -106.952
tors. eta vs tors. theta energy: -220.617
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2404.835736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.835736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.505715 (E_RNA)
where:
Base-Base interactions energy: -1637.851
where: short stacking energy: -701.021
Base-Backbone interact. energy: -0.522
local terms energy: -768.132118
where:
bonds (distance) C4'-P energy: -145.154
bonds (distance) P-C4' energy: -152.080
flat angles C4'-P-C4' energy: -158.213
flat angles P-C4'-P energy: -109.573
tors. eta vs tors. theta energy: -203.112
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2221.777792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.777792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.574383 (E_RNA)
where:
Base-Base interactions energy: -1485.812
where: short stacking energy: -649.180
Base-Backbone interact. energy: -2.448
local terms energy: -735.313901
where:
bonds (distance) C4'-P energy: -150.582
bonds (distance) P-C4' energy: -157.895
flat angles C4'-P-C4' energy: -154.561
flat angles P-C4'-P energy: -97.149
tors. eta vs tors. theta energy: -175.127
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: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2122.786219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.786219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.873727 (E_RNA)
where:
Base-Base interactions energy: -1440.815
where: short stacking energy: -627.643
Base-Backbone interact. energy: -1.947
local terms energy: -686.111765
where:
bonds (distance) C4'-P energy: -137.474
bonds (distance) P-C4' energy: -133.373
flat angles C4'-P-C4' energy: -157.493
flat angles P-C4'-P energy: -69.572
tors. eta vs tors. theta energy: -188.199
Dist. restrs. and SS energy: 6.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2037.999595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.999595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.399772 (E_RNA)
where:
Base-Base interactions energy: -1380.918
where: short stacking energy: -574.943
Base-Backbone interact. energy: -1.526
local terms energy: -657.956576
where:
bonds (distance) C4'-P energy: -129.669
bonds (distance) P-C4' energy: -150.649
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -94.331
tors. eta vs tors. theta energy: -149.022
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1962.664113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.664113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.155149 (E_RNA)
where:
Base-Base interactions energy: -1303.628
where: short stacking energy: -560.559
Base-Backbone interact. energy: 3.132
local terms energy: -664.658702
where:
bonds (distance) C4'-P energy: -136.431
bonds (distance) P-C4' energy: -131.958
flat angles C4'-P-C4' energy: -154.513
flat angles P-C4'-P energy: -101.269
tors. eta vs tors. theta energy: -140.488
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: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -1932.523289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.588208 (E_RNA)
where:
Base-Base interactions energy: -1351.005
where: short stacking energy: -557.384
Base-Backbone interact. energy: 0.507
local terms energy: -585.090754
where:
bonds (distance) C4'-P energy: -112.546
bonds (distance) P-C4' energy: -107.711
flat angles C4'-P-C4' energy: -142.139
flat angles P-C4'-P energy: -85.627
tors. eta vs tors. theta energy: -137.068
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2938.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.291715 (E_RNA)
where:
Base-Base interactions energy: -2068.111
where: short stacking energy: -860.425
Base-Backbone interact. energy: -4.719
local terms energy: -867.461719
where:
bonds (distance) C4'-P energy: -152.754
bonds (distance) P-C4' energy: -163.531
flat angles C4'-P-C4' energy: -181.587
flat angles P-C4'-P energy: -127.698
tors. eta vs tors. theta energy: -241.891
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: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2832.443137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.443137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.616221 (E_RNA)
where:
Base-Base interactions energy: -1973.141
where: short stacking energy: -817.442
Base-Backbone interact. energy: -4.184
local terms energy: -856.291931
where:
bonds (distance) C4'-P energy: -150.190
bonds (distance) P-C4' energy: -163.959
flat angles C4'-P-C4' energy: -181.513
flat angles P-C4'-P energy: -122.018
tors. eta vs tors. theta energy: -238.612
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2658.563771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.563771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.363970 (E_RNA)
where:
Base-Base interactions energy: -1827.769
where: short stacking energy: -777.019
Base-Backbone interact. energy: -2.499
local terms energy: -830.095553
where:
bonds (distance) C4'-P energy: -155.114
bonds (distance) P-C4' energy: -139.550
flat angles C4'-P-C4' energy: -181.095
flat angles P-C4'-P energy: -127.479
tors. eta vs tors. theta energy: -226.858
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: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2623.770670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.770670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.021545 (E_RNA)
where:
Base-Base interactions energy: -1800.002
where: short stacking energy: -755.976
Base-Backbone interact. energy: -1.770
local terms energy: -824.249221
where:
bonds (distance) C4'-P energy: -158.091
bonds (distance) P-C4' energy: -147.230
flat angles C4'-P-C4' energy: -190.507
flat angles P-C4'-P energy: -108.699
tors. eta vs tors. theta energy: -219.721
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: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2358.052091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.052091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.131618 (E_RNA)
where:
Base-Base interactions energy: -1610.638
where: short stacking energy: -702.705
Base-Backbone interact. energy: -3.959
local terms energy: -745.534036
where:
bonds (distance) C4'-P energy: -138.676
bonds (distance) P-C4' energy: -143.020
flat angles C4'-P-C4' energy: -162.035
flat angles P-C4'-P energy: -103.694
tors. eta vs tors. theta energy: -198.109
Dist. restrs. and SS energy: 2.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2185.288422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.288422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.589747 (E_RNA)
where:
Base-Base interactions energy: -1519.162
where: short stacking energy: -657.972
Base-Backbone interact. energy: 4.843
local terms energy: -672.269888
where:
bonds (distance) C4'-P energy: -123.981
bonds (distance) P-C4' energy: -139.004
flat angles C4'-P-C4' energy: -151.433
flat angles P-C4'-P energy: -89.954
tors. eta vs tors. theta energy: -167.897
Dist. restrs. and SS energy: 1.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2117.288438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.288438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.236220 (E_RNA)
where:
Base-Base interactions energy: -1426.198
where: short stacking energy: -607.528
Base-Backbone interact. energy: 0.130
local terms energy: -694.168825
where:
bonds (distance) C4'-P energy: -137.093
bonds (distance) P-C4' energy: -145.506
flat angles C4'-P-C4' energy: -170.117
flat angles P-C4'-P energy: -91.642
tors. eta vs tors. theta energy: -149.811
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2022.079793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.079793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.169863 (E_RNA)
where:
Base-Base interactions energy: -1383.155
where: short stacking energy: -585.464
Base-Backbone interact. energy: 4.319
local terms energy: -645.334067
where:
bonds (distance) C4'-P energy: -126.171
bonds (distance) P-C4' energy: -138.812
flat angles C4'-P-C4' energy: -137.970
flat angles P-C4'-P energy: -87.901
tors. eta vs tors. theta energy: -154.480
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: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1955.559059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.559059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.519175 (E_RNA)
where:
Base-Base interactions energy: -1332.680
where: short stacking energy: -540.666
Base-Backbone interact. energy: -0.873
local terms energy: -624.966015
where:
bonds (distance) C4'-P energy: -122.103
bonds (distance) P-C4' energy: -125.470
flat angles C4'-P-C4' energy: -127.291
flat angles P-C4'-P energy: -105.930
tors. eta vs tors. theta energy: -144.171
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: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -1915.811113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.811113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.096572 (E_RNA)
where:
Base-Base interactions energy: -1310.040
where: short stacking energy: -549.863
Base-Backbone interact. energy: 1.070
local terms energy: -610.126272
where:
bonds (distance) C4'-P energy: -131.357
bonds (distance) P-C4' energy: -111.120
flat angles C4'-P-C4' energy: -143.638
flat angles P-C4'-P energy: -84.690
tors. eta vs tors. theta energy: -139.321
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: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2942.524563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.524563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.823040 (E_RNA)
where:
Base-Base interactions energy: -2073.802
where: short stacking energy: -838.509
Base-Backbone interact. energy: 2.171
local terms energy: -873.191863
where:
bonds (distance) C4'-P energy: -146.282
bonds (distance) P-C4' energy: -175.471
flat angles C4'-P-C4' energy: -177.144
flat angles P-C4'-P energy: -129.118
tors. eta vs tors. theta energy: -245.178
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2847.830108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.830108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.510442 (E_RNA)
where:
Base-Base interactions energy: -1960.991
where: short stacking energy: -808.301
Base-Backbone interact. energy: 5.006
local terms energy: -894.525209
where:
bonds (distance) C4'-P energy: -146.146
bonds (distance) P-C4' energy: -160.939
flat angles C4'-P-C4' energy: -191.173
flat angles P-C4'-P energy: -136.081
tors. eta vs tors. theta energy: -260.186
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2652.420277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.420277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.477538 (E_RNA)
where:
Base-Base interactions energy: -1829.552
where: short stacking energy: -782.114
Base-Backbone interact. energy: -2.568
local terms energy: -822.357195
where:
bonds (distance) C4'-P energy: -154.583
bonds (distance) P-C4' energy: -157.531
flat angles C4'-P-C4' energy: -159.237
flat angles P-C4'-P energy: -125.522
tors. eta vs tors. theta energy: -225.484
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: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2599.749838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.749838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.576478 (E_RNA)
where:
Base-Base interactions energy: -1805.569
where: short stacking energy: -770.664
Base-Backbone interact. energy: 1.342
local terms energy: -798.349824
where:
bonds (distance) C4'-P energy: -149.060
bonds (distance) P-C4' energy: -153.143
flat angles C4'-P-C4' energy: -175.087
flat angles P-C4'-P energy: -104.053
tors. eta vs tors. theta energy: -217.007
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2353.190229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.190229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.265032 (E_RNA)
where:
Base-Base interactions energy: -1603.790
where: short stacking energy: -650.700
Base-Backbone interact. energy: -4.612
local terms energy: -747.863482
where:
bonds (distance) C4'-P energy: -155.166
bonds (distance) P-C4' energy: -137.150
flat angles C4'-P-C4' energy: -154.519
flat angles P-C4'-P energy: -106.962
tors. eta vs tors. theta energy: -194.067
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: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2171.831225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.920033 (E_RNA)
where:
Base-Base interactions energy: -1451.767
where: short stacking energy: -650.164
Base-Backbone interact. energy: -1.975
local terms energy: -721.177754
where:
bonds (distance) C4'-P energy: -140.001
bonds (distance) P-C4' energy: -145.677
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -98.885
tors. eta vs tors. theta energy: -186.034
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: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2141.705591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.705591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.907840 (E_RNA)
where:
Base-Base interactions energy: -1445.340
where: short stacking energy: -630.760
Base-Backbone interact. energy: 2.104
local terms energy: -700.671154
where:
bonds (distance) C4'-P energy: -138.100
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -166.632
flat angles P-C4'-P energy: -81.358
tors. eta vs tors. theta energy: -167.379
Dist. restrs. and SS energy: 2.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2004.702524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.702524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.344420 (E_RNA)
where:
Base-Base interactions energy: -1369.706
where: short stacking energy: -572.577
Base-Backbone interact. energy: 1.423
local terms energy: -638.061843
where:
bonds (distance) C4'-P energy: -123.173
bonds (distance) P-C4' energy: -135.046
flat angles C4'-P-C4' energy: -149.308
flat angles P-C4'-P energy: -81.206
tors. eta vs tors. theta energy: -149.328
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1911.462225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.462225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.569838 (E_RNA)
where:
Base-Base interactions energy: -1320.820
where: short stacking energy: -563.982
Base-Backbone interact. energy: 8.228
local terms energy: -601.978574
where:
bonds (distance) C4'-P energy: -118.005
bonds (distance) P-C4' energy: -123.026
flat angles C4'-P-C4' energy: -136.726
flat angles P-C4'-P energy: -93.344
tors. eta vs tors. theta energy: -130.878
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: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1918.727344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.727344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.524068 (E_RNA)
where:
Base-Base interactions energy: -1313.115
where: short stacking energy: -543.369
Base-Backbone interact. energy: -3.493
local terms energy: -603.915809
where:
bonds (distance) C4'-P energy: -119.704
bonds (distance) P-C4' energy: -132.389
flat angles C4'-P-C4' energy: -142.104
flat angles P-C4'-P energy: -68.302
tors. eta vs tors. theta energy: -141.417
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: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2935.148474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.148474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.770400 (E_RNA)
where:
Base-Base interactions energy: -2045.482
where: short stacking energy: -842.296
Base-Backbone interact. energy: -1.620
local terms energy: -890.667820
where:
bonds (distance) C4'-P energy: -169.086
bonds (distance) P-C4' energy: -172.710
flat angles C4'-P-C4' energy: -174.606
flat angles P-C4'-P energy: -125.800
tors. eta vs tors. theta energy: -248.466
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: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2851.956396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.956396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.078523 (E_RNA)
where:
Base-Base interactions energy: -1985.426
where: short stacking energy: -822.686
Base-Backbone interact. energy: -1.630
local terms energy: -866.022298
where:
bonds (distance) C4'-P energy: -160.466
bonds (distance) P-C4' energy: -159.259
flat angles C4'-P-C4' energy: -172.897
flat angles P-C4'-P energy: -132.383
tors. eta vs tors. theta energy: -241.018
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2647.683805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.683805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.362745 (E_RNA)
where:
Base-Base interactions energy: -1822.949
where: short stacking energy: -785.767
Base-Backbone interact. energy: -3.144
local terms energy: -823.270381
where:
bonds (distance) C4'-P energy: -156.183
bonds (distance) P-C4' energy: -150.607
flat angles C4'-P-C4' energy: -176.026
flat angles P-C4'-P energy: -112.732
tors. eta vs tors. theta energy: -227.722
Dist. restrs. and SS energy: 1.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2599.589131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.589131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.722852 (E_RNA)
where:
Base-Base interactions energy: -1787.493
where: short stacking energy: -757.862
Base-Backbone interact. energy: -1.571
local terms energy: -813.659275
where:
bonds (distance) C4'-P energy: -146.586
bonds (distance) P-C4' energy: -163.442
flat angles C4'-P-C4' energy: -168.275
flat angles P-C4'-P energy: -124.509
tors. eta vs tors. theta energy: -210.847
Dist. restrs. and SS energy: 3.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2354.856375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.233567 (E_RNA)
where:
Base-Base interactions energy: -1593.490
where: short stacking energy: -692.303
Base-Backbone interact. energy: -0.098
local terms energy: -764.645876
where:
bonds (distance) C4'-P energy: -159.082
bonds (distance) P-C4' energy: -149.164
flat angles C4'-P-C4' energy: -162.097
flat angles P-C4'-P energy: -108.963
tors. eta vs tors. theta energy: -185.340
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2207.061049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.061049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.002567 (E_RNA)
where:
Base-Base interactions energy: -1493.802
where: short stacking energy: -668.780
Base-Backbone interact. energy: 1.415
local terms energy: -716.614889
where:
bonds (distance) C4'-P energy: -125.577
bonds (distance) P-C4' energy: -152.404
flat angles C4'-P-C4' energy: -157.532
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -184.448
Dist. restrs. and SS energy: 1.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2165.008243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.008243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.587749 (E_RNA)
where:
Base-Base interactions energy: -1463.323
where: short stacking energy: -618.464
Base-Backbone interact. energy: -1.424
local terms energy: -702.840817
where:
bonds (distance) C4'-P energy: -146.326
bonds (distance) P-C4' energy: -131.043
flat angles C4'-P-C4' energy: -149.635
flat angles P-C4'-P energy: -98.422
tors. eta vs tors. theta energy: -177.415
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2039.187819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.187819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.101323 (E_RNA)
where:
Base-Base interactions energy: -1373.485
where: short stacking energy: -571.883
Base-Backbone interact. energy: -3.343
local terms energy: -664.273768
where:
bonds (distance) C4'-P energy: -116.640
bonds (distance) P-C4' energy: -140.849
flat angles C4'-P-C4' energy: -153.011
flat angles P-C4'-P energy: -98.908
tors. eta vs tors. theta energy: -154.865
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1962.162055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.162055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.100928 (E_RNA)
where:
Base-Base interactions energy: -1320.542
where: short stacking energy: -525.530
Base-Backbone interact. energy: 2.119
local terms energy: -647.677485
where:
bonds (distance) C4'-P energy: -131.654
bonds (distance) P-C4' energy: -132.234
flat angles C4'-P-C4' energy: -143.540
flat angles P-C4'-P energy: -92.892
tors. eta vs tors. theta energy: -147.357
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1866.512118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.512118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.582894 (E_RNA)
where:
Base-Base interactions energy: -1246.248
where: short stacking energy: -518.408
Base-Backbone interact. energy: 1.236
local terms energy: -623.570043
where:
bonds (distance) C4'-P energy: -142.144
bonds (distance) P-C4' energy: -140.691
flat angles C4'-P-C4' energy: -122.354
flat angles P-C4'-P energy: -83.274
tors. eta vs tors. theta energy: -135.107
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: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2929.128592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.128592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.450732 (E_RNA)
where:
Base-Base interactions energy: -2058.384
where: short stacking energy: -837.101
Base-Backbone interact. energy: -0.666
local terms energy: -872.401173
where:
bonds (distance) C4'-P energy: -159.901
bonds (distance) P-C4' energy: -174.319
flat angles C4'-P-C4' energy: -178.638
flat angles P-C4'-P energy: -118.099
tors. eta vs tors. theta energy: -241.445
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: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2839.121455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.121455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.082796 (E_RNA)
where:
Base-Base interactions energy: -1973.999
where: short stacking energy: -813.318
Base-Backbone interact. energy: -6.340
local terms energy: -861.744280
where:
bonds (distance) C4'-P energy: -160.272
bonds (distance) P-C4' energy: -163.461
flat angles C4'-P-C4' energy: -179.533
flat angles P-C4'-P energy: -115.532
tors. eta vs tors. theta energy: -242.946
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: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2636.653745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.653745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.047512 (E_RNA)
where:
Base-Base interactions energy: -1848.859
where: short stacking energy: -785.679
Base-Backbone interact. energy: 3.885
local terms energy: -793.072949
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -137.728
flat angles C4'-P-C4' energy: -168.550
flat angles P-C4'-P energy: -127.238
tors. eta vs tors. theta energy: -219.422
Dist. restrs. and SS energy: 1.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2545.045836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.045836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.951959 (E_RNA)
where:
Base-Base interactions energy: -1734.701
where: short stacking energy: -753.183
Base-Backbone interact. energy: 3.528
local terms energy: -815.778831
where:
bonds (distance) C4'-P energy: -142.783
bonds (distance) P-C4' energy: -155.279
flat angles C4'-P-C4' energy: -176.110
flat angles P-C4'-P energy: -97.254
tors. eta vs tors. theta energy: -244.354
Dist. restrs. and SS energy: 1.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2377.405490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.405490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.266090 (E_RNA)
where:
Base-Base interactions energy: -1613.692
where: short stacking energy: -687.528
Base-Backbone interact. energy: -2.248
local terms energy: -765.326244
where:
bonds (distance) C4'-P energy: -142.315
bonds (distance) P-C4' energy: -160.108
flat angles C4'-P-C4' energy: -162.824
flat angles P-C4'-P energy: -112.945
tors. eta vs tors. theta energy: -187.135
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: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2196.430534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.430534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.347087 (E_RNA)
where:
Base-Base interactions energy: -1483.337
where: short stacking energy: -646.582
Base-Backbone interact. energy: 2.577
local terms energy: -717.586851
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -158.897
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -99.798
tors. eta vs tors. theta energy: -178.828
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: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2136.317129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.317129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.145913 (E_RNA)
where:
Base-Base interactions energy: -1457.409
where: short stacking energy: -629.613
Base-Backbone interact. energy: 1.539
local terms energy: -683.275797
where:
bonds (distance) C4'-P energy: -132.114
bonds (distance) P-C4' energy: -144.377
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -83.585
tors. eta vs tors. theta energy: -180.998
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2029.658504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.658504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.732410 (E_RNA)
where:
Base-Base interactions energy: -1358.292
where: short stacking energy: -594.978
Base-Backbone interact. energy: 0.557
local terms energy: -675.997979
where:
bonds (distance) C4'-P energy: -127.238
bonds (distance) P-C4' energy: -127.736
flat angles C4'-P-C4' energy: -135.640
flat angles P-C4'-P energy: -110.629
tors. eta vs tors. theta energy: -174.755
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: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -2012.781923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.781923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.459235 (E_RNA)
where:
Base-Base interactions energy: -1371.734
where: short stacking energy: -602.172
Base-Backbone interact. energy: -0.624
local terms energy: -645.101477
where:
bonds (distance) C4'-P energy: -119.336
bonds (distance) P-C4' energy: -126.660
flat angles C4'-P-C4' energy: -140.635
flat angles P-C4'-P energy: -90.017
tors. eta vs tors. theta energy: -168.454
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: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1827.103847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.103847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.601912 (E_RNA)
where:
Base-Base interactions energy: -1251.663
where: short stacking energy: -487.867
Base-Backbone interact. energy: -1.172
local terms energy: -576.766904
where:
bonds (distance) C4'-P energy: -100.221
bonds (distance) P-C4' energy: -159.385
flat angles C4'-P-C4' energy: -130.441
flat angles P-C4'-P energy: -73.383
tors. eta vs tors. theta energy: -113.337
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: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2947.063312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.063312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.460936 (E_RNA)
where:
Base-Base interactions energy: -2091.876
where: short stacking energy: -871.095
Base-Backbone interact. energy: 3.700
local terms energy: -861.285138
where:
bonds (distance) C4'-P energy: -150.574
bonds (distance) P-C4' energy: -157.690
flat angles C4'-P-C4' energy: -187.669
flat angles P-C4'-P energy: -116.066
tors. eta vs tors. theta energy: -249.286
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: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2806.444099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.444099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.362748 (E_RNA)
where:
Base-Base interactions energy: -1958.310
where: short stacking energy: -806.789
Base-Backbone interact. energy: 4.703
local terms energy: -854.756497
where:
bonds (distance) C4'-P energy: -156.243
bonds (distance) P-C4' energy: -154.147
flat angles C4'-P-C4' energy: -181.223
flat angles P-C4'-P energy: -122.003
tors. eta vs tors. theta energy: -241.140
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: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2665.300739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.300739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.133116 (E_RNA)
where:
Base-Base interactions energy: -1841.735
where: short stacking energy: -783.713
Base-Backbone interact. energy: 0.132
local terms energy: -825.530212
where:
bonds (distance) C4'-P energy: -148.748
bonds (distance) P-C4' energy: -142.710
flat angles C4'-P-C4' energy: -184.786
flat angles P-C4'-P energy: -112.797
tors. eta vs tors. theta energy: -236.490
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2574.045811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.045811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.740587 (E_RNA)
where:
Base-Base interactions energy: -1787.481
where: short stacking energy: -712.519
Base-Backbone interact. energy: 0.671
local terms energy: -789.930953
where:
bonds (distance) C4'-P energy: -158.580
bonds (distance) P-C4' energy: -150.910
flat angles C4'-P-C4' energy: -171.061
flat angles P-C4'-P energy: -109.576
tors. eta vs tors. theta energy: -199.805
Dist. restrs. and SS energy: 2.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2442.646642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.646642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.346197 (E_RNA)
where:
Base-Base interactions energy: -1667.037
where: short stacking energy: -730.308
Base-Backbone interact. energy: -5.276
local terms energy: -773.033431
where:
bonds (distance) C4'-P energy: -138.202
bonds (distance) P-C4' energy: -150.999
flat angles C4'-P-C4' energy: -178.011
flat angles P-C4'-P energy: -114.345
tors. eta vs tors. theta energy: -191.476
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: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2213.406811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.406811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.825150 (E_RNA)
where:
Base-Base interactions energy: -1483.868
where: short stacking energy: -655.546
Base-Backbone interact. energy: -1.837
local terms energy: -730.119730
where:
bonds (distance) C4'-P energy: -122.853
bonds (distance) P-C4' energy: -147.695
flat angles C4'-P-C4' energy: -167.127
flat angles P-C4'-P energy: -106.865
tors. eta vs tors. theta energy: -185.580
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: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2156.452724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.452724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.348493 (E_RNA)
where:
Base-Base interactions energy: -1447.580
where: short stacking energy: -638.231
Base-Backbone interact. energy: -3.391
local terms energy: -709.377418
where:
bonds (distance) C4'-P energy: -119.486
bonds (distance) P-C4' energy: -137.964
flat angles C4'-P-C4' energy: -163.869
flat angles P-C4'-P energy: -105.844
tors. eta vs tors. theta energy: -182.214
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: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -2088.238662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.238662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.928480 (E_RNA)
where:
Base-Base interactions energy: -1410.431
where: short stacking energy: -622.606
Base-Backbone interact. energy: 0.739
local terms energy: -681.237006
where:
bonds (distance) C4'-P energy: -141.177
bonds (distance) P-C4' energy: -130.061
flat angles C4'-P-C4' energy: -140.828
flat angles P-C4'-P energy: -90.677
tors. eta vs tors. theta energy: -178.494
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: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1936.690097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.690097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.227645 (E_RNA)
where:
Base-Base interactions energy: -1317.334
where: short stacking energy: -547.860
Base-Backbone interact. energy: -1.785
local terms energy: -621.108937
where:
bonds (distance) C4'-P energy: -123.657
bonds (distance) P-C4' energy: -151.002
flat angles C4'-P-C4' energy: -127.292
flat angles P-C4'-P energy: -85.415
tors. eta vs tors. theta energy: -133.743
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: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1874.259116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.259116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.460687 (E_RNA)
where:
Base-Base interactions energy: -1291.587
where: short stacking energy: -546.501
Base-Backbone interact. energy: 0.913
local terms energy: -589.786674
where:
bonds (distance) C4'-P energy: -125.376
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -145.686
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -123.430
Dist. restrs. and SS energy: 6.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2935.674407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.674407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.930182 (E_RNA)
where:
Base-Base interactions energy: -2046.534
where: short stacking energy: -816.809
Base-Backbone interact. energy: -1.371
local terms energy: -890.025174
where:
bonds (distance) C4'-P energy: -158.928
bonds (distance) P-C4' energy: -171.597
flat angles C4'-P-C4' energy: -182.761
flat angles P-C4'-P energy: -125.528
tors. eta vs tors. theta energy: -251.211
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: 363
Temperature: 0.950000
Total energy: -2814.292959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.832237 (E_RNA)
where:
Base-Base interactions energy: -1951.642
where: short stacking energy: -824.701
Base-Backbone interact. energy: -4.016
local terms energy: -859.174856
where:
bonds (distance) C4'-P energy: -156.596
bonds (distance) P-C4' energy: -157.786
flat angles C4'-P-C4' energy: -181.358
flat angles P-C4'-P energy: -116.380
tors. eta vs tors. theta energy: -247.054
Dist. restrs. and SS energy: 0.539 (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: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2651.038969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.038969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.898534 (E_RNA)
where:
Base-Base interactions energy: -1836.935
where: short stacking energy: -780.172
Base-Backbone interact. energy: -0.533
local terms energy: -815.430036
where:
bonds (distance) C4'-P energy: -139.560
bonds (distance) P-C4' energy: -158.965
flat angles C4'-P-C4' energy: -186.384
flat angles P-C4'-P energy: -111.690
tors. eta vs tors. theta energy: -218.831
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: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2594.056012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.056012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.701887 (E_RNA)
where:
Base-Base interactions energy: -1778.395
where: short stacking energy: -750.121
Base-Backbone interact. energy: -2.653
local terms energy: -814.653419
where:
bonds (distance) C4'-P energy: -144.705
bonds (distance) P-C4' energy: -146.069
flat angles C4'-P-C4' energy: -182.091
flat angles P-C4'-P energy: -128.119
tors. eta vs tors. theta energy: -213.669
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: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2422.773452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.773452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.779336 (E_RNA)
where:
Base-Base interactions energy: -1691.374
where: short stacking energy: -699.352
Base-Backbone interact. energy: -0.147
local terms energy: -733.257634
where:
bonds (distance) C4'-P energy: -140.391
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -149.509
flat angles P-C4'-P energy: -104.148
tors. eta vs tors. theta energy: -195.821
Dist. restrs. and SS energy: 2.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2183.356142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.356142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.030653 (E_RNA)
where:
Base-Base interactions energy: -1492.413
where: short stacking energy: -624.992
Base-Backbone interact. energy: 0.444
local terms energy: -693.061746
where:
bonds (distance) C4'-P energy: -140.920
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -159.034
flat angles P-C4'-P energy: -91.551
tors. eta vs tors. theta energy: -166.562
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: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2106.445630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.445630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.626390 (E_RNA)
where:
Base-Base interactions energy: -1428.284
where: short stacking energy: -638.739
Base-Backbone interact. energy: 7.631
local terms energy: -686.972437
where:
bonds (distance) C4'-P energy: -112.803
bonds (distance) P-C4' energy: -148.526
flat angles C4'-P-C4' energy: -154.400
flat angles P-C4'-P energy: -103.239
tors. eta vs tors. theta energy: -168.005
Dist. restrs. and SS energy: 1.181 (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: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1995.912787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.912787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.068327 (E_RNA)
where:
Base-Base interactions energy: -1335.211
where: short stacking energy: -572.102
Base-Backbone interact. energy: -3.545
local terms energy: -659.313035
where:
bonds (distance) C4'-P energy: -140.025
bonds (distance) P-C4' energy: -146.415
flat angles C4'-P-C4' energy: -144.795
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: -154.257
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: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1948.964180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.964180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.618756 (E_RNA)
where:
Base-Base interactions energy: -1302.095
where: short stacking energy: -518.043
Base-Backbone interact. energy: -1.570
local terms energy: -649.953222
where:
bonds (distance) C4'-P energy: -132.701
bonds (distance) P-C4' energy: -123.493
flat angles C4'-P-C4' energy: -147.090
flat angles P-C4'-P energy: -102.237
tors. eta vs tors. theta energy: -144.432
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: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1818.296308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.296308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.122590 (E_RNA)
where:
Base-Base interactions energy: -1235.332
where: short stacking energy: -518.102
Base-Backbone interact. energy: -0.646
local terms energy: -592.144165
where:
bonds (distance) C4'-P energy: -109.974
bonds (distance) P-C4' energy: -130.934
flat angles C4'-P-C4' energy: -136.724
flat angles P-C4'-P energy: -75.342
tors. eta vs tors. theta energy: -139.169
Dist. restrs. and SS energy: 9.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2911.424712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.424712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.385848 (E_RNA)
where:
Base-Base interactions energy: -2020.471
where: short stacking energy: -843.671
Base-Backbone interact. energy: -2.775
local terms energy: -890.140171
where:
bonds (distance) C4'-P energy: -165.424
bonds (distance) P-C4' energy: -173.192
flat angles C4'-P-C4' energy: -187.921
flat angles P-C4'-P energy: -122.064
tors. eta vs tors. theta energy: -241.539
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: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2833.149639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.149639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.663616 (E_RNA)
where:
Base-Base interactions energy: -1942.865
where: short stacking energy: -822.523
Base-Backbone interact. energy: -3.681
local terms energy: -888.117375
where:
bonds (distance) C4'-P energy: -147.003
bonds (distance) P-C4' energy: -168.557
flat angles C4'-P-C4' energy: -183.510
flat angles P-C4'-P energy: -136.976
tors. eta vs tors. theta energy: -252.072
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: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2655.414210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.414210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.010347 (E_RNA)
where:
Base-Base interactions energy: -1815.896
where: short stacking energy: -774.209
Base-Backbone interact. energy: 1.334
local terms energy: -842.448307
where:
bonds (distance) C4'-P energy: -176.892
bonds (distance) P-C4' energy: -156.994
flat angles C4'-P-C4' energy: -185.170
flat angles P-C4'-P energy: -101.814
tors. eta vs tors. theta energy: -221.578
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2553.384347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.384347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.910923 (E_RNA)
where:
Base-Base interactions energy: -1754.666
where: short stacking energy: -751.646
Base-Backbone interact. energy: -5.131
local terms energy: -795.114016
where:
bonds (distance) C4'-P energy: -145.271
bonds (distance) P-C4' energy: -147.175
flat angles C4'-P-C4' energy: -167.054
flat angles P-C4'-P energy: -117.623
tors. eta vs tors. theta energy: -217.990
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: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2426.191580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.191580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.054307 (E_RNA)
where:
Base-Base interactions energy: -1663.164
where: short stacking energy: -704.819
Base-Backbone interact. energy: -0.259
local terms energy: -764.631517
where:
bonds (distance) C4'-P energy: -133.359
bonds (distance) P-C4' energy: -135.392
flat angles C4'-P-C4' energy: -172.219
flat angles P-C4'-P energy: -123.333
tors. eta vs tors. theta energy: -200.328
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: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2164.101921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.101921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.331159 (E_RNA)
where:
Base-Base interactions energy: -1457.794
where: short stacking energy: -638.945
Base-Backbone interact. energy: -2.895
local terms energy: -705.642070
where:
bonds (distance) C4'-P energy: -135.824
bonds (distance) P-C4' energy: -145.332
flat angles C4'-P-C4' energy: -152.695
flat angles P-C4'-P energy: -98.675
tors. eta vs tors. theta energy: -173.117
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2135.235831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.235831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.901349 (E_RNA)
where:
Base-Base interactions energy: -1434.026
where: short stacking energy: -629.670
Base-Backbone interact. energy: 7.452
local terms energy: -710.327318
where:
bonds (distance) C4'-P energy: -158.782
bonds (distance) P-C4' energy: -142.648
flat angles C4'-P-C4' energy: -142.892
flat angles P-C4'-P energy: -97.477
tors. eta vs tors. theta energy: -168.528
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: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2013.730295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.730295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.902233 (E_RNA)
where:
Base-Base interactions energy: -1387.844
where: short stacking energy: -593.535
Base-Backbone interact. energy: -0.289
local terms energy: -627.769058
where:
bonds (distance) C4'-P energy: -136.008
bonds (distance) P-C4' energy: -115.014
flat angles C4'-P-C4' energy: -143.022
flat angles P-C4'-P energy: -86.525
tors. eta vs tors. theta energy: -147.200
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: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1903.219471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.219471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.467415 (E_RNA)
where:
Base-Base interactions energy: -1297.328
where: short stacking energy: -545.326
Base-Backbone interact. energy: -1.713
local terms energy: -608.426193
where:
bonds (distance) C4'-P energy: -111.498
bonds (distance) P-C4' energy: -136.821
flat angles C4'-P-C4' energy: -147.967
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -124.608
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1895.250153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.250153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.571159 (E_RNA)
where:
Base-Base interactions energy: -1302.982
where: short stacking energy: -559.173
Base-Backbone interact. energy: -4.368
local terms energy: -591.222039
where:
bonds (distance) C4'-P energy: -115.687
bonds (distance) P-C4' energy: -115.433
flat angles C4'-P-C4' energy: -145.831
flat angles P-C4'-P energy: -80.184
tors. eta vs tors. theta energy: -134.086
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: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2947.680017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.680017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.674748 (E_RNA)
where:
Base-Base interactions energy: -2078.806
where: short stacking energy: -856.746
Base-Backbone interact. energy: -6.129
local terms energy: -864.740386
where:
bonds (distance) C4'-P energy: -160.426
bonds (distance) P-C4' energy: -159.911
flat angles C4'-P-C4' energy: -186.775
flat angles P-C4'-P energy: -112.162
tors. eta vs tors. theta energy: -245.467
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: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2841.106500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.106500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.679681 (E_RNA)
where:
Base-Base interactions energy: -1965.847
where: short stacking energy: -845.951
Base-Backbone interact. energy: -4.033
local terms energy: -872.799812
where:
bonds (distance) C4'-P energy: -156.902
bonds (distance) P-C4' energy: -152.770
flat angles C4'-P-C4' energy: -185.220
flat angles P-C4'-P energy: -125.777
tors. eta vs tors. theta energy: -252.131
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: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2656.833588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.833588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.655377 (E_RNA)
where:
Base-Base interactions energy: -1838.867
where: short stacking energy: -774.804
Base-Backbone interact. energy: 1.378
local terms energy: -821.166091
where:
bonds (distance) C4'-P energy: -152.118
bonds (distance) P-C4' energy: -154.778
flat angles C4'-P-C4' energy: -182.553
flat angles P-C4'-P energy: -112.989
tors. eta vs tors. theta energy: -218.728
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: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2550.740204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.740204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.679145 (E_RNA)
where:
Base-Base interactions energy: -1768.816
where: short stacking energy: -730.461
Base-Backbone interact. energy: -0.898
local terms energy: -782.965409
where:
bonds (distance) C4'-P energy: -146.703
bonds (distance) P-C4' energy: -148.828
flat angles C4'-P-C4' energy: -172.389
flat angles P-C4'-P energy: -105.194
tors. eta vs tors. theta energy: -209.851
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: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2329.801267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.801267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.428981 (E_RNA)
where:
Base-Base interactions energy: -1568.706
where: short stacking energy: -668.965
Base-Backbone interact. energy: 1.535
local terms energy: -764.257838
where:
bonds (distance) C4'-P energy: -144.483
bonds (distance) P-C4' energy: -151.131
flat angles C4'-P-C4' energy: -165.164
flat angles P-C4'-P energy: -110.984
tors. eta vs tors. theta energy: -192.495
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: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2233.899680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.899680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.950827 (E_RNA)
where:
Base-Base interactions energy: -1515.596
where: short stacking energy: -662.331
Base-Backbone interact. energy: 3.473
local terms energy: -723.828554
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -154.310
flat angles C4'-P-C4' energy: -161.861
flat angles P-C4'-P energy: -111.368
tors. eta vs tors. theta energy: -170.946
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: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2130.875922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.875922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.028754 (E_RNA)
where:
Base-Base interactions energy: -1428.885
where: short stacking energy: -642.333
Base-Backbone interact. energy: 1.127
local terms energy: -708.270489
where:
bonds (distance) C4'-P energy: -134.699
bonds (distance) P-C4' energy: -143.613
flat angles C4'-P-C4' energy: -153.764
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -184.985
Dist. restrs. and SS energy: 5.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1980.753846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.753846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.463137 (E_RNA)
where:
Base-Base interactions energy: -1336.553
where: short stacking energy: -575.502
Base-Backbone interact. energy: -3.506
local terms energy: -643.404181
where:
bonds (distance) C4'-P energy: -139.429
bonds (distance) P-C4' energy: -132.291
flat angles C4'-P-C4' energy: -149.885
flat angles P-C4'-P energy: -74.937
tors. eta vs tors. theta energy: -146.862
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: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1928.557734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.557734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.507239 (E_RNA)
where:
Base-Base interactions energy: -1259.481
where: short stacking energy: -521.345
Base-Backbone interact. energy: -3.209
local terms energy: -669.817147
where:
bonds (distance) C4'-P energy: -148.293
bonds (distance) P-C4' energy: -157.508
flat angles C4'-P-C4' energy: -149.319
flat angles P-C4'-P energy: -81.790
tors. eta vs tors. theta energy: -132.907
Dist. restrs. and SS energy: 3.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -1910.854033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.854033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.676021 (E_RNA)
where:
Base-Base interactions energy: -1304.246
where: short stacking energy: -533.294
Base-Backbone interact. energy: -1.641
local terms energy: -607.788638
where:
bonds (distance) C4'-P energy: -116.457
bonds (distance) P-C4' energy: -121.994
flat angles C4'-P-C4' energy: -162.041
flat angles P-C4'-P energy: -74.846
tors. eta vs tors. theta energy: -132.450
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2922.537756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.537756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.242730 (E_RNA)
where:
Base-Base interactions energy: -2057.635
where: short stacking energy: -837.143
Base-Backbone interact. energy: -2.496
local terms energy: -863.112174
where:
bonds (distance) C4'-P energy: -162.448
bonds (distance) P-C4' energy: -154.750
flat angles C4'-P-C4' energy: -181.928
flat angles P-C4'-P energy: -122.184
tors. eta vs tors. theta energy: -241.802
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2828.131829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.131829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.602476 (E_RNA)
where:
Base-Base interactions energy: -1949.466
where: short stacking energy: -820.936
Base-Backbone interact. energy: -3.896
local terms energy: -876.239637
where:
bonds (distance) C4'-P energy: -160.701
bonds (distance) P-C4' energy: -156.503
flat angles C4'-P-C4' energy: -197.056
flat angles P-C4'-P energy: -121.611
tors. eta vs tors. theta energy: -240.368
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: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2695.866170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.866170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.855573 (E_RNA)
where:
Base-Base interactions energy: -1876.050
where: short stacking energy: -775.208
Base-Backbone interact. energy: -3.715
local terms energy: -818.090750
where:
bonds (distance) C4'-P energy: -154.995
bonds (distance) P-C4' energy: -151.925
flat angles C4'-P-C4' energy: -165.279
flat angles P-C4'-P energy: -117.831
tors. eta vs tors. theta energy: -228.061
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2546.507918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.507918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.232820 (E_RNA)
where:
Base-Base interactions energy: -1756.685
where: short stacking energy: -730.715
Base-Backbone interact. energy: 3.667
local terms energy: -796.214973
where:
bonds (distance) C4'-P energy: -153.712
bonds (distance) P-C4' energy: -142.436
flat angles C4'-P-C4' energy: -166.964
flat angles P-C4'-P energy: -118.648
tors. eta vs tors. theta energy: -214.455
Dist. restrs. and SS energy: 2.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2372.870198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.870198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.392149 (E_RNA)
where:
Base-Base interactions energy: -1585.014
where: short stacking energy: -694.344
Base-Backbone interact. energy: -2.417
local terms energy: -786.961274
where:
bonds (distance) C4'-P energy: -155.036
bonds (distance) P-C4' energy: -146.595
flat angles C4'-P-C4' energy: -159.381
flat angles P-C4'-P energy: -119.705
tors. eta vs tors. theta energy: -206.244
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2200.877285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.877285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.064219 (E_RNA)
where:
Base-Base interactions energy: -1513.152
where: short stacking energy: -670.621
Base-Backbone interact. energy: -1.218
local terms energy: -688.693756
where:
bonds (distance) C4'-P energy: -139.280
bonds (distance) P-C4' energy: -125.444
flat angles C4'-P-C4' energy: -149.352
flat angles P-C4'-P energy: -96.763
tors. eta vs tors. theta energy: -177.855
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: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2112.694521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.694521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.363794 (E_RNA)
where:
Base-Base interactions energy: -1392.809
where: short stacking energy: -572.223
Base-Backbone interact. energy: -2.851
local terms energy: -718.703499
where:
bonds (distance) C4'-P energy: -130.882
bonds (distance) P-C4' energy: -160.202
flat angles C4'-P-C4' energy: -150.574
flat angles P-C4'-P energy: -112.354
tors. eta vs tors. theta energy: -164.690
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1944.979064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.979064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.500569 (E_RNA)
where:
Base-Base interactions energy: -1352.637
where: short stacking energy: -553.333
Base-Backbone interact. energy: -3.021
local terms energy: -591.842628
where:
bonds (distance) C4'-P energy: -119.206
bonds (distance) P-C4' energy: -121.058
flat angles C4'-P-C4' energy: -145.510
flat angles P-C4'-P energy: -82.024
tors. eta vs tors. theta energy: -124.045
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: 9, replica: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1892.499727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.499727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.236590 (E_RNA)
where:
Base-Base interactions energy: -1282.026
where: short stacking energy: -549.093
Base-Backbone interact. energy: -2.259
local terms energy: -611.951631
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -138.657
flat angles C4'-P-C4' energy: -131.762
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -145.969
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1816.543900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.543900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.519639 (E_RNA)
where:
Base-Base interactions energy: -1247.007
where: short stacking energy: -512.638
Base-Backbone interact. energy: 8.757
local terms energy: -581.269379
where:
bonds (distance) C4'-P energy: -114.467
bonds (distance) P-C4' energy: -134.286
flat angles C4'-P-C4' energy: -135.965
flat angles P-C4'-P energy: -65.884
tors. eta vs tors. theta energy: -130.667
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: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2885.110851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.110851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.878820 (E_RNA)
where:
Base-Base interactions energy: -2026.318
where: short stacking energy: -867.547
Base-Backbone interact. energy: -2.693
local terms energy: -857.867447
where:
bonds (distance) C4'-P energy: -161.070
bonds (distance) P-C4' energy: -143.807
flat angles C4'-P-C4' energy: -173.971
flat angles P-C4'-P energy: -130.313
tors. eta vs tors. theta energy: -248.706
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: 2, replica: 9
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2839.623554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.623554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.355530 (E_RNA)
where:
Base-Base interactions energy: -1969.074
where: short stacking energy: -808.248
Base-Backbone interact. energy: 0.520
local terms energy: -872.802109
where:
bonds (distance) C4'-P energy: -160.995
bonds (distance) P-C4' energy: -166.149
flat angles C4'-P-C4' energy: -188.209
flat angles P-C4'-P energy: -124.668
tors. eta vs tors. theta energy: -232.781
Dist. restrs. and SS energy: 1.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2683.103143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.103143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.547863 (E_RNA)
where:
Base-Base interactions energy: -1834.203
where: short stacking energy: -740.808
Base-Backbone interact. energy: -5.158
local terms energy: -846.186450
where:
bonds (distance) C4'-P energy: -148.332
bonds (distance) P-C4' energy: -164.916
flat angles C4'-P-C4' energy: -180.087
flat angles P-C4'-P energy: -127.109
tors. eta vs tors. theta energy: -225.742
Dist. restrs. and SS energy: 2.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2522.997258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.997258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.584120 (E_RNA)
where:
Base-Base interactions energy: -1754.785
where: short stacking energy: -732.641
Base-Backbone interact. energy: 5.344
local terms energy: -775.143234
where:
bonds (distance) C4'-P energy: -144.690
bonds (distance) P-C4' energy: -144.940
flat angles C4'-P-C4' energy: -163.689
flat angles P-C4'-P energy: -110.422
tors. eta vs tors. theta energy: -211.402
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: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2365.550914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.550914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.390342 (E_RNA)
where:
Base-Base interactions energy: -1609.552
where: short stacking energy: -717.978
Base-Backbone interact. energy: 1.271
local terms energy: -759.109737
where:
bonds (distance) C4'-P energy: -144.509
bonds (distance) P-C4' energy: -145.324
flat angles C4'-P-C4' energy: -165.489
flat angles P-C4'-P energy: -103.981
tors. eta vs tors. theta energy: -199.806
Dist. restrs. and SS energy: 1.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2168.658267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.658267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.965880 (E_RNA)
where:
Base-Base interactions energy: -1446.929
where: short stacking energy: -644.908
Base-Backbone interact. energy: 2.396
local terms energy: -725.432513
where:
bonds (distance) C4'-P energy: -158.170
bonds (distance) P-C4' energy: -144.329
flat angles C4'-P-C4' energy: -158.581
flat angles P-C4'-P energy: -98.487
tors. eta vs tors. theta energy: -165.866
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2130.365875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.365875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.079666 (E_RNA)
where:
Base-Base interactions energy: -1416.916
where: short stacking energy: -588.873
Base-Backbone interact. energy: -1.376
local terms energy: -714.787140
where:
bonds (distance) C4'-P energy: -125.412
bonds (distance) P-C4' energy: -150.312
flat angles C4'-P-C4' energy: -167.898
flat angles P-C4'-P energy: -104.779
tors. eta vs tors. theta energy: -166.386
Dist. restrs. and SS energy: 2.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1984.302427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.302427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.461012 (E_RNA)
where:
Base-Base interactions energy: -1364.370
where: short stacking energy: -580.636
Base-Backbone interact. energy: -1.179
local terms energy: -621.912097
where:
bonds (distance) C4'-P energy: -122.789
bonds (distance) P-C4' energy: -130.661
flat angles C4'-P-C4' energy: -136.477
flat angles P-C4'-P energy: -94.792
tors. eta vs tors. theta energy: -137.193
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1885.174075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.174075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.897428 (E_RNA)
where:
Base-Base interactions energy: -1291.669
where: short stacking energy: -533.953
Base-Backbone interact. energy: -3.169
local terms energy: -593.058970
where:
bonds (distance) C4'-P energy: -116.271
bonds (distance) P-C4' energy: -136.042
flat angles C4'-P-C4' energy: -130.362
flat angles P-C4'-P energy: -90.230
tors. eta vs tors. theta energy: -120.154
Dist. restrs. and SS energy: 2.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -1874.995625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.995625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.409479 (E_RNA)
where:
Base-Base interactions energy: -1284.002
where: short stacking energy: -529.276
Base-Backbone interact. energy: 13.240
local terms energy: -607.646705
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -133.944
flat angles C4'-P-C4' energy: -121.280
flat angles P-C4'-P energy: -100.109
tors. eta vs tors. theta energy: -145.846
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: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2902.802633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.802633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.817118 (E_RNA)
where:
Base-Base interactions energy: -2029.970
where: short stacking energy: -843.389
Base-Backbone interact. energy: -1.991
local terms energy: -871.856516
where:
bonds (distance) C4'-P energy: -156.554
bonds (distance) P-C4' energy: -163.587
flat angles C4'-P-C4' energy: -185.767
flat angles P-C4'-P energy: -123.932
tors. eta vs tors. theta energy: -242.017
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: 368
Temperature: 0.950000
Total energy: -2839.173236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.173236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.572928 (E_RNA)
where:
Base-Base interactions energy: -1966.273
where: short stacking energy: -829.630
Base-Backbone interact. energy: 0.144
local terms energy: -874.444512
where:
bonds (distance) C4'-P energy: -152.561
bonds (distance) P-C4' energy: -162.927
flat angles C4'-P-C4' energy: -189.617
flat angles P-C4'-P energy: -120.942
tors. eta vs tors. theta energy: -248.397
Dist. restrs. and SS energy: 1.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2703.474241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.474241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.807964 (E_RNA)
where:
Base-Base interactions energy: -1854.632
where: short stacking energy: -787.082
Base-Backbone interact. energy: -4.310
local terms energy: -846.866613
where:
bonds (distance) C4'-P energy: -140.967
bonds (distance) P-C4' energy: -171.147
flat angles C4'-P-C4' energy: -181.342
flat angles P-C4'-P energy: -125.885
tors. eta vs tors. theta energy: -227.525
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: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2518.446243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.446243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.045253 (E_RNA)
where:
Base-Base interactions energy: -1744.152
where: short stacking energy: -724.553
Base-Backbone interact. energy: -4.424
local terms energy: -773.470114
where:
bonds (distance) C4'-P energy: -140.967
bonds (distance) P-C4' energy: -138.994
flat angles C4'-P-C4' energy: -163.175
flat angles P-C4'-P energy: -125.506
tors. eta vs tors. theta energy: -204.827
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: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2300.651455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.651455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.667656 (E_RNA)
where:
Base-Base interactions energy: -1581.625
where: short stacking energy: -668.150
Base-Backbone interact. energy: 4.401
local terms energy: -725.443701
where:
bonds (distance) C4'-P energy: -137.101
bonds (distance) P-C4' energy: -149.568
flat angles C4'-P-C4' energy: -178.356
flat angles P-C4'-P energy: -83.522
tors. eta vs tors. theta energy: -176.897
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2174.998317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.998317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.458674 (E_RNA)
where:
Base-Base interactions energy: -1466.170
where: short stacking energy: -644.819
Base-Backbone interact. energy: -0.786
local terms energy: -710.502740
where:
bonds (distance) C4'-P energy: -135.635
bonds (distance) P-C4' energy: -134.980
flat angles C4'-P-C4' energy: -165.720
flat angles P-C4'-P energy: -104.693
tors. eta vs tors. theta energy: -169.474
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2141.379709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.379709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.601474 (E_RNA)
where:
Base-Base interactions energy: -1426.040
where: short stacking energy: -613.574
Base-Backbone interact. energy: -1.489
local terms energy: -715.072536
where:
bonds (distance) C4'-P energy: -158.418
bonds (distance) P-C4' energy: -138.564
flat angles C4'-P-C4' energy: -155.291
flat angles P-C4'-P energy: -98.164
tors. eta vs tors. theta energy: -164.635
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2014.229892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.229892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.741916 (E_RNA)
where:
Base-Base interactions energy: -1316.806
where: short stacking energy: -547.126
Base-Backbone interact. energy: 0.589
local terms energy: -700.525072
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -151.009
flat angles C4'-P-C4' energy: -159.406
flat angles P-C4'-P energy: -103.550
tors. eta vs tors. theta energy: -155.496
Dist. restrs. and SS energy: 2.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1903.567103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.725827 (E_RNA)
where:
Base-Base interactions energy: -1293.668
where: short stacking energy: -545.711
Base-Backbone interact. energy: -1.651
local terms energy: -611.407121
where:
bonds (distance) C4'-P energy: -131.984
bonds (distance) P-C4' energy: -133.347
flat angles C4'-P-C4' energy: -141.941
flat angles P-C4'-P energy: -81.930
tors. eta vs tors. theta energy: -122.206
Dist. restrs. and SS energy: 3.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1835.880339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.880339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.475071 (E_RNA)
where:
Base-Base interactions energy: -1269.226
where: short stacking energy: -528.355
Base-Backbone interact. energy: 3.480
local terms energy: -573.728795
where:
bonds (distance) C4'-P energy: -123.573
bonds (distance) P-C4' energy: -121.754
flat angles C4'-P-C4' energy: -144.184
flat angles P-C4'-P energy: -64.935
tors. eta vs tors. theta energy: -119.283
Dist. restrs. and SS energy: 3.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2899.576681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.576681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.491204 (E_RNA)
where:
Base-Base interactions energy: -1997.882
where: short stacking energy: -829.400
Base-Backbone interact. energy: -3.805
local terms energy: -898.804900
where:
bonds (distance) C4'-P energy: -166.702
bonds (distance) P-C4' energy: -172.464
flat angles C4'-P-C4' energy: -188.809
flat angles P-C4'-P energy: -124.850
tors. eta vs tors. theta energy: -245.980
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: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2836.682323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.682323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.672806 (E_RNA)
where:
Base-Base interactions energy: -1962.761
where: short stacking energy: -827.509
Base-Backbone interact. energy: -4.210
local terms energy: -870.701892
where:
bonds (distance) C4'-P energy: -153.035
bonds (distance) P-C4' energy: -158.125
flat angles C4'-P-C4' energy: -191.033
flat angles P-C4'-P energy: -129.128
tors. eta vs tors. theta energy: -239.382
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: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2679.778301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.778301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.444229 (E_RNA)
where:
Base-Base interactions energy: -1856.054
where: short stacking energy: -771.847
Base-Backbone interact. energy: -4.680
local terms energy: -822.710936
where:
bonds (distance) C4'-P energy: -150.359
bonds (distance) P-C4' energy: -155.886
flat angles C4'-P-C4' energy: -187.349
flat angles P-C4'-P energy: -108.285
tors. eta vs tors. theta energy: -220.832
Dist. restrs. and SS energy: 3.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2529.760101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.760101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.813729 (E_RNA)
where:
Base-Base interactions energy: -1719.634
where: short stacking energy: -737.613
Base-Backbone interact. energy: 5.174
local terms energy: -817.353225
where:
bonds (distance) C4'-P energy: -146.234
bonds (distance) P-C4' energy: -157.365
flat angles C4'-P-C4' energy: -186.142
flat angles P-C4'-P energy: -119.373
tors. eta vs tors. theta energy: -208.239
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: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2314.010722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.010722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.539506 (E_RNA)
where:
Base-Base interactions energy: -1578.424
where: short stacking energy: -662.300
Base-Backbone interact. energy: 0.664
local terms energy: -737.780102
where:
bonds (distance) C4'-P energy: -157.822
bonds (distance) P-C4' energy: -151.086
flat angles C4'-P-C4' energy: -165.928
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -178.889
Dist. restrs. and SS energy: 1.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2212.871750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.871750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.086314 (E_RNA)
where:
Base-Base interactions energy: -1477.673
where: short stacking energy: -633.835
Base-Backbone interact. energy: -1.561
local terms energy: -734.852361
where:
bonds (distance) C4'-P energy: -136.530
bonds (distance) P-C4' energy: -135.187
flat angles C4'-P-C4' energy: -164.469
flat angles P-C4'-P energy: -110.985
tors. eta vs tors. theta energy: -187.681
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: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2127.713538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.713538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.984597 (E_RNA)
where:
Base-Base interactions energy: -1410.084
where: short stacking energy: -612.498
Base-Backbone interact. energy: -0.789
local terms energy: -719.111988
where:
bonds (distance) C4'-P energy: -144.680
bonds (distance) P-C4' energy: -142.500
flat angles C4'-P-C4' energy: -165.355
flat angles P-C4'-P energy: -92.368
tors. eta vs tors. theta energy: -174.209
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2000.984608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.984608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.360300 (E_RNA)
where:
Base-Base interactions energy: -1361.980
where: short stacking energy: -558.530
Base-Backbone interact. energy: -1.001
local terms energy: -641.379048
where:
bonds (distance) C4'-P energy: -122.702
bonds (distance) P-C4' energy: -141.100
flat angles C4'-P-C4' energy: -132.994
flat angles P-C4'-P energy: -87.152
tors. eta vs tors. theta energy: -157.432
Dist. restrs. and SS energy: 3.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1897.797478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.797478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.863354 (E_RNA)
where:
Base-Base interactions energy: -1305.503
where: short stacking energy: -552.082
Base-Backbone interact. energy: -1.115
local terms energy: -596.245291
where:
bonds (distance) C4'-P energy: -78.394
bonds (distance) P-C4' energy: -158.480
flat angles C4'-P-C4' energy: -137.038
flat angles P-C4'-P energy: -97.412
tors. eta vs tors. theta energy: -124.921
Dist. restrs. and SS energy: 5.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1871.547644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.547644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.557936 (E_RNA)
where:
Base-Base interactions energy: -1281.197
where: short stacking energy: -518.339
Base-Backbone interact. energy: 2.125
local terms energy: -594.486726
where:
bonds (distance) C4'-P energy: -122.117
bonds (distance) P-C4' energy: -137.837
flat angles C4'-P-C4' energy: -143.632
flat angles P-C4'-P energy: -67.604
tors. eta vs tors. theta energy: -123.296
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: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2863.591736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2863.591736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2864.826100 (E_RNA)
where:
Base-Base interactions energy: -2019.678
where: short stacking energy: -828.250
Base-Backbone interact. energy: 0.276
local terms energy: -845.423848
where:
bonds (distance) C4'-P energy: -158.281
bonds (distance) P-C4' energy: -160.704
flat angles C4'-P-C4' energy: -168.275
flat angles P-C4'-P energy: -128.032
tors. eta vs tors. theta energy: -230.132
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: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2866.845477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.845477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.276419 (E_RNA)
where:
Base-Base interactions energy: -1989.183
where: short stacking energy: -859.835
Base-Backbone interact. energy: 2.748
local terms energy: -881.841193
where:
bonds (distance) C4'-P energy: -170.178
bonds (distance) P-C4' energy: -145.840
flat angles C4'-P-C4' energy: -183.496
flat angles P-C4'-P energy: -134.816
tors. eta vs tors. theta energy: -247.511
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2670.934633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.934633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.364828 (E_RNA)
where:
Base-Base interactions energy: -1850.610
where: short stacking energy: -782.908
Base-Backbone interact. energy: 0.051
local terms energy: -821.805503
where:
bonds (distance) C4'-P energy: -152.857
bonds (distance) P-C4' energy: -138.745
flat angles C4'-P-C4' energy: -186.147
flat angles P-C4'-P energy: -116.133
tors. eta vs tors. theta energy: -227.924
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: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2562.837435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.590836 (E_RNA)
where:
Base-Base interactions energy: -1763.548
where: short stacking energy: -730.201
Base-Backbone interact. energy: -4.461
local terms energy: -796.582435
where:
bonds (distance) C4'-P energy: -144.930
bonds (distance) P-C4' energy: -157.611
flat angles C4'-P-C4' energy: -167.062
flat angles P-C4'-P energy: -106.820
tors. eta vs tors. theta energy: -220.160
Dist. restrs. and SS energy: 1.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2326.206517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.206517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.397116 (E_RNA)
where:
Base-Base interactions energy: -1613.310
where: short stacking energy: -716.058
Base-Backbone interact. energy: -1.621
local terms energy: -714.466665
where:
bonds (distance) C4'-P energy: -107.359
bonds (distance) P-C4' energy: -137.542
flat angles C4'-P-C4' energy: -166.473
flat angles P-C4'-P energy: -107.874
tors. eta vs tors. theta energy: -195.219
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: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2242.277102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.277102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.325565 (E_RNA)
where:
Base-Base interactions energy: -1525.063
where: short stacking energy: -681.324
Base-Backbone interact. energy: -0.180
local terms energy: -720.082051
where:
bonds (distance) C4'-P energy: -146.665
bonds (distance) P-C4' energy: -128.681
flat angles C4'-P-C4' energy: -154.994
flat angles P-C4'-P energy: -91.917
tors. eta vs tors. theta energy: -197.825
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: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2078.227675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.227675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.729968 (E_RNA)
where:
Base-Base interactions energy: -1395.690
where: short stacking energy: -597.168
Base-Backbone interact. energy: 0.270
local terms energy: -685.310324
where:
bonds (distance) C4'-P energy: -127.226
bonds (distance) P-C4' energy: -146.774
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -95.957
tors. eta vs tors. theta energy: -167.108
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: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2009.200977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.200977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.533706 (E_RNA)
where:
Base-Base interactions energy: -1356.151
where: short stacking energy: -569.557
Base-Backbone interact. energy: -3.198
local terms energy: -652.184736
where:
bonds (distance) C4'-P energy: -153.781
bonds (distance) P-C4' energy: -134.590
flat angles C4'-P-C4' energy: -128.341
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -141.003
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: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1881.431526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.431526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.552451 (E_RNA)
where:
Base-Base interactions energy: -1291.634
where: short stacking energy: -522.443
Base-Backbone interact. energy: 2.094
local terms energy: -596.013208
where:
bonds (distance) C4'-P energy: -123.587
bonds (distance) P-C4' energy: -122.265
flat angles C4'-P-C4' energy: -135.686
flat angles P-C4'-P energy: -92.549
tors. eta vs tors. theta energy: -121.926
Dist. restrs. and SS energy: 4.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1865.821946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.821946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.371498 (E_RNA)
where:
Base-Base interactions energy: -1282.452
where: short stacking energy: -529.964
Base-Backbone interact. energy: 3.164
local terms energy: -590.083230
where:
bonds (distance) C4'-P energy: -115.048
bonds (distance) P-C4' energy: -132.605
flat angles C4'-P-C4' energy: -137.441
flat angles P-C4'-P energy: -85.333
tors. eta vs tors. theta energy: -119.656
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: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2880.762058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.762058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.973915 (E_RNA)
where:
Base-Base interactions energy: -2017.109
where: short stacking energy: -817.300
Base-Backbone interact. energy: -0.639
local terms energy: -864.226435
where:
bonds (distance) C4'-P energy: -159.773
bonds (distance) P-C4' energy: -155.534
flat angles C4'-P-C4' energy: -194.617
flat angles P-C4'-P energy: -116.523
tors. eta vs tors. theta energy: -237.779
Dist. restrs. and SS energy: 1.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2853.145183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.145183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.902806 (E_RNA)
where:
Base-Base interactions energy: -1966.772
where: short stacking energy: -842.081
Base-Backbone interact. energy: -4.957
local terms energy: -884.173046
where:
bonds (distance) C4'-P energy: -177.588
bonds (distance) P-C4' energy: -147.526
flat angles C4'-P-C4' energy: -187.793
flat angles P-C4'-P energy: -131.493
tors. eta vs tors. theta energy: -239.772
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: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2660.832815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.832815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.199013 (E_RNA)
where:
Base-Base interactions energy: -1834.843
where: short stacking energy: -785.246
Base-Backbone interact. energy: -4.410
local terms energy: -822.946193
where:
bonds (distance) C4'-P energy: -149.306
bonds (distance) P-C4' energy: -139.835
flat angles C4'-P-C4' energy: -177.391
flat angles P-C4'-P energy: -120.100
tors. eta vs tors. theta energy: -236.314
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2587.366112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.366112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.316731 (E_RNA)
where:
Base-Base interactions energy: -1803.859
where: short stacking energy: -744.182
Base-Backbone interact. energy: 1.576
local terms energy: -787.033884
where:
bonds (distance) C4'-P energy: -141.389
bonds (distance) P-C4' energy: -147.933
flat angles C4'-P-C4' energy: -167.323
flat angles P-C4'-P energy: -108.205
tors. eta vs tors. theta energy: -222.183
Dist. restrs. and SS energy: 1.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2328.299510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.299510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.961207 (E_RNA)
where:
Base-Base interactions energy: -1583.659
where: short stacking energy: -664.459
Base-Backbone interact. energy: -4.110
local terms energy: -742.192489
where:
bonds (distance) C4'-P energy: -142.308
bonds (distance) P-C4' energy: -144.054
flat angles C4'-P-C4' energy: -158.791
flat angles P-C4'-P energy: -106.441
tors. eta vs tors. theta energy: -190.599
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: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2212.343580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.343580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.897802 (E_RNA)
where:
Base-Base interactions energy: -1496.039
where: short stacking energy: -638.310
Base-Backbone interact. energy: -0.660
local terms energy: -717.198240
where:
bonds (distance) C4'-P energy: -128.997
bonds (distance) P-C4' energy: -140.797
flat angles C4'-P-C4' energy: -154.921
flat angles P-C4'-P energy: -109.599
tors. eta vs tors. theta energy: -182.884
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: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2103.778334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.778334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.489381 (E_RNA)
where:
Base-Base interactions energy: -1421.889
where: short stacking energy: -603.837
Base-Backbone interact. energy: -4.183
local terms energy: -680.417005
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -151.775
flat angles C4'-P-C4' energy: -159.989
flat angles P-C4'-P energy: -89.311
tors. eta vs tors. theta energy: -158.630
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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2024.388089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.388089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.535503 (E_RNA)
where:
Base-Base interactions energy: -1348.067
where: short stacking energy: -546.104
Base-Backbone interact. energy: -0.726
local terms energy: -677.741831
where:
bonds (distance) C4'-P energy: -124.511
bonds (distance) P-C4' energy: -137.337
flat angles C4'-P-C4' energy: -156.957
flat angles P-C4'-P energy: -103.576
tors. eta vs tors. theta energy: -155.362
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: 9, replica: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1936.482146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.482146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.008522 (E_RNA)
where:
Base-Base interactions energy: -1318.029
where: short stacking energy: -543.527
Base-Backbone interact. energy: 1.260
local terms energy: -623.240059
where:
bonds (distance) C4'-P energy: -131.738
bonds (distance) P-C4' energy: -150.852
flat angles C4'-P-C4' energy: -135.553
flat angles P-C4'-P energy: -61.273
tors. eta vs tors. theta energy: -143.825
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: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -1850.933699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.933699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.368024 (E_RNA)
where:
Base-Base interactions energy: -1247.786
where: short stacking energy: -518.421
Base-Backbone interact. energy: 2.336
local terms energy: -609.918052
where:
bonds (distance) C4'-P energy: -139.168
bonds (distance) P-C4' energy: -134.249
flat angles C4'-P-C4' energy: -135.859
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -131.313
Dist. restrs. and SS energy: 4.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2915.803291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.803291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.033109 (E_RNA)
where:
Base-Base interactions energy: -2060.525
where: short stacking energy: -831.897
Base-Backbone interact. energy: 3.367
local terms energy: -859.875385
where:
bonds (distance) C4'-P energy: -165.731
bonds (distance) P-C4' energy: -157.367
flat angles C4'-P-C4' energy: -175.693
flat angles P-C4'-P energy: -123.401
tors. eta vs tors. theta energy: -237.684
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2840.010534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.010534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.717756 (E_RNA)
where:
Base-Base interactions energy: -1955.741
where: short stacking energy: -814.539
Base-Backbone interact. energy: 3.698
local terms energy: -889.674642
where:
bonds (distance) C4'-P energy: -154.771
bonds (distance) P-C4' energy: -172.457
flat angles C4'-P-C4' energy: -181.083
flat angles P-C4'-P energy: -124.249
tors. eta vs tors. theta energy: -257.115
Dist. restrs. and SS energy: 1.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2661.848513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.848513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.019810 (E_RNA)
where:
Base-Base interactions energy: -1838.013
where: short stacking energy: -777.659
Base-Backbone interact. energy: -3.021
local terms energy: -821.985718
where:
bonds (distance) C4'-P energy: -158.382
bonds (distance) P-C4' energy: -141.992
flat angles C4'-P-C4' energy: -186.894
flat angles P-C4'-P energy: -112.550
tors. eta vs tors. theta energy: -222.168
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2545.534309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.534309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.362973 (E_RNA)
where:
Base-Base interactions energy: -1750.262
where: short stacking energy: -744.131
Base-Backbone interact. energy: 3.333
local terms energy: -801.433565
where:
bonds (distance) C4'-P energy: -150.574
bonds (distance) P-C4' energy: -154.187
flat angles C4'-P-C4' energy: -164.168
flat angles P-C4'-P energy: -114.650
tors. eta vs tors. theta energy: -217.856
Dist. restrs. and SS energy: 2.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2344.552759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.552759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.854464 (E_RNA)
where:
Base-Base interactions energy: -1588.872
where: short stacking energy: -677.474
Base-Backbone interact. energy: -0.357
local terms energy: -757.625589
where:
bonds (distance) C4'-P energy: -150.280
bonds (distance) P-C4' energy: -150.940
flat angles C4'-P-C4' energy: -171.687
flat angles P-C4'-P energy: -97.706
tors. eta vs tors. theta energy: -187.012
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: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2231.128076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.128076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.243747 (E_RNA)
where:
Base-Base interactions energy: -1498.840
where: short stacking energy: -655.186
Base-Backbone interact. energy: -5.253
local terms energy: -730.150525
where:
bonds (distance) C4'-P energy: -126.407
bonds (distance) P-C4' energy: -153.513
flat angles C4'-P-C4' energy: -156.377
flat angles P-C4'-P energy: -109.098
tors. eta vs tors. theta energy: -184.756
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: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2109.141097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.141097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.664797 (E_RNA)
where:
Base-Base interactions energy: -1414.944
where: short stacking energy: -604.026
Base-Backbone interact. energy: -2.213
local terms energy: -695.507631
where:
bonds (distance) C4'-P energy: -137.331
bonds (distance) P-C4' energy: -159.229
flat angles C4'-P-C4' energy: -150.696
flat angles P-C4'-P energy: -90.293
tors. eta vs tors. theta energy: -157.959
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: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2053.328692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.328692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.702795 (E_RNA)
where:
Base-Base interactions energy: -1390.020
where: short stacking energy: -575.044
Base-Backbone interact. energy: 1.447
local terms energy: -667.129439
where:
bonds (distance) C4'-P energy: -143.201
bonds (distance) P-C4' energy: -139.191
flat angles C4'-P-C4' energy: -137.762
flat angles P-C4'-P energy: -93.407
tors. eta vs tors. theta energy: -153.569
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1952.470962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.470962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.903151 (E_RNA)
where:
Base-Base interactions energy: -1348.185
where: short stacking energy: -573.739
Base-Backbone interact. energy: -4.751
local terms energy: -601.967147
where:
bonds (distance) C4'-P energy: -116.886
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -128.130
flat angles P-C4'-P energy: -76.776
tors. eta vs tors. theta energy: -155.542
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: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -1858.274400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.274400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.444061 (E_RNA)
where:
Base-Base interactions energy: -1288.812
where: short stacking energy: -522.494
Base-Backbone interact. energy: -0.936
local terms energy: -571.696034
where:
bonds (distance) C4'-P energy: -122.978
bonds (distance) P-C4' energy: -102.449
flat angles C4'-P-C4' energy: -142.729
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -130.281
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: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2899.599372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.599372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.982500 (E_RNA)
where:
Base-Base interactions energy: -2062.953
where: short stacking energy: -842.065
Base-Backbone interact. energy: -0.680
local terms energy: -837.349496
where:
bonds (distance) C4'-P energy: -156.238
bonds (distance) P-C4' energy: -147.346
flat angles C4'-P-C4' energy: -180.915
flat angles P-C4'-P energy: -117.916
tors. eta vs tors. theta energy: -234.935
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: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2829.148674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.148674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.734806 (E_RNA)
where:
Base-Base interactions energy: -1954.636
where: short stacking energy: -831.760
Base-Backbone interact. energy: 5.364
local terms energy: -881.462431
where:
bonds (distance) C4'-P energy: -158.727
bonds (distance) P-C4' energy: -170.898
flat angles C4'-P-C4' energy: -192.116
flat angles P-C4'-P energy: -122.562
tors. eta vs tors. theta energy: -237.159
Dist. restrs. and SS energy: 1.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2648.935021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.935021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.162277 (E_RNA)
where:
Base-Base interactions energy: -1838.786
where: short stacking energy: -770.080
Base-Backbone interact. energy: -5.145
local terms energy: -806.231283
where:
bonds (distance) C4'-P energy: -155.038
bonds (distance) P-C4' energy: -135.531
flat angles C4'-P-C4' energy: -183.677
flat angles P-C4'-P energy: -104.831
tors. eta vs tors. theta energy: -227.155
Dist. restrs. and SS energy: 1.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2544.947570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.947570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.102718 (E_RNA)
where:
Base-Base interactions energy: -1771.726
where: short stacking energy: -741.992
Base-Backbone interact. energy: 4.612
local terms energy: -778.988040
where:
bonds (distance) C4'-P energy: -130.223
bonds (distance) P-C4' energy: -151.236
flat angles C4'-P-C4' energy: -161.563
flat angles P-C4'-P energy: -120.380
tors. eta vs tors. theta energy: -215.585
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2337.006897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.006897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.108773 (E_RNA)
where:
Base-Base interactions energy: -1579.071
where: short stacking energy: -675.404
Base-Backbone interact. energy: 2.257
local terms energy: -762.294499
where:
bonds (distance) C4'-P energy: -135.637
bonds (distance) P-C4' energy: -154.957
flat angles C4'-P-C4' energy: -171.304
flat angles P-C4'-P energy: -110.652
tors. eta vs tors. theta energy: -189.744
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2217.477129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.477129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.177254 (E_RNA)
where:
Base-Base interactions energy: -1493.566
where: short stacking energy: -648.374
Base-Backbone interact. energy: -1.036
local terms energy: -724.575093
where:
bonds (distance) C4'-P energy: -129.179
bonds (distance) P-C4' energy: -139.337
flat angles C4'-P-C4' energy: -163.727
flat angles P-C4'-P energy: -113.066
tors. eta vs tors. theta energy: -179.267
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: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2126.990385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.990385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.480409 (E_RNA)
where:
Base-Base interactions energy: -1425.475
where: short stacking energy: -595.013
Base-Backbone interact. energy: -1.060
local terms energy: -703.945119
where:
bonds (distance) C4'-P energy: -133.945
bonds (distance) P-C4' energy: -154.422
flat angles C4'-P-C4' energy: -164.915
flat angles P-C4'-P energy: -96.532
tors. eta vs tors. theta energy: -154.131
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: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2032.425130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.425130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.735743 (E_RNA)
where:
Base-Base interactions energy: -1337.586
where: short stacking energy: -565.274
Base-Backbone interact. energy: -2.548
local terms energy: -693.602009
where:
bonds (distance) C4'-P energy: -147.804
bonds (distance) P-C4' energy: -142.635
flat angles C4'-P-C4' energy: -145.829
flat angles P-C4'-P energy: -95.236
tors. eta vs tors. theta energy: -162.099
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: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1987.066500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.066500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.744052 (E_RNA)
where:
Base-Base interactions energy: -1360.790
where: short stacking energy: -571.418
Base-Backbone interact. energy: 0.476
local terms energy: -629.429844
where:
bonds (distance) C4'-P energy: -115.267
bonds (distance) P-C4' energy: -115.887
flat angles C4'-P-C4' energy: -154.332
flat angles P-C4'-P energy: -86.114
tors. eta vs tors. theta energy: -157.830
Dist. restrs. and SS energy: 2.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -1852.547149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.547149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.998991 (E_RNA)
where:
Base-Base interactions energy: -1262.074
where: short stacking energy: -520.757
Base-Backbone interact. energy: 6.069
local terms energy: -598.994727
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -135.517
flat angles C4'-P-C4' energy: -136.651
flat angles P-C4'-P energy: -69.972
tors. eta vs tors. theta energy: -126.470
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: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2903.018206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.018206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.767130 (E_RNA)
where:
Base-Base interactions energy: -2029.780
where: short stacking energy: -810.640
Base-Backbone interact. energy: -3.253
local terms energy: -870.733887
where:
bonds (distance) C4'-P energy: -163.181
bonds (distance) P-C4' energy: -171.916
flat angles C4'-P-C4' energy: -177.618
flat angles P-C4'-P energy: -115.676
tors. eta vs tors. theta energy: -242.342
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2826.803164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.803164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.015881 (E_RNA)
where:
Base-Base interactions energy: -1971.829
where: short stacking energy: -788.926
Base-Backbone interact. energy: -2.365
local terms energy: -853.822773
where:
bonds (distance) C4'-P energy: -144.675
bonds (distance) P-C4' energy: -155.426
flat angles C4'-P-C4' energy: -190.350
flat angles P-C4'-P energy: -121.737
tors. eta vs tors. theta energy: -241.635
Dist. restrs. and SS energy: 1.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2651.045716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.542054 (E_RNA)
where:
Base-Base interactions energy: -1824.025
where: short stacking energy: -772.533
Base-Backbone interact. energy: -3.581
local terms energy: -825.935690
where:
bonds (distance) C4'-P energy: -143.315
bonds (distance) P-C4' energy: -152.990
flat angles C4'-P-C4' energy: -181.999
flat angles P-C4'-P energy: -120.201
tors. eta vs tors. theta energy: -227.430
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: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2541.880808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.880808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.641122 (E_RNA)
where:
Base-Base interactions energy: -1776.428
where: short stacking energy: -734.281
Base-Backbone interact. energy: 6.658
local terms energy: -774.870204
where:
bonds (distance) C4'-P energy: -149.923
bonds (distance) P-C4' energy: -149.387
flat angles C4'-P-C4' energy: -157.985
flat angles P-C4'-P energy: -110.502
tors. eta vs tors. theta energy: -207.073
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: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2341.647627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.647627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.051925 (E_RNA)
where:
Base-Base interactions energy: -1571.929
where: short stacking energy: -688.200
Base-Backbone interact. energy: -1.368
local terms energy: -769.754641
where:
bonds (distance) C4'-P energy: -157.918
bonds (distance) P-C4' energy: -151.490
flat angles C4'-P-C4' energy: -167.172
flat angles P-C4'-P energy: -95.584
tors. eta vs tors. theta energy: -197.591
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: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2180.297430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.297430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.779183 (E_RNA)
where:
Base-Base interactions energy: -1485.922
where: short stacking energy: -634.954
Base-Backbone interact. energy: -4.407
local terms energy: -691.450204
where:
bonds (distance) C4'-P energy: -130.269
bonds (distance) P-C4' energy: -134.345
flat angles C4'-P-C4' energy: -161.133
flat angles P-C4'-P energy: -98.611
tors. eta vs tors. theta energy: -167.093
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: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2125.195431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.195431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.309108 (E_RNA)
where:
Base-Base interactions energy: -1415.552
where: short stacking energy: -592.155
Base-Backbone interact. energy: -2.378
local terms energy: -712.379698
where:
bonds (distance) C4'-P energy: -133.321
bonds (distance) P-C4' energy: -145.332
flat angles C4'-P-C4' energy: -159.861
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -156.556
Dist. restrs. and SS energy: 5.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1995.353580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.353580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.011258 (E_RNA)
where:
Base-Base interactions energy: -1339.997
where: short stacking energy: -573.905
Base-Backbone interact. energy: -0.794
local terms energy: -658.220700
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -130.076
flat angles C4'-P-C4' energy: -144.524
flat angles P-C4'-P energy: -100.472
tors. eta vs tors. theta energy: -142.699
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: 374
Temperature: 1.300000
Total energy: -1956.327831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.327831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.679565 (E_RNA)
where:
Base-Base interactions energy: -1349.560
where: short stacking energy: -576.692
Base-Backbone interact. energy: -1.978
local terms energy: -610.141787
where:
bonds (distance) C4'-P energy: -114.854
bonds (distance) P-C4' energy: -126.497
flat angles C4'-P-C4' energy: -138.825
flat angles P-C4'-P energy: -96.536
tors. eta vs tors. theta energy: -133.429
Dist. restrs. and SS energy: 5.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -1859.163618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.163618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.811456 (E_RNA)
where:
Base-Base interactions energy: -1244.220
where: short stacking energy: -524.761
Base-Backbone interact. energy: -0.106
local terms energy: -618.485985
where:
bonds (distance) C4'-P energy: -145.229
bonds (distance) P-C4' energy: -130.989
flat angles C4'-P-C4' energy: -132.201
flat angles P-C4'-P energy: -78.459
tors. eta vs tors. theta energy: -131.609
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: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2945.843075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.843075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.679717 (E_RNA)
where:
Base-Base interactions energy: -2065.564
where: short stacking energy: -851.762
Base-Backbone interact. energy: -2.382
local terms energy: -878.733095
where:
bonds (distance) C4'-P energy: -160.401
bonds (distance) P-C4' energy: -167.139
flat angles C4'-P-C4' energy: -178.915
flat angles P-C4'-P energy: -124.747
tors. eta vs tors. theta energy: -247.532
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2821.462392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.462392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.290291 (E_RNA)
where:
Base-Base interactions energy: -1949.559
where: short stacking energy: -822.889
Base-Backbone interact. energy: -3.795
local terms energy: -869.936745
where:
bonds (distance) C4'-P energy: -140.024
bonds (distance) P-C4' energy: -165.490
flat angles C4'-P-C4' energy: -188.363
flat angles P-C4'-P energy: -129.207
tors. eta vs tors. theta energy: -246.853
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: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2649.638215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.638215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.414298 (E_RNA)
where:
Base-Base interactions energy: -1831.702
where: short stacking energy: -787.240
Base-Backbone interact. energy: -1.525
local terms energy: -817.186546
where:
bonds (distance) C4'-P energy: -134.269
bonds (distance) P-C4' energy: -162.356
flat angles C4'-P-C4' energy: -189.193
flat angles P-C4'-P energy: -106.172
tors. eta vs tors. theta energy: -225.196
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2545.487000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.487000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.544832 (E_RNA)
where:
Base-Base interactions energy: -1726.223
where: short stacking energy: -724.835
Base-Backbone interact. energy: 1.900
local terms energy: -823.222104
where:
bonds (distance) C4'-P energy: -167.241
bonds (distance) P-C4' energy: -166.364
flat angles C4'-P-C4' energy: -159.757
flat angles P-C4'-P energy: -119.699
tors. eta vs tors. theta energy: -210.162
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2385.488205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.488205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.352738 (E_RNA)
where:
Base-Base interactions energy: -1606.936
where: short stacking energy: -705.127
Base-Backbone interact. energy: -1.927
local terms energy: -778.489769
where:
bonds (distance) C4'-P energy: -137.154
bonds (distance) P-C4' energy: -160.340
flat angles C4'-P-C4' energy: -176.742
flat angles P-C4'-P energy: -104.536
tors. eta vs tors. theta energy: -199.718
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: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2205.279316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.279316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.728672 (E_RNA)
where:
Base-Base interactions energy: -1484.882
where: short stacking energy: -647.551
Base-Backbone interact. energy: 4.656
local terms energy: -727.502958
where:
bonds (distance) C4'-P energy: -144.300
bonds (distance) P-C4' energy: -151.921
flat angles C4'-P-C4' energy: -162.711
flat angles P-C4'-P energy: -98.532
tors. eta vs tors. theta energy: -170.039
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: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2148.860897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.860897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.808468 (E_RNA)
where:
Base-Base interactions energy: -1435.983
where: short stacking energy: -626.804
Base-Backbone interact. energy: -3.811
local terms energy: -711.014085
where:
bonds (distance) C4'-P energy: -128.104
bonds (distance) P-C4' energy: -150.370
flat angles C4'-P-C4' energy: -159.514
flat angles P-C4'-P energy: -95.543
tors. eta vs tors. theta energy: -177.482
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: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -2047.243088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.243088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.517932 (E_RNA)
where:
Base-Base interactions energy: -1387.801
where: short stacking energy: -594.721
Base-Backbone interact. energy: -0.031
local terms energy: -662.685520
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -147.469
flat angles C4'-P-C4' energy: -139.645
flat angles P-C4'-P energy: -91.255
tors. eta vs tors. theta energy: -146.898
Dist. restrs. and SS energy: 3.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1957.728797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.728797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.804892 (E_RNA)
where:
Base-Base interactions energy: -1326.129
where: short stacking energy: -571.563
Base-Backbone interact. energy: 0.998
local terms energy: -634.674039
where:
bonds (distance) C4'-P energy: -126.406
bonds (distance) P-C4' energy: -139.056
flat angles C4'-P-C4' energy: -135.119
flat angles P-C4'-P energy: -96.508
tors. eta vs tors. theta energy: -137.585
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: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -1888.728392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.728392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.167554 (E_RNA)
where:
Base-Base interactions energy: -1261.927
where: short stacking energy: -520.672
Base-Backbone interact. energy: 4.679
local terms energy: -635.919898
where:
bonds (distance) C4'-P energy: -117.302
bonds (distance) P-C4' energy: -143.428
flat angles C4'-P-C4' energy: -150.430
flat angles P-C4'-P energy: -84.271
tors. eta vs tors. theta energy: -140.489
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: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2907.306369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.306369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.472425 (E_RNA)
where:
Base-Base interactions energy: -2039.146
where: short stacking energy: -834.558
Base-Backbone interact. energy: -3.639
local terms energy: -866.687536
where:
bonds (distance) C4'-P energy: -149.657
bonds (distance) P-C4' energy: -168.152
flat angles C4'-P-C4' energy: -180.159
flat angles P-C4'-P energy: -134.687
tors. eta vs tors. theta energy: -234.032
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: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2833.810724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.810724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.989363 (E_RNA)
where:
Base-Base interactions energy: -1960.200
where: short stacking energy: -818.653
Base-Backbone interact. energy: -3.947
local terms energy: -871.842962
where:
bonds (distance) C4'-P energy: -146.653
bonds (distance) P-C4' energy: -154.180
flat angles C4'-P-C4' energy: -175.866
flat angles P-C4'-P energy: -143.624
tors. eta vs tors. theta energy: -251.520
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2671.584596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.584596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.382278 (E_RNA)
where:
Base-Base interactions energy: -1833.339
where: short stacking energy: -773.532
Base-Backbone interact. energy: -0.110
local terms energy: -839.933606
where:
bonds (distance) C4'-P energy: -148.456
bonds (distance) P-C4' energy: -157.744
flat angles C4'-P-C4' energy: -185.465
flat angles P-C4'-P energy: -112.496
tors. eta vs tors. theta energy: -235.772
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: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2553.484460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.484460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.050168 (E_RNA)
where:
Base-Base interactions energy: -1770.168
where: short stacking energy: -756.342
Base-Backbone interact. energy: -4.370
local terms energy: -780.512077
where:
bonds (distance) C4'-P energy: -123.292
bonds (distance) P-C4' energy: -147.036
flat angles C4'-P-C4' energy: -168.817
flat angles P-C4'-P energy: -120.827
tors. eta vs tors. theta energy: -220.540
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: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2398.506415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.506415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.926153 (E_RNA)
where:
Base-Base interactions energy: -1630.369
where: short stacking energy: -688.068
Base-Backbone interact. energy: -3.371
local terms energy: -767.185860
where:
bonds (distance) C4'-P energy: -149.666
bonds (distance) P-C4' energy: -143.212
flat angles C4'-P-C4' energy: -176.527
flat angles P-C4'-P energy: -97.702
tors. eta vs tors. theta energy: -200.079
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2236.569634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.569634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.663029 (E_RNA)
where:
Base-Base interactions energy: -1523.516
where: short stacking energy: -681.733
Base-Backbone interact. energy: -1.714
local terms energy: -712.433069
where:
bonds (distance) C4'-P energy: -127.302
bonds (distance) P-C4' energy: -146.992
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -188.888
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: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2072.769009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.769009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.137485 (E_RNA)
where:
Base-Base interactions energy: -1395.461
where: short stacking energy: -580.983
Base-Backbone interact. energy: -1.150
local terms energy: -677.526594
where:
bonds (distance) C4'-P energy: -131.800
bonds (distance) P-C4' energy: -140.608
flat angles C4'-P-C4' energy: -151.544
flat angles P-C4'-P energy: -89.769
tors. eta vs tors. theta energy: -163.805
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: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2062.921557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.921557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.141275 (E_RNA)
where:
Base-Base interactions energy: -1415.325
where: short stacking energy: -631.116
Base-Backbone interact. energy: 5.342
local terms energy: -656.158823
where:
bonds (distance) C4'-P energy: -133.981
bonds (distance) P-C4' energy: -116.137
flat angles C4'-P-C4' energy: -141.843
flat angles P-C4'-P energy: -100.100
tors. eta vs tors. theta energy: -164.097
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: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1976.163453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.163453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.930398 (E_RNA)
where:
Base-Base interactions energy: -1341.661
where: short stacking energy: -575.806
Base-Backbone interact. energy: 0.990
local terms energy: -640.259665
where:
bonds (distance) C4'-P energy: -121.482
bonds (distance) P-C4' energy: -146.808
flat angles C4'-P-C4' energy: -131.124
flat angles P-C4'-P energy: -87.811
tors. eta vs tors. theta energy: -153.036
Dist. restrs. and SS energy: 4.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1891.345221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.345221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.176873 (E_RNA)
where:
Base-Base interactions energy: -1253.343
where: short stacking energy: -514.761
Base-Backbone interact. energy: -1.103
local terms energy: -640.730333
where:
bonds (distance) C4'-P energy: -128.713
bonds (distance) P-C4' energy: -144.912
flat angles C4'-P-C4' energy: -159.865
flat angles P-C4'-P energy: -80.315
tors. eta vs tors. theta energy: -126.925
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2879.169493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2879.169493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.154564 (E_RNA)
where:
Base-Base interactions energy: -2003.367
where: short stacking energy: -814.163
Base-Backbone interact. energy: -2.657
local terms energy: -874.130947
where:
bonds (distance) C4'-P energy: -155.492
bonds (distance) P-C4' energy: -173.646
flat angles C4'-P-C4' energy: -187.261
flat angles P-C4'-P energy: -118.120
tors. eta vs tors. theta energy: -239.612
Dist. restrs. and SS energy: 0.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2845.504759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.504759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.986200 (E_RNA)
where:
Base-Base interactions energy: -1977.685
where: short stacking energy: -832.875
Base-Backbone interact. energy: -1.648
local terms energy: -868.654043
where:
bonds (distance) C4'-P energy: -150.435
bonds (distance) P-C4' energy: -156.422
flat angles C4'-P-C4' energy: -193.358
flat angles P-C4'-P energy: -130.249
tors. eta vs tors. theta energy: -238.190
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: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2684.303407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.303407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.702269 (E_RNA)
where:
Base-Base interactions energy: -1851.884
where: short stacking energy: -780.785
Base-Backbone interact. energy: 1.439
local terms energy: -835.256572
where:
bonds (distance) C4'-P energy: -145.807
bonds (distance) P-C4' energy: -165.090
flat angles C4'-P-C4' energy: -168.461
flat angles P-C4'-P energy: -116.756
tors. eta vs tors. theta energy: -239.143
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2585.870530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.870530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.063767 (E_RNA)
where:
Base-Base interactions energy: -1758.339
where: short stacking energy: -747.586
Base-Backbone interact. energy: -0.468
local terms energy: -828.257252
where:
bonds (distance) C4'-P energy: -165.125
bonds (distance) P-C4' energy: -142.159
flat angles C4'-P-C4' energy: -178.982
flat angles P-C4'-P energy: -120.442
tors. eta vs tors. theta energy: -221.550
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: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2354.666362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.666362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.251346 (E_RNA)
where:
Base-Base interactions energy: -1605.726
where: short stacking energy: -668.090
Base-Backbone interact. energy: -1.158
local terms energy: -749.367431
where:
bonds (distance) C4'-P energy: -144.363
bonds (distance) P-C4' energy: -134.248
flat angles C4'-P-C4' energy: -169.683
flat angles P-C4'-P energy: -107.407
tors. eta vs tors. theta energy: -193.667
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: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2209.382497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.382497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.242378 (E_RNA)
where:
Base-Base interactions energy: -1478.103
where: short stacking energy: -654.843
Base-Backbone interact. energy: -3.473
local terms energy: -729.667058
where:
bonds (distance) C4'-P energy: -149.219
bonds (distance) P-C4' energy: -138.619
flat angles C4'-P-C4' energy: -157.659
flat angles P-C4'-P energy: -104.627
tors. eta vs tors. theta energy: -179.543
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2053.418248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.418248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.983414 (E_RNA)
where:
Base-Base interactions energy: -1390.795
where: short stacking energy: -607.352
Base-Backbone interact. energy: 4.819
local terms energy: -671.007107
where:
bonds (distance) C4'-P energy: -150.694
bonds (distance) P-C4' energy: -128.133
flat angles C4'-P-C4' energy: -144.623
flat angles P-C4'-P energy: -85.621
tors. eta vs tors. theta energy: -161.938
Dist. restrs. and SS energy: 3.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2029.995268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.995268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.728572 (E_RNA)
where:
Base-Base interactions energy: -1390.576
where: short stacking energy: -602.043
Base-Backbone interact. energy: 0.671
local terms energy: -642.823332
where:
bonds (distance) C4'-P energy: -134.853
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -160.158
flat angles P-C4'-P energy: -75.031
tors. eta vs tors. theta energy: -148.791
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: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1988.700163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.700163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.325421 (E_RNA)
where:
Base-Base interactions energy: -1354.086
where: short stacking energy: -563.400
Base-Backbone interact. energy: -1.889
local terms energy: -636.350363
where:
bonds (distance) C4'-P energy: -124.561
bonds (distance) P-C4' energy: -132.831
flat angles C4'-P-C4' energy: -132.551
flat angles P-C4'-P energy: -98.884
tors. eta vs tors. theta energy: -147.524
Dist. restrs. and SS energy: 3.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -1902.448175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.448175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.683213 (E_RNA)
where:
Base-Base interactions energy: -1328.930
where: short stacking energy: -560.942
Base-Backbone interact. energy: -1.063
local terms energy: -574.690628
where:
bonds (distance) C4'-P energy: -134.680
bonds (distance) P-C4' energy: -109.346
flat angles C4'-P-C4' energy: -120.846
flat angles P-C4'-P energy: -74.632
tors. eta vs tors. theta energy: -135.187
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: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2889.325964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.325964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.927728 (E_RNA)
where:
Base-Base interactions energy: -2010.078
where: short stacking energy: -843.880
Base-Backbone interact. energy: 2.895
local terms energy: -883.744509
where:
bonds (distance) C4'-P energy: -161.488
bonds (distance) P-C4' energy: -151.839
flat angles C4'-P-C4' energy: -196.389
flat angles P-C4'-P energy: -130.556
tors. eta vs tors. theta energy: -243.473
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2843.167432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.167432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.574603 (E_RNA)
where:
Base-Base interactions energy: -1991.169
where: short stacking energy: -820.099
Base-Backbone interact. energy: -1.854
local terms energy: -852.551979
where:
bonds (distance) C4'-P energy: -145.302
bonds (distance) P-C4' energy: -140.883
flat angles C4'-P-C4' energy: -188.613
flat angles P-C4'-P energy: -132.245
tors. eta vs tors. theta energy: -245.508
Dist. restrs. and SS energy: 2.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2714.745094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.745094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.107396 (E_RNA)
where:
Base-Base interactions energy: -1869.482
where: short stacking energy: -796.737
Base-Backbone interact. energy: -0.189
local terms energy: -847.437053
where:
bonds (distance) C4'-P energy: -146.600
bonds (distance) P-C4' energy: -160.151
flat angles C4'-P-C4' energy: -182.050
flat angles P-C4'-P energy: -115.090
tors. eta vs tors. theta energy: -243.546
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2587.532714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.532714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.707432 (E_RNA)
where:
Base-Base interactions energy: -1769.118
where: short stacking energy: -752.102
Base-Backbone interact. energy: -0.619
local terms energy: -819.970837
where:
bonds (distance) C4'-P energy: -147.004
bonds (distance) P-C4' energy: -152.310
flat angles C4'-P-C4' energy: -167.670
flat angles P-C4'-P energy: -127.920
tors. eta vs tors. theta energy: -225.067
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: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2353.725465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.725465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.063459 (E_RNA)
where:
Base-Base interactions energy: -1633.404
where: short stacking energy: -686.696
Base-Backbone interact. energy: -1.359
local terms energy: -720.300511
where:
bonds (distance) C4'-P energy: -146.643
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -155.445
flat angles P-C4'-P energy: -91.197
tors. eta vs tors. theta energy: -188.064
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: 378
Temperature: 1.150000
Total energy: -2156.630093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.630093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.420238 (E_RNA)
where:
Base-Base interactions energy: -1434.900
where: short stacking energy: -606.920
Base-Backbone interact. energy: -1.275
local terms energy: -722.245188
where:
bonds (distance) C4'-P energy: -147.265
bonds (distance) P-C4' energy: -151.817
flat angles C4'-P-C4' energy: -158.064
flat angles P-C4'-P energy: -112.612
tors. eta vs tors. theta energy: -152.488
Dist. restrs. and SS energy: 1.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2093.403599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.403599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.558442 (E_RNA)
where:
Base-Base interactions energy: -1399.661
where: short stacking energy: -582.085
Base-Backbone interact. energy: 0.688
local terms energy: -696.585799
where:
bonds (distance) C4'-P energy: -135.869
bonds (distance) P-C4' energy: -132.218
flat angles C4'-P-C4' energy: -164.666
flat angles P-C4'-P energy: -91.815
tors. eta vs tors. theta energy: -172.018
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: 378
Temperature: 1.250000
Total energy: -2064.897175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.897175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.497256 (E_RNA)
where:
Base-Base interactions energy: -1417.440
where: short stacking energy: -614.095
Base-Backbone interact. energy: -0.463
local terms energy: -649.594589
where:
bonds (distance) C4'-P energy: -118.543
bonds (distance) P-C4' energy: -128.844
flat angles C4'-P-C4' energy: -139.486
flat angles P-C4'-P energy: -90.776
tors. eta vs tors. theta energy: -171.945
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1915.681037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.681037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.647742 (E_RNA)
where:
Base-Base interactions energy: -1276.637
where: short stacking energy: -526.122
Base-Backbone interact. energy: 5.764
local terms energy: -651.774237
where:
bonds (distance) C4'-P energy: -113.380
bonds (distance) P-C4' energy: -147.397
flat angles C4'-P-C4' energy: -152.080
flat angles P-C4'-P energy: -102.351
tors. eta vs tors. theta energy: -136.567
Dist. restrs. and SS energy: 6.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -1877.317467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.317467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.140572 (E_RNA)
where:
Base-Base interactions energy: -1258.248
where: short stacking energy: -508.889
Base-Backbone interact. energy: -1.227
local terms energy: -623.664987
where:
bonds (distance) C4'-P energy: -118.265
bonds (distance) P-C4' energy: -146.744
flat angles C4'-P-C4' energy: -142.778
flat angles P-C4'-P energy: -93.810
tors. eta vs tors. theta energy: -122.068
Dist. restrs. and SS energy: 5.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2916.683104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.683104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.930938 (E_RNA)
where:
Base-Base interactions energy: -2019.245
where: short stacking energy: -837.762
Base-Backbone interact. energy: -3.634
local terms energy: -895.052299
where:
bonds (distance) C4'-P energy: -169.838
bonds (distance) P-C4' energy: -162.988
flat angles C4'-P-C4' energy: -189.776
flat angles P-C4'-P energy: -120.658
tors. eta vs tors. theta energy: -251.793
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: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2855.131750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.131750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.476166 (E_RNA)
where:
Base-Base interactions energy: -2012.088
where: short stacking energy: -845.247
Base-Backbone interact. energy: 1.403
local terms energy: -846.791948
where:
bonds (distance) C4'-P energy: -152.002
bonds (distance) P-C4' energy: -161.479
flat angles C4'-P-C4' energy: -180.238
flat angles P-C4'-P energy: -111.766
tors. eta vs tors. theta energy: -241.307
Dist. restrs. and SS energy: 2.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2716.666370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.666370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.642175 (E_RNA)
where:
Base-Base interactions energy: -1843.966
where: short stacking energy: -778.800
Base-Backbone interact. energy: -2.394
local terms energy: -872.281684
where:
bonds (distance) C4'-P energy: -153.189
bonds (distance) P-C4' energy: -169.364
flat angles C4'-P-C4' energy: -193.318
flat angles P-C4'-P energy: -124.077
tors. eta vs tors. theta energy: -232.333
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2619.365054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.365054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.483305 (E_RNA)
where:
Base-Base interactions energy: -1785.534
where: short stacking energy: -757.428
Base-Backbone interact. energy: -1.488
local terms energy: -833.461384
where:
bonds (distance) C4'-P energy: -156.968
bonds (distance) P-C4' energy: -152.105
flat angles C4'-P-C4' energy: -178.215
flat angles P-C4'-P energy: -124.551
tors. eta vs tors. theta energy: -221.623
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: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2335.293643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.293643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.984485 (E_RNA)
where:
Base-Base interactions energy: -1610.903
where: short stacking energy: -682.744
Base-Backbone interact. energy: -2.843
local terms energy: -726.239081
where:
bonds (distance) C4'-P energy: -150.001
bonds (distance) P-C4' energy: -125.776
flat angles C4'-P-C4' energy: -148.202
flat angles P-C4'-P energy: -103.406
tors. eta vs tors. theta energy: -198.854
Dist. restrs. and SS energy: 4.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2174.783710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.783710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.466849 (E_RNA)
where:
Base-Base interactions energy: -1470.223
where: short stacking energy: -635.093
Base-Backbone interact. energy: 0.800
local terms energy: -707.044208
where:
bonds (distance) C4'-P energy: -140.540
bonds (distance) P-C4' energy: -156.235
flat angles C4'-P-C4' energy: -159.815
flat angles P-C4'-P energy: -98.664
tors. eta vs tors. theta energy: -151.790
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: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2073.791031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.791031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.350264 (E_RNA)
where:
Base-Base interactions energy: -1393.514
where: short stacking energy: -624.379
Base-Backbone interact. energy: 6.171
local terms energy: -689.007985
where:
bonds (distance) C4'-P energy: -128.419
bonds (distance) P-C4' energy: -154.365
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -79.654
tors. eta vs tors. theta energy: -177.565
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: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2047.565385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.565385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.852981 (E_RNA)
where:
Base-Base interactions energy: -1422.704
where: short stacking energy: -593.061
Base-Backbone interact. energy: 0.140
local terms energy: -627.288840
where:
bonds (distance) C4'-P energy: -135.548
bonds (distance) P-C4' energy: -117.957
flat angles C4'-P-C4' energy: -125.767
flat angles P-C4'-P energy: -97.480
tors. eta vs tors. theta energy: -150.536
Dist. restrs. and SS energy: 2.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1889.725128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.725128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.486988 (E_RNA)
where:
Base-Base interactions energy: -1270.745
where: short stacking energy: -540.271
Base-Backbone interact. energy: 4.019
local terms energy: -625.761229
where:
bonds (distance) C4'-P energy: -126.581
bonds (distance) P-C4' energy: -125.516
flat angles C4'-P-C4' energy: -153.375
flat angles P-C4'-P energy: -90.920
tors. eta vs tors. theta energy: -129.370
Dist. restrs. and SS energy: 2.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -1882.714763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.714763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.714440 (E_RNA)
where:
Base-Base interactions energy: -1296.899
where: short stacking energy: -531.422
Base-Backbone interact. energy: 0.170
local terms energy: -589.985562
where:
bonds (distance) C4'-P energy: -97.515
bonds (distance) P-C4' energy: -138.303
flat angles C4'-P-C4' energy: -123.636
flat angles P-C4'-P energy: -102.802
tors. eta vs tors. theta energy: -127.730
Dist. restrs. and SS energy: 4.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2904.739635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.739635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.265578 (E_RNA)
where:
Base-Base interactions energy: -2002.995
where: short stacking energy: -792.855
Base-Backbone interact. energy: 1.603
local terms energy: -904.873764
where:
bonds (distance) C4'-P energy: -167.024
bonds (distance) P-C4' energy: -170.775
flat angles C4'-P-C4' energy: -190.293
flat angles P-C4'-P energy: -134.047
tors. eta vs tors. theta energy: -242.734
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: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2826.755571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.755571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.690764 (E_RNA)
where:
Base-Base interactions energy: -1968.742
where: short stacking energy: -792.480
Base-Backbone interact. energy: -1.250
local terms energy: -859.698021
where:
bonds (distance) C4'-P energy: -151.589
bonds (distance) P-C4' energy: -156.534
flat angles C4'-P-C4' energy: -183.694
flat angles P-C4'-P energy: -123.287
tors. eta vs tors. theta energy: -244.594
Dist. restrs. and SS energy: 2.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2709.965609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.965609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.950647 (E_RNA)
where:
Base-Base interactions energy: -1874.375
where: short stacking energy: -771.119
Base-Backbone interact. energy: -0.535
local terms energy: -837.040617
where:
bonds (distance) C4'-P energy: -157.697
bonds (distance) P-C4' energy: -151.375
flat angles C4'-P-C4' energy: -183.553
flat angles P-C4'-P energy: -112.050
tors. eta vs tors. theta energy: -232.366
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: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2592.368845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.368845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.127249 (E_RNA)
where:
Base-Base interactions energy: -1788.998
where: short stacking energy: -745.405
Base-Backbone interact. energy: -0.108
local terms energy: -805.021520
where:
bonds (distance) C4'-P energy: -144.399
bonds (distance) P-C4' energy: -156.799
flat angles C4'-P-C4' energy: -163.715
flat angles P-C4'-P energy: -119.948
tors. eta vs tors. theta energy: -220.160
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2380.237687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.237687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.842223 (E_RNA)
where:
Base-Base interactions energy: -1639.411
where: short stacking energy: -682.338
Base-Backbone interact. energy: -5.715
local terms energy: -737.716010
where:
bonds (distance) C4'-P energy: -119.795
bonds (distance) P-C4' energy: -145.848
flat angles C4'-P-C4' energy: -171.207
flat angles P-C4'-P energy: -107.818
tors. eta vs tors. theta energy: -193.049
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: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2155.199087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.199087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.086169 (E_RNA)
where:
Base-Base interactions energy: -1496.309
where: short stacking energy: -606.196
Base-Backbone interact. energy: 7.488
local terms energy: -669.265486
where:
bonds (distance) C4'-P energy: -131.158
bonds (distance) P-C4' energy: -126.735
flat angles C4'-P-C4' energy: -147.230
flat angles P-C4'-P energy: -92.335
tors. eta vs tors. theta energy: -171.808
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: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2103.374109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.374109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.385826 (E_RNA)
where:
Base-Base interactions energy: -1457.204
where: short stacking energy: -596.991
Base-Backbone interact. energy: -2.147
local terms energy: -646.034446
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -140.567
flat angles C4'-P-C4' energy: -137.213
flat angles P-C4'-P energy: -100.129
tors. eta vs tors. theta energy: -155.397
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: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1997.718021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.718021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.516662 (E_RNA)
where:
Base-Base interactions energy: -1365.180
where: short stacking energy: -574.963
Base-Backbone interact. energy: -0.583
local terms energy: -637.753379
where:
bonds (distance) C4'-P energy: -116.435
bonds (distance) P-C4' energy: -138.782
flat angles C4'-P-C4' energy: -146.459
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -145.981
Dist. restrs. and SS energy: 5.799 (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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1897.987278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.987278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.416038 (E_RNA)
where:
Base-Base interactions energy: -1293.870
where: short stacking energy: -529.109
Base-Backbone interact. energy: 3.505
local terms energy: -612.051152
where:
bonds (distance) C4'-P energy: -137.373
bonds (distance) P-C4' energy: -130.317
flat angles C4'-P-C4' energy: -121.071
flat angles P-C4'-P energy: -98.682
tors. eta vs tors. theta energy: -124.608
Dist. restrs. and SS energy: 4.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -1906.733622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.733622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.943108 (E_RNA)
where:
Base-Base interactions energy: -1304.164
where: short stacking energy: -542.784
Base-Backbone interact. energy: 0.854
local terms energy: -607.632876
where:
bonds (distance) C4'-P energy: -126.756
bonds (distance) P-C4' energy: -115.473
flat angles C4'-P-C4' energy: -156.581
flat angles P-C4'-P energy: -74.267
tors. eta vs tors. theta energy: -134.556
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2877.768379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.768379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2879.101515 (E_RNA)
where:
Base-Base interactions energy: -2022.142
where: short stacking energy: -840.331
Base-Backbone interact. energy: 0.141
local terms energy: -857.100506
where:
bonds (distance) C4'-P energy: -143.850
bonds (distance) P-C4' energy: -163.929
flat angles C4'-P-C4' energy: -192.819
flat angles P-C4'-P energy: -122.181
tors. eta vs tors. theta energy: -234.322
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: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2875.492844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.492844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.641794 (E_RNA)
where:
Base-Base interactions energy: -2020.996
where: short stacking energy: -800.043
Base-Backbone interact. energy: -3.754
local terms energy: -852.892099
where:
bonds (distance) C4'-P energy: -155.156
bonds (distance) P-C4' energy: -172.529
flat angles C4'-P-C4' energy: -181.694
flat angles P-C4'-P energy: -115.408
tors. eta vs tors. theta energy: -228.106
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: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2683.203825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.203825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.311828 (E_RNA)
where:
Base-Base interactions energy: -1846.018
where: short stacking energy: -782.656
Base-Backbone interact. energy: 1.424
local terms energy: -840.717896
where:
bonds (distance) C4'-P energy: -143.690
bonds (distance) P-C4' energy: -166.551
flat angles C4'-P-C4' energy: -178.660
flat angles P-C4'-P energy: -123.112
tors. eta vs tors. theta energy: -228.705
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2499.310923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.310923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.358353 (E_RNA)
where:
Base-Base interactions energy: -1719.516
where: short stacking energy: -713.778
Base-Backbone interact. energy: 3.076
local terms energy: -784.918656
where:
bonds (distance) C4'-P energy: -141.209
bonds (distance) P-C4' energy: -165.092
flat angles C4'-P-C4' energy: -184.215
flat angles P-C4'-P energy: -107.564
tors. eta vs tors. theta energy: -186.840
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2388.806714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.806714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.643331 (E_RNA)
where:
Base-Base interactions energy: -1643.860
where: short stacking energy: -701.317
Base-Backbone interact. energy: -3.722
local terms energy: -744.061236
where:
bonds (distance) C4'-P energy: -128.458
bonds (distance) P-C4' energy: -136.129
flat angles C4'-P-C4' energy: -174.169
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -193.702
Dist. restrs. and SS energy: 2.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2144.848348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.848348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.876594 (E_RNA)
where:
Base-Base interactions energy: -1440.804
where: short stacking energy: -620.211
Base-Backbone interact. energy: -0.677
local terms energy: -705.394810
where:
bonds (distance) C4'-P energy: -132.876
bonds (distance) P-C4' energy: -150.062
flat angles C4'-P-C4' energy: -156.637
flat angles P-C4'-P energy: -93.216
tors. eta vs tors. theta energy: -172.603
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: 381
Temperature: 1.200000
Total energy: -2118.915588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.915588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.499104 (E_RNA)
where:
Base-Base interactions energy: -1438.141
where: short stacking energy: -603.281
Base-Backbone interact. energy: -0.214
local terms energy: -682.144847
where:
bonds (distance) C4'-P energy: -134.836
bonds (distance) P-C4' energy: -137.946
flat angles C4'-P-C4' energy: -153.774
flat angles P-C4'-P energy: -94.055
tors. eta vs tors. theta energy: -161.534
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: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1998.161960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.161960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.382805 (E_RNA)
where:
Base-Base interactions energy: -1369.121
where: short stacking energy: -564.366
Base-Backbone interact. energy: 0.066
local terms energy: -631.327899
where:
bonds (distance) C4'-P energy: -113.358
bonds (distance) P-C4' energy: -133.591
flat angles C4'-P-C4' energy: -148.777
flat angles P-C4'-P energy: -89.974
tors. eta vs tors. theta energy: -145.628
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1995.871041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.871041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.049483 (E_RNA)
where:
Base-Base interactions energy: -1364.263
where: short stacking energy: -582.750
Base-Backbone interact. energy: -0.094
local terms energy: -634.692687
where:
bonds (distance) C4'-P energy: -138.595
bonds (distance) P-C4' energy: -108.229
flat angles C4'-P-C4' energy: -136.385
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -163.919
Dist. restrs. and SS energy: 3.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1854.949382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.949382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.227716 (E_RNA)
where:
Base-Base interactions energy: -1255.400
where: short stacking energy: -511.989
Base-Backbone interact. energy: -1.011
local terms energy: -602.817216
where:
bonds (distance) C4'-P energy: -125.448
bonds (distance) P-C4' energy: -127.028
flat angles C4'-P-C4' energy: -136.758
flat angles P-C4'-P energy: -83.737
tors. eta vs tors. theta energy: -129.847
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2900.034022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.034022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.728812 (E_RNA)
where:
Base-Base interactions energy: -2008.017
where: short stacking energy: -807.411
Base-Backbone interact. energy: -5.565
local terms energy: -888.146089
where:
bonds (distance) C4'-P energy: -156.609
bonds (distance) P-C4' energy: -163.571
flat angles C4'-P-C4' energy: -195.711
flat angles P-C4'-P energy: -131.168
tors. eta vs tors. theta energy: -241.088
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2884.431247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2884.431247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.924125 (E_RNA)
where:
Base-Base interactions energy: -2009.291
where: short stacking energy: -807.414
Base-Backbone interact. energy: -3.729
local terms energy: -871.904015
where:
bonds (distance) C4'-P energy: -161.718
bonds (distance) P-C4' energy: -169.283
flat angles C4'-P-C4' energy: -183.797
flat angles P-C4'-P energy: -120.067
tors. eta vs tors. theta energy: -237.040
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2691.911421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.911421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.074062 (E_RNA)
where:
Base-Base interactions energy: -1858.633
where: short stacking energy: -763.496
Base-Backbone interact. energy: 0.263
local terms energy: -835.703796
where:
bonds (distance) C4'-P energy: -148.881
bonds (distance) P-C4' energy: -166.589
flat angles C4'-P-C4' energy: -177.284
flat angles P-C4'-P energy: -119.097
tors. eta vs tors. theta energy: -223.852
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: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2595.274698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.274698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.320587 (E_RNA)
where:
Base-Base interactions energy: -1790.770
where: short stacking energy: -747.613
Base-Backbone interact. energy: 2.502
local terms energy: -808.052238
where:
bonds (distance) C4'-P energy: -152.453
bonds (distance) P-C4' energy: -147.229
flat angles C4'-P-C4' energy: -185.024
flat angles P-C4'-P energy: -97.718
tors. eta vs tors. theta energy: -225.628
Dist. restrs. and SS energy: 1.046 (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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2343.748026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.748026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.294110 (E_RNA)
where:
Base-Base interactions energy: -1604.170
where: short stacking energy: -688.101
Base-Backbone interact. energy: 0.497
local terms energy: -742.621375
where:
bonds (distance) C4'-P energy: -120.257
bonds (distance) P-C4' energy: -153.303
flat angles C4'-P-C4' energy: -165.683
flat angles P-C4'-P energy: -109.593
tors. eta vs tors. theta energy: -193.785
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: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2159.742894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.742894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.085794 (E_RNA)
where:
Base-Base interactions energy: -1459.945
where: short stacking energy: -621.846
Base-Backbone interact. energy: 0.817
local terms energy: -701.957604
where:
bonds (distance) C4'-P energy: -131.031
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -149.357
flat angles P-C4'-P energy: -104.758
tors. eta vs tors. theta energy: -181.477
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: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2126.260201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.260201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.901115 (E_RNA)
where:
Base-Base interactions energy: -1432.428
where: short stacking energy: -607.646
Base-Backbone interact. energy: 1.427
local terms energy: -699.900888
where:
bonds (distance) C4'-P energy: -144.819
bonds (distance) P-C4' energy: -142.050
flat angles C4'-P-C4' energy: -151.998
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -172.210
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2019.565060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.565060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.096135 (E_RNA)
where:
Base-Base interactions energy: -1356.794
where: short stacking energy: -599.193
Base-Backbone interact. energy: 0.448
local terms energy: -666.749818
where:
bonds (distance) C4'-P energy: -123.922
bonds (distance) P-C4' energy: -136.412
flat angles C4'-P-C4' energy: -153.812
flat angles P-C4'-P energy: -98.486
tors. eta vs tors. theta energy: -154.118
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1917.096186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.096186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.550653 (E_RNA)
where:
Base-Base interactions energy: -1305.540
where: short stacking energy: -530.035
Base-Backbone interact. energy: 2.942
local terms energy: -616.952989
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -139.330
flat angles C4'-P-C4' energy: -143.122
flat angles P-C4'-P energy: -88.372
tors. eta vs tors. theta energy: -122.438
Dist. restrs. and SS energy: 2.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1811.391448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.391448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.751551 (E_RNA)
where:
Base-Base interactions energy: -1270.794
where: short stacking energy: -547.507
Base-Backbone interact. energy: 6.778
local terms energy: -553.735636
where:
bonds (distance) C4'-P energy: -103.651
bonds (distance) P-C4' energy: -116.414
flat angles C4'-P-C4' energy: -129.007
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -126.147
Dist. restrs. and SS energy: 6.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2925.584133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.584133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.259674 (E_RNA)
where:
Base-Base interactions energy: -2012.489
where: short stacking energy: -841.191
Base-Backbone interact. energy: -3.799
local terms energy: -910.971790
where:
bonds (distance) C4'-P energy: -171.389
bonds (distance) P-C4' energy: -166.881
flat angles C4'-P-C4' energy: -194.981
flat angles P-C4'-P energy: -132.840
tors. eta vs tors. theta energy: -244.882
Dist. restrs. and SS energy: 1.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2876.713109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.713109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.196780 (E_RNA)
where:
Base-Base interactions energy: -2007.141
where: short stacking energy: -784.951
Base-Backbone interact. energy: -2.771
local terms energy: -868.285265
where:
bonds (distance) C4'-P energy: -174.571
bonds (distance) P-C4' energy: -156.891
flat angles C4'-P-C4' energy: -181.101
flat angles P-C4'-P energy: -126.002
tors. eta vs tors. theta energy: -229.721
Dist. restrs. and SS energy: 1.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2702.441177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.441177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.913255 (E_RNA)
where:
Base-Base interactions energy: -1848.102
where: short stacking energy: -797.851
Base-Backbone interact. energy: -0.395
local terms energy: -855.416114
where:
bonds (distance) C4'-P energy: -156.280
bonds (distance) P-C4' energy: -149.958
flat angles C4'-P-C4' energy: -176.143
flat angles P-C4'-P energy: -122.600
tors. eta vs tors. theta energy: -250.434
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2604.726687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.726687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.587735 (E_RNA)
where:
Base-Base interactions energy: -1777.928
where: short stacking energy: -745.539
Base-Backbone interact. energy: -0.084
local terms energy: -828.575423
where:
bonds (distance) C4'-P energy: -154.755
bonds (distance) P-C4' energy: -155.239
flat angles C4'-P-C4' energy: -169.731
flat angles P-C4'-P energy: -116.755
tors. eta vs tors. theta energy: -232.095
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2355.058285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.058285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.455370 (E_RNA)
where:
Base-Base interactions energy: -1636.360
where: short stacking energy: -703.254
Base-Backbone interact. energy: -1.370
local terms energy: -720.724544
where:
bonds (distance) C4'-P energy: -149.780
bonds (distance) P-C4' energy: -113.248
flat angles C4'-P-C4' energy: -167.357
flat angles P-C4'-P energy: -88.253
tors. eta vs tors. theta energy: -202.086
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: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2162.085142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.085142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.926379 (E_RNA)
where:
Base-Base interactions energy: -1417.945
where: short stacking energy: -632.167
Base-Backbone interact. energy: 4.316
local terms energy: -750.297984
where:
bonds (distance) C4'-P energy: -161.955
bonds (distance) P-C4' energy: -121.407
flat angles C4'-P-C4' energy: -165.954
flat angles P-C4'-P energy: -116.132
tors. eta vs tors. theta energy: -184.851
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2103.226308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.226308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.406799 (E_RNA)
where:
Base-Base interactions energy: -1404.055
where: short stacking energy: -593.830
Base-Backbone interact. energy: 0.725
local terms energy: -702.076674
where:
bonds (distance) C4'-P energy: -146.689
bonds (distance) P-C4' energy: -140.851
flat angles C4'-P-C4' energy: -150.385
flat angles P-C4'-P energy: -99.981
tors. eta vs tors. theta energy: -164.170
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2043.496414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.496414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.545512 (E_RNA)
where:
Base-Base interactions energy: -1361.934
where: short stacking energy: -578.655
Base-Backbone interact. energy: 1.617
local terms energy: -687.228067
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -141.891
flat angles C4'-P-C4' energy: -144.045
flat angles P-C4'-P energy: -99.954
tors. eta vs tors. theta energy: -160.966
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: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1912.699970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.699970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.862698 (E_RNA)
where:
Base-Base interactions energy: -1278.490
where: short stacking energy: -521.894
Base-Backbone interact. energy: 8.065
local terms energy: -644.437647
where:
bonds (distance) C4'-P energy: -119.331
bonds (distance) P-C4' energy: -131.396
flat angles C4'-P-C4' energy: -156.784
flat angles P-C4'-P energy: -99.204
tors. eta vs tors. theta energy: -137.723
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: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1840.882838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.882838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.774068 (E_RNA)
where:
Base-Base interactions energy: -1287.631
where: short stacking energy: -520.887
Base-Backbone interact. energy: 1.157
local terms energy: -561.299438
where:
bonds (distance) C4'-P energy: -115.804
bonds (distance) P-C4' energy: -122.097
flat angles C4'-P-C4' energy: -127.839
flat angles P-C4'-P energy: -76.994
tors. eta vs tors. theta energy: -118.565
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2933.308802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.308802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.429297 (E_RNA)
where:
Base-Base interactions energy: -2055.970
where: short stacking energy: -819.746
Base-Backbone interact. energy: -0.714
local terms energy: -877.745337
where:
bonds (distance) C4'-P energy: -169.866
bonds (distance) P-C4' energy: -165.769
flat angles C4'-P-C4' energy: -185.327
flat angles P-C4'-P energy: -127.268
tors. eta vs tors. theta energy: -229.515
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: 384
Temperature: 0.950000
Total energy: -2815.589307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.589307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.457240 (E_RNA)
where:
Base-Base interactions energy: -1970.243
where: short stacking energy: -836.637
Base-Backbone interact. energy: -1.356
local terms energy: -845.857940
where:
bonds (distance) C4'-P energy: -148.805
bonds (distance) P-C4' energy: -146.861
flat angles C4'-P-C4' energy: -188.634
flat angles P-C4'-P energy: -118.273
tors. eta vs tors. theta energy: -243.285
Dist. restrs. and SS energy: 1.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2712.838733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.838733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.822771 (E_RNA)
where:
Base-Base interactions energy: -1884.745
where: short stacking energy: -786.785
Base-Backbone interact. energy: -0.259
local terms energy: -829.818881
where:
bonds (distance) C4'-P energy: -151.614
bonds (distance) P-C4' energy: -158.750
flat angles C4'-P-C4' energy: -165.904
flat angles P-C4'-P energy: -116.595
tors. eta vs tors. theta energy: -236.956
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2562.203033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.203033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.835037 (E_RNA)
where:
Base-Base interactions energy: -1761.245
where: short stacking energy: -767.272
Base-Backbone interact. energy: 5.460
local terms energy: -809.050407
where:
bonds (distance) C4'-P energy: -144.619
bonds (distance) P-C4' energy: -166.314
flat angles C4'-P-C4' energy: -172.486
flat angles P-C4'-P energy: -99.536
tors. eta vs tors. theta energy: -226.095
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2330.119456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.119456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.663089 (E_RNA)
where:
Base-Base interactions energy: -1579.426
where: short stacking energy: -670.646
Base-Backbone interact. energy: -3.016
local terms energy: -749.220249
where:
bonds (distance) C4'-P energy: -150.876
bonds (distance) P-C4' energy: -159.685
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -88.270
tors. eta vs tors. theta energy: -192.065
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: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2193.972849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.972849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.135397 (E_RNA)
where:
Base-Base interactions energy: -1459.111
where: short stacking energy: -646.795
Base-Backbone interact. energy: 0.117
local terms energy: -737.141275
where:
bonds (distance) C4'-P energy: -131.021
bonds (distance) P-C4' energy: -140.293
flat angles C4'-P-C4' energy: -183.231
flat angles P-C4'-P energy: -104.300
tors. eta vs tors. theta energy: -178.297
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: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2095.235235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.235235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.008749 (E_RNA)
where:
Base-Base interactions energy: -1400.213
where: short stacking energy: -616.632
Base-Backbone interact. energy: -1.002
local terms energy: -696.793619
where:
bonds (distance) C4'-P energy: -131.600
bonds (distance) P-C4' energy: -131.973
flat angles C4'-P-C4' energy: -150.169
flat angles P-C4'-P energy: -96.050
tors. eta vs tors. theta energy: -187.002
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2036.072489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.072489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.292075 (E_RNA)
where:
Base-Base interactions energy: -1370.937
where: short stacking energy: -590.331
Base-Backbone interact. energy: 0.216
local terms energy: -668.570361
where:
bonds (distance) C4'-P energy: -122.541
bonds (distance) P-C4' energy: -132.598
flat angles C4'-P-C4' energy: -157.463
flat angles P-C4'-P energy: -98.689
tors. eta vs tors. theta energy: -157.279
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: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1966.371358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.371358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.430218 (E_RNA)
where:
Base-Base interactions energy: -1335.677
where: short stacking energy: -565.261
Base-Backbone interact. energy: 3.765
local terms energy: -636.517751
where:
bonds (distance) C4'-P energy: -124.829
bonds (distance) P-C4' energy: -113.182
flat angles C4'-P-C4' energy: -154.983
flat angles P-C4'-P energy: -86.925
tors. eta vs tors. theta energy: -156.599
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: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1806.744385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.744385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.037268 (E_RNA)
where:
Base-Base interactions energy: -1259.370
where: short stacking energy: -524.070
Base-Backbone interact. energy: 1.456
local terms energy: -554.122733
where:
bonds (distance) C4'-P energy: -130.956
bonds (distance) P-C4' energy: -125.048
flat angles C4'-P-C4' energy: -115.854
flat angles P-C4'-P energy: -68.088
tors. eta vs tors. theta energy: -114.176
Dist. restrs. and SS energy: 5.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2921.258318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.258318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.586179 (E_RNA)
where:
Base-Base interactions energy: -2044.124
where: short stacking energy: -821.234
Base-Backbone interact. energy: -2.181
local terms energy: -876.281107
where:
bonds (distance) C4'-P energy: -166.399
bonds (distance) P-C4' energy: -161.783
flat angles C4'-P-C4' energy: -185.288
flat angles P-C4'-P energy: -113.633
tors. eta vs tors. theta energy: -249.179
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2848.767648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.363215 (E_RNA)
where:
Base-Base interactions energy: -1948.157
where: short stacking energy: -781.754
Base-Backbone interact. energy: -5.061
local terms energy: -897.145491
where:
bonds (distance) C4'-P energy: -151.101
bonds (distance) P-C4' energy: -173.951
flat angles C4'-P-C4' energy: -193.851
flat angles P-C4'-P energy: -127.123
tors. eta vs tors. theta energy: -251.118
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2683.867284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.867284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.252132 (E_RNA)
where:
Base-Base interactions energy: -1841.439
where: short stacking energy: -781.136
Base-Backbone interact. energy: -0.170
local terms energy: -843.643388
where:
bonds (distance) C4'-P energy: -147.917
bonds (distance) P-C4' energy: -159.740
flat angles C4'-P-C4' energy: -174.311
flat angles P-C4'-P energy: -121.245
tors. eta vs tors. theta energy: -240.430
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: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2550.900380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.900380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.836875 (E_RNA)
where:
Base-Base interactions energy: -1735.458
where: short stacking energy: -733.241
Base-Backbone interact. energy: -4.065
local terms energy: -812.314266
where:
bonds (distance) C4'-P energy: -147.748
bonds (distance) P-C4' energy: -152.932
flat angles C4'-P-C4' energy: -161.023
flat angles P-C4'-P energy: -122.207
tors. eta vs tors. theta energy: -228.404
Dist. restrs. and SS energy: 0.936 (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: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2341.821209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.821209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.635464 (E_RNA)
where:
Base-Base interactions energy: -1584.884
where: short stacking energy: -665.919
Base-Backbone interact. energy: 5.109
local terms energy: -763.860407
where:
bonds (distance) C4'-P energy: -153.301
bonds (distance) P-C4' energy: -150.988
flat angles C4'-P-C4' energy: -160.944
flat angles P-C4'-P energy: -101.873
tors. eta vs tors. theta energy: -196.754
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: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2171.220819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.220819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.084953 (E_RNA)
where:
Base-Base interactions energy: -1440.985
where: short stacking energy: -642.314
Base-Backbone interact. energy: -3.163
local terms energy: -730.937728
where:
bonds (distance) C4'-P energy: -143.342
bonds (distance) P-C4' energy: -153.546
flat angles C4'-P-C4' energy: -160.164
flat angles P-C4'-P energy: -102.498
tors. eta vs tors. theta energy: -171.387
Dist. restrs. and SS energy: 3.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2125.694163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.694163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.306716 (E_RNA)
where:
Base-Base interactions energy: -1441.112
where: short stacking energy: -637.353
Base-Backbone interact. energy: -0.216
local terms energy: -685.979517
where:
bonds (distance) C4'-P energy: -145.329
bonds (distance) P-C4' energy: -143.068
flat angles C4'-P-C4' energy: -144.988
flat angles P-C4'-P energy: -86.924
tors. eta vs tors. theta energy: -165.670
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: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2053.999281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.999281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.698612 (E_RNA)
where:
Base-Base interactions energy: -1381.186
where: short stacking energy: -589.050
Base-Backbone interact. energy: -0.503
local terms energy: -674.009636
where:
bonds (distance) C4'-P energy: -130.736
bonds (distance) P-C4' energy: -117.862
flat angles C4'-P-C4' energy: -162.038
flat angles P-C4'-P energy: -96.259
tors. eta vs tors. theta energy: -167.113
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: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1931.885459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.885459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.328038 (E_RNA)
where:
Base-Base interactions energy: -1295.332
where: short stacking energy: -522.144
Base-Backbone interact. energy: -2.174
local terms energy: -637.822227
where:
bonds (distance) C4'-P energy: -142.523
bonds (distance) P-C4' energy: -132.056
flat angles C4'-P-C4' energy: -139.877
flat angles P-C4'-P energy: -95.654
tors. eta vs tors. theta energy: -127.711
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: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1839.717767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.717767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.608518 (E_RNA)
where:
Base-Base interactions energy: -1239.708
where: short stacking energy: -520.706
Base-Backbone interact. energy: 4.497
local terms energy: -609.397636
where:
bonds (distance) C4'-P energy: -130.533
bonds (distance) P-C4' energy: -130.407
flat angles C4'-P-C4' energy: -143.126
flat angles P-C4'-P energy: -59.412
tors. eta vs tors. theta energy: -145.920
Dist. restrs. and SS energy: 4.891 (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: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2945.163055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.163055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.317021 (E_RNA)
where:
Base-Base interactions energy: -2045.650
where: short stacking energy: -856.147
Base-Backbone interact. energy: -2.955
local terms energy: -897.712053
where:
bonds (distance) C4'-P energy: -157.040
bonds (distance) P-C4' energy: -171.440
flat angles C4'-P-C4' energy: -188.645
flat angles P-C4'-P energy: -120.531
tors. eta vs tors. theta energy: -260.057
Dist. restrs. and SS energy: 1.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2845.750142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.750142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.160334 (E_RNA)
where:
Base-Base interactions energy: -1998.903
where: short stacking energy: -819.286
Base-Backbone interact. energy: -1.494
local terms energy: -846.763975
where:
bonds (distance) C4'-P energy: -143.001
bonds (distance) P-C4' energy: -165.281
flat angles C4'-P-C4' energy: -182.912
flat angles P-C4'-P energy: -114.583
tors. eta vs tors. theta energy: -240.986
Dist. restrs. and SS energy: 1.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2729.229188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.229188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.338915 (E_RNA)
where:
Base-Base interactions energy: -1850.557
where: short stacking energy: -787.137
Base-Backbone interact. energy: 3.276
local terms energy: -884.058183
where:
bonds (distance) C4'-P energy: -158.247
bonds (distance) P-C4' energy: -169.726
flat angles C4'-P-C4' energy: -185.779
flat angles P-C4'-P energy: -133.639
tors. eta vs tors. theta energy: -236.667
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2551.714743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.714743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.058074 (E_RNA)
where:
Base-Base interactions energy: -1758.475
where: short stacking energy: -723.345
Base-Backbone interact. energy: -1.705
local terms energy: -792.878463
where:
bonds (distance) C4'-P energy: -144.254
bonds (distance) P-C4' energy: -148.713
flat angles C4'-P-C4' energy: -163.401
flat angles P-C4'-P energy: -116.764
tors. eta vs tors. theta energy: -219.747
Dist. restrs. and SS energy: 1.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2352.553413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.553413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.521515 (E_RNA)
where:
Base-Base interactions energy: -1607.546
where: short stacking energy: -682.685
Base-Backbone interact. energy: -1.620
local terms energy: -745.355430
where:
bonds (distance) C4'-P energy: -128.657
bonds (distance) P-C4' energy: -156.405
flat angles C4'-P-C4' energy: -163.175
flat angles P-C4'-P energy: -112.680
tors. eta vs tors. theta energy: -184.438
Dist. restrs. and SS energy: 1.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2210.125621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.125621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.958978 (E_RNA)
where:
Base-Base interactions energy: -1464.142
where: short stacking energy: -672.910
Base-Backbone interact. energy: -2.292
local terms energy: -745.525009
where:
bonds (distance) C4'-P energy: -133.060
bonds (distance) P-C4' energy: -151.623
flat angles C4'-P-C4' energy: -164.854
flat angles P-C4'-P energy: -111.344
tors. eta vs tors. theta energy: -184.643
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2123.305100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.305100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.523842 (E_RNA)
where:
Base-Base interactions energy: -1467.842
where: short stacking energy: -636.227
Base-Backbone interact. energy: -1.588
local terms energy: -656.093970
where:
bonds (distance) C4'-P energy: -127.692
bonds (distance) P-C4' energy: -117.439
flat angles C4'-P-C4' energy: -162.678
flat angles P-C4'-P energy: -83.994
tors. eta vs tors. theta energy: -164.290
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: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2012.887487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.887487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.236186 (E_RNA)
where:
Base-Base interactions energy: -1375.705
where: short stacking energy: -576.514
Base-Backbone interact. energy: 6.567
local terms energy: -646.098672
where:
bonds (distance) C4'-P energy: -118.397
bonds (distance) P-C4' energy: -159.019
flat angles C4'-P-C4' energy: -140.672
flat angles P-C4'-P energy: -96.446
tors. eta vs tors. theta energy: -131.564
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: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1917.788474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.788474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.211631 (E_RNA)
where:
Base-Base interactions energy: -1302.212
where: short stacking energy: -558.093
Base-Backbone interact. energy: 1.673
local terms energy: -628.673218
where:
bonds (distance) C4'-P energy: -124.178
bonds (distance) P-C4' energy: -132.459
flat angles C4'-P-C4' energy: -152.483
flat angles P-C4'-P energy: -76.470
tors. eta vs tors. theta energy: -143.084
Dist. restrs. and SS energy: 11.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1878.797190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.797190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.525957 (E_RNA)
where:
Base-Base interactions energy: -1275.105
where: short stacking energy: -520.647
Base-Backbone interact. energy: -0.569
local terms energy: -606.852011
where:
bonds (distance) C4'-P energy: -134.252
bonds (distance) P-C4' energy: -108.281
flat angles C4'-P-C4' energy: -138.779
flat angles P-C4'-P energy: -93.780
tors. eta vs tors. theta energy: -131.760
Dist. restrs. and SS energy: 3.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2934.215495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.215495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.306452 (E_RNA)
where:
Base-Base interactions energy: -2047.147
where: short stacking energy: -819.113
Base-Backbone interact. energy: -7.355
local terms energy: -880.804411
where:
bonds (distance) C4'-P energy: -150.318
bonds (distance) P-C4' energy: -163.532
flat angles C4'-P-C4' energy: -187.669
flat angles P-C4'-P energy: -136.086
tors. eta vs tors. theta energy: -243.199
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: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2845.075012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.075012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.594560 (E_RNA)
where:
Base-Base interactions energy: -1993.907
where: short stacking energy: -815.185
Base-Backbone interact. energy: -1.502
local terms energy: -851.185692
where:
bonds (distance) C4'-P energy: -137.118
bonds (distance) P-C4' energy: -166.590
flat angles C4'-P-C4' energy: -192.203
flat angles P-C4'-P energy: -113.498
tors. eta vs tors. theta energy: -241.777
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: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2743.193387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.193387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.935496 (E_RNA)
where:
Base-Base interactions energy: -1909.854
where: short stacking energy: -776.057
Base-Backbone interact. energy: -5.773
local terms energy: -829.308932
where:
bonds (distance) C4'-P energy: -129.625
bonds (distance) P-C4' energy: -169.959
flat angles C4'-P-C4' energy: -172.532
flat angles P-C4'-P energy: -120.155
tors. eta vs tors. theta energy: -237.038
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: 387
Temperature: 1.050000
Total energy: -2563.151099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.151099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.011226 (E_RNA)
where:
Base-Base interactions energy: -1772.052
where: short stacking energy: -781.559
Base-Backbone interact. energy: -2.447
local terms energy: -790.512695
where:
bonds (distance) C4'-P energy: -117.083
bonds (distance) P-C4' energy: -159.145
flat angles C4'-P-C4' energy: -179.944
flat angles P-C4'-P energy: -105.811
tors. eta vs tors. theta energy: -228.529
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: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2395.713165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.713165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.964628 (E_RNA)
where:
Base-Base interactions energy: -1607.776
where: short stacking energy: -682.759
Base-Backbone interact. energy: -0.164
local terms energy: -789.024550
where:
bonds (distance) C4'-P energy: -134.793
bonds (distance) P-C4' energy: -146.457
flat angles C4'-P-C4' energy: -177.173
flat angles P-C4'-P energy: -125.644
tors. eta vs tors. theta energy: -204.957
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2123.248081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.248081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.246625 (E_RNA)
where:
Base-Base interactions energy: -1414.914
where: short stacking energy: -609.242
Base-Backbone interact. energy: -2.043
local terms energy: -709.289851
where:
bonds (distance) C4'-P energy: -138.987
bonds (distance) P-C4' energy: -139.347
flat angles C4'-P-C4' energy: -157.644
flat angles P-C4'-P energy: -93.154
tors. eta vs tors. theta energy: -180.157
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: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2176.334519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.334519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.030413 (E_RNA)
where:
Base-Base interactions energy: -1460.169
where: short stacking energy: -622.979
Base-Backbone interact. energy: 2.713
local terms energy: -720.574851
where:
bonds (distance) C4'-P energy: -158.758
bonds (distance) P-C4' energy: -137.521
flat angles C4'-P-C4' energy: -162.034
flat angles P-C4'-P energy: -96.334
tors. eta vs tors. theta energy: -165.928
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2061.368908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.368908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.637334 (E_RNA)
where:
Base-Base interactions energy: -1382.344
where: short stacking energy: -606.162
Base-Backbone interact. energy: 2.398
local terms energy: -684.691650
where:
bonds (distance) C4'-P energy: -127.135
bonds (distance) P-C4' energy: -143.841
flat angles C4'-P-C4' energy: -152.721
flat angles P-C4'-P energy: -96.353
tors. eta vs tors. theta energy: -164.641
Dist. restrs. and SS energy: 3.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1931.148120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.148120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.259232 (E_RNA)
where:
Base-Base interactions energy: -1294.301
where: short stacking energy: -555.039
Base-Backbone interact. energy: -4.107
local terms energy: -638.850968
where:
bonds (distance) C4'-P energy: -119.172
bonds (distance) P-C4' energy: -129.683
flat angles C4'-P-C4' energy: -151.815
flat angles P-C4'-P energy: -97.768
tors. eta vs tors. theta energy: -140.412
Dist. restrs. and SS energy: 6.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -1851.164955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.164955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.035625 (E_RNA)
where:
Base-Base interactions energy: -1283.249
where: short stacking energy: -534.375
Base-Backbone interact. energy: 7.033
local terms energy: -577.820046
where:
bonds (distance) C4'-P energy: -85.955
bonds (distance) P-C4' energy: -138.150
flat angles C4'-P-C4' energy: -128.209
flat angles P-C4'-P energy: -101.298
tors. eta vs tors. theta energy: -124.207
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2920.201974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.201974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.987957 (E_RNA)
where:
Base-Base interactions energy: -2015.626
where: short stacking energy: -855.586
Base-Backbone interact. energy: 0.500
local terms energy: -906.862126
where:
bonds (distance) C4'-P energy: -162.933
bonds (distance) P-C4' energy: -172.921
flat angles C4'-P-C4' energy: -197.463
flat angles P-C4'-P energy: -131.260
tors. eta vs tors. theta energy: -242.286
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: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2814.509025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.509025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.124483 (E_RNA)
where:
Base-Base interactions energy: -1962.121
where: short stacking energy: -812.888
Base-Backbone interact. energy: -5.412
local terms energy: -848.591199
where:
bonds (distance) C4'-P energy: -159.875
bonds (distance) P-C4' energy: -155.615
flat angles C4'-P-C4' energy: -182.468
flat angles P-C4'-P energy: -117.252
tors. eta vs tors. theta energy: -233.380
Dist. restrs. and SS energy: 1.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2726.280524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.280524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.750108 (E_RNA)
where:
Base-Base interactions energy: -1890.040
where: short stacking energy: -774.556
Base-Backbone interact. energy: -5.138
local terms energy: -833.571564
where:
bonds (distance) C4'-P energy: -161.854
bonds (distance) P-C4' energy: -158.803
flat angles C4'-P-C4' energy: -170.168
flat angles P-C4'-P energy: -116.111
tors. eta vs tors. theta energy: -226.636
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: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2563.841214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.841214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.056930 (E_RNA)
where:
Base-Base interactions energy: -1769.513
where: short stacking energy: -768.264
Base-Backbone interact. energy: -1.825
local terms energy: -794.718591
where:
bonds (distance) C4'-P energy: -141.048
bonds (distance) P-C4' energy: -154.339
flat angles C4'-P-C4' energy: -164.986
flat angles P-C4'-P energy: -107.867
tors. eta vs tors. theta energy: -226.479
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2381.651824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.651824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.040770 (E_RNA)
where:
Base-Base interactions energy: -1633.196
where: short stacking energy: -695.395
Base-Backbone interact. energy: 0.239
local terms energy: -752.083823
where:
bonds (distance) C4'-P energy: -139.994
bonds (distance) P-C4' energy: -151.327
flat angles C4'-P-C4' energy: -163.500
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -200.242
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2166.229071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.229071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.073143 (E_RNA)
where:
Base-Base interactions energy: -1439.929
where: short stacking energy: -621.134
Base-Backbone interact. energy: -1.288
local terms energy: -727.855876
where:
bonds (distance) C4'-P energy: -130.043
bonds (distance) P-C4' energy: -142.482
flat angles C4'-P-C4' energy: -169.403
flat angles P-C4'-P energy: -120.993
tors. eta vs tors. theta energy: -164.934
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: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2130.864405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.864405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.772736 (E_RNA)
where:
Base-Base interactions energy: -1406.622
where: short stacking energy: -607.992
Base-Backbone interact. energy: -1.249
local terms energy: -725.901887
where:
bonds (distance) C4'-P energy: -138.332
bonds (distance) P-C4' energy: -149.048
flat angles C4'-P-C4' energy: -164.643
flat angles P-C4'-P energy: -97.376
tors. eta vs tors. theta energy: -176.503
Dist. restrs. and SS energy: 2.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2053.706398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.706398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.579629 (E_RNA)
where:
Base-Base interactions energy: -1429.589
where: short stacking energy: -572.951
Base-Backbone interact. energy: 7.773
local terms energy: -633.763411
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -132.202
flat angles C4'-P-C4' energy: -138.031
flat angles P-C4'-P energy: -90.227
tors. eta vs tors. theta energy: -151.757
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1946.389815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.389815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.691405 (E_RNA)
where:
Base-Base interactions energy: -1339.391
where: short stacking energy: -559.146
Base-Backbone interact. energy: -1.814
local terms energy: -608.486583
where:
bonds (distance) C4'-P energy: -119.134
bonds (distance) P-C4' energy: -133.685
flat angles C4'-P-C4' energy: -130.357
flat angles P-C4'-P energy: -83.350
tors. eta vs tors. theta energy: -141.960
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1875.920639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.920639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.928521 (E_RNA)
where:
Base-Base interactions energy: -1294.192
where: short stacking energy: -537.565
Base-Backbone interact. energy: 3.664
local terms energy: -588.400748
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -127.759
flat angles C4'-P-C4' energy: -138.935
flat angles P-C4'-P energy: -61.860
tors. eta vs tors. theta energy: -139.728
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: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2949.363019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.363019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.465104 (E_RNA)
where:
Base-Base interactions energy: -2071.397
where: short stacking energy: -846.586
Base-Backbone interact. energy: -3.918
local terms energy: -875.149835
where:
bonds (distance) C4'-P energy: -167.305
bonds (distance) P-C4' energy: -152.314
flat angles C4'-P-C4' energy: -185.575
flat angles P-C4'-P energy: -124.925
tors. eta vs tors. theta energy: -245.031
Dist. restrs. and SS energy: 1.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2802.514431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.514431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.236394 (E_RNA)
where:
Base-Base interactions energy: -1968.994
where: short stacking energy: -803.607
Base-Backbone interact. energy: 2.605
local terms energy: -837.847494
where:
bonds (distance) C4'-P energy: -152.847
bonds (distance) P-C4' energy: -151.628
flat angles C4'-P-C4' energy: -182.623
flat angles P-C4'-P energy: -124.639
tors. eta vs tors. theta energy: -226.110
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: 389
Temperature: 1.000000
Total energy: -2756.827044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.827044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.937621 (E_RNA)
where:
Base-Base interactions energy: -1929.542
where: short stacking energy: -789.422
Base-Backbone interact. energy: -5.063
local terms energy: -824.332124
where:
bonds (distance) C4'-P energy: -131.261
bonds (distance) P-C4' energy: -145.862
flat angles C4'-P-C4' energy: -192.124
flat angles P-C4'-P energy: -118.578
tors. eta vs tors. theta energy: -236.507
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: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2519.745439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.745439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.740314 (E_RNA)
where:
Base-Base interactions energy: -1747.235
where: short stacking energy: -709.709
Base-Backbone interact. energy: -0.676
local terms energy: -773.829565
where:
bonds (distance) C4'-P energy: -146.118
bonds (distance) P-C4' energy: -151.614
flat angles C4'-P-C4' energy: -165.083
flat angles P-C4'-P energy: -95.814
tors. eta vs tors. theta energy: -215.201
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: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2390.490185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.490185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.465569 (E_RNA)
where:
Base-Base interactions energy: -1629.172
where: short stacking energy: -696.793
Base-Backbone interact. energy: 2.250
local terms energy: -766.543672
where:
bonds (distance) C4'-P energy: -146.173
bonds (distance) P-C4' energy: -147.346
flat angles C4'-P-C4' energy: -169.713
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -207.799
Dist. restrs. and SS energy: 2.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2194.897491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.897491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.970643 (E_RNA)
where:
Base-Base interactions energy: -1471.783
where: short stacking energy: -638.257
Base-Backbone interact. energy: -0.748
local terms energy: -724.439038
where:
bonds (distance) C4'-P energy: -147.008
bonds (distance) P-C4' energy: -151.237
flat angles C4'-P-C4' energy: -155.963
flat angles P-C4'-P energy: -93.568
tors. eta vs tors. theta energy: -176.663
Dist. restrs. and SS energy: 2.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2113.702601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.702601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.869868 (E_RNA)
where:
Base-Base interactions energy: -1401.992
where: short stacking energy: -610.418
Base-Backbone interact. energy: 0.996
local terms energy: -714.874079
where:
bonds (distance) C4'-P energy: -137.858
bonds (distance) P-C4' energy: -154.636
flat angles C4'-P-C4' energy: -150.251
flat angles P-C4'-P energy: -109.113
tors. eta vs tors. theta energy: -163.016
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1981.651819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.651819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.802862 (E_RNA)
where:
Base-Base interactions energy: -1332.159
where: short stacking energy: -552.553
Base-Backbone interact. energy: 0.084
local terms energy: -652.728421
where:
bonds (distance) C4'-P energy: -128.734
bonds (distance) P-C4' energy: -146.784
flat angles C4'-P-C4' energy: -140.418
flat angles P-C4'-P energy: -90.177
tors. eta vs tors. theta energy: -146.616
Dist. restrs. and SS energy: 3.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1957.049524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.049524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.583457 (E_RNA)
where:
Base-Base interactions energy: -1305.968
where: short stacking energy: -552.652
Base-Backbone interact. energy: 1.806
local terms energy: -657.421396
where:
bonds (distance) C4'-P energy: -127.694
bonds (distance) P-C4' energy: -144.826
flat angles C4'-P-C4' energy: -137.639
flat angles P-C4'-P energy: -92.162
tors. eta vs tors. theta energy: -155.101
Dist. restrs. and SS energy: 4.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1868.659983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.659983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.942167 (E_RNA)
where:
Base-Base interactions energy: -1285.060
where: short stacking energy: -501.746
Base-Backbone interact. energy: 0.471
local terms energy: -587.353863
where:
bonds (distance) C4'-P energy: -130.223
bonds (distance) P-C4' energy: -106.758
flat angles C4'-P-C4' energy: -146.773
flat angles P-C4'-P energy: -80.317
tors. eta vs tors. theta energy: -123.283
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: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2922.429148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.429148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.876703 (E_RNA)
where:
Base-Base interactions energy: -2031.633
where: short stacking energy: -851.423
Base-Backbone interact. energy: -2.808
local terms energy: -890.436099
where:
bonds (distance) C4'-P energy: -160.112
bonds (distance) P-C4' energy: -166.169
flat angles C4'-P-C4' energy: -194.719
flat angles P-C4'-P energy: -121.501
tors. eta vs tors. theta energy: -247.935
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2795.744100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.744100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.250657 (E_RNA)
where:
Base-Base interactions energy: -1938.205
where: short stacking energy: -797.547
Base-Backbone interact. energy: -6.908
local terms energy: -852.137135
where:
bonds (distance) C4'-P energy: -162.874
bonds (distance) P-C4' energy: -162.790
flat angles C4'-P-C4' energy: -169.569
flat angles P-C4'-P energy: -118.820
tors. eta vs tors. theta energy: -238.083
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2744.014124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.014124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.449633 (E_RNA)
where:
Base-Base interactions energy: -1907.259
where: short stacking energy: -791.065
Base-Backbone interact. energy: -1.652
local terms energy: -836.538906
where:
bonds (distance) C4'-P energy: -157.062
bonds (distance) P-C4' energy: -153.451
flat angles C4'-P-C4' energy: -169.903
flat angles P-C4'-P energy: -114.198
tors. eta vs tors. theta energy: -241.925
Dist. restrs. and SS energy: 1.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2548.996050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.996050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.119507 (E_RNA)
where:
Base-Base interactions energy: -1734.092
where: short stacking energy: -719.695
Base-Backbone interact. energy: -4.070
local terms energy: -811.957523
where:
bonds (distance) C4'-P energy: -145.693
bonds (distance) P-C4' energy: -159.197
flat angles C4'-P-C4' energy: -180.393
flat angles P-C4'-P energy: -126.022
tors. eta vs tors. theta energy: -200.652
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2406.050542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.050542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.231366 (E_RNA)
where:
Base-Base interactions energy: -1627.221
where: short stacking energy: -695.723
Base-Backbone interact. energy: -2.136
local terms energy: -778.874685
where:
bonds (distance) C4'-P energy: -126.483
bonds (distance) P-C4' energy: -167.363
flat angles C4'-P-C4' energy: -172.555
flat angles P-C4'-P energy: -106.374
tors. eta vs tors. theta energy: -206.098
Dist. restrs. and SS energy: 2.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2251.187109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.187109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.739566 (E_RNA)
where:
Base-Base interactions energy: -1531.620
where: short stacking energy: -667.528
Base-Backbone interact. energy: 0.047
local terms energy: -721.166659
where:
bonds (distance) C4'-P energy: -134.496
bonds (distance) P-C4' energy: -157.378
flat angles C4'-P-C4' energy: -152.048
flat angles P-C4'-P energy: -94.266
tors. eta vs tors. theta energy: -182.978
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: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2103.365969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.365969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.829470 (E_RNA)
where:
Base-Base interactions energy: -1440.585
where: short stacking energy: -624.585
Base-Backbone interact. energy: -1.211
local terms energy: -664.033738
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -144.885
flat angles C4'-P-C4' energy: -152.368
flat angles P-C4'-P energy: -97.897
tors. eta vs tors. theta energy: -158.658
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: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2002.980024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.980024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.066113 (E_RNA)
where:
Base-Base interactions energy: -1360.052
where: short stacking energy: -582.317
Base-Backbone interact. energy: -0.372
local terms energy: -644.641481
where:
bonds (distance) C4'-P energy: -138.274
bonds (distance) P-C4' energy: -124.855
flat angles C4'-P-C4' energy: -145.937
flat angles P-C4'-P energy: -85.276
tors. eta vs tors. theta energy: -150.299
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: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1962.498415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.498415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.647264 (E_RNA)
where:
Base-Base interactions energy: -1359.070
where: short stacking energy: -547.439
Base-Backbone interact. energy: -0.838
local terms energy: -605.739533
where:
bonds (distance) C4'-P energy: -133.908
bonds (distance) P-C4' energy: -117.849
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -135.984
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: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1866.409664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.409664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.938646 (E_RNA)
where:
Base-Base interactions energy: -1259.626
where: short stacking energy: -516.276
Base-Backbone interact. energy: -1.671
local terms energy: -608.642100
where:
bonds (distance) C4'-P energy: -119.811
bonds (distance) P-C4' energy: -125.935
flat angles C4'-P-C4' energy: -137.727
flat angles P-C4'-P energy: -78.639
tors. eta vs tors. theta energy: -146.530
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: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2917.835029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.835029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.118658 (E_RNA)
where:
Base-Base interactions energy: -2031.415
where: short stacking energy: -820.427
Base-Backbone interact. energy: -3.848
local terms energy: -883.855529
where:
bonds (distance) C4'-P energy: -176.667
bonds (distance) P-C4' energy: -157.098
flat angles C4'-P-C4' energy: -178.408
flat angles P-C4'-P energy: -126.762
tors. eta vs tors. theta energy: -244.921
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2818.792837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.792837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.659922 (E_RNA)
where:
Base-Base interactions energy: -2003.565
where: short stacking energy: -842.636
Base-Backbone interact. energy: -1.260
local terms energy: -815.834909
where:
bonds (distance) C4'-P energy: -138.461
bonds (distance) P-C4' energy: -146.116
flat angles C4'-P-C4' energy: -175.070
flat angles P-C4'-P energy: -124.694
tors. eta vs tors. theta energy: -231.493
Dist. restrs. and SS energy: 1.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2750.424990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.424990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.208677 (E_RNA)
where:
Base-Base interactions energy: -1897.572
where: short stacking energy: -769.662
Base-Backbone interact. energy: -2.261
local terms energy: -852.375050
where:
bonds (distance) C4'-P energy: -144.719
bonds (distance) P-C4' energy: -160.696
flat angles C4'-P-C4' energy: -196.168
flat angles P-C4'-P energy: -111.338
tors. eta vs tors. theta energy: -239.455
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: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2518.024049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.024049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.379832 (E_RNA)
where:
Base-Base interactions energy: -1721.990
where: short stacking energy: -738.073
Base-Backbone interact. energy: -0.995
local terms energy: -797.394568
where:
bonds (distance) C4'-P energy: -146.265
bonds (distance) P-C4' energy: -157.727
flat angles C4'-P-C4' energy: -157.359
flat angles P-C4'-P energy: -109.145
tors. eta vs tors. theta energy: -226.898
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: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2443.355173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.355173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.244360 (E_RNA)
where:
Base-Base interactions energy: -1661.194
where: short stacking energy: -710.123
Base-Backbone interact. energy: -1.691
local terms energy: -782.359185
where:
bonds (distance) C4'-P energy: -166.459
bonds (distance) P-C4' energy: -139.951
flat angles C4'-P-C4' energy: -167.312
flat angles P-C4'-P energy: -94.043
tors. eta vs tors. theta energy: -214.594
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2213.305818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.305818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.601919 (E_RNA)
where:
Base-Base interactions energy: -1477.377
where: short stacking energy: -631.825
Base-Backbone interact. energy: -0.091
local terms energy: -740.133581
where:
bonds (distance) C4'-P energy: -145.540
bonds (distance) P-C4' energy: -152.913
flat angles C4'-P-C4' energy: -159.527
flat angles P-C4'-P energy: -98.372
tors. eta vs tors. theta energy: -183.781
Dist. restrs. and SS energy: 4.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2089.829960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.829960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.413772 (E_RNA)
where:
Base-Base interactions energy: -1384.471
where: short stacking energy: -587.842
Base-Backbone interact. energy: 0.969
local terms energy: -708.911575
where:
bonds (distance) C4'-P energy: -130.224
bonds (distance) P-C4' energy: -149.179
flat angles C4'-P-C4' energy: -162.897
flat angles P-C4'-P energy: -99.396
tors. eta vs tors. theta energy: -167.216
Dist. restrs. and SS energy: 2.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1998.466516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.466516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.051870 (E_RNA)
where:
Base-Base interactions energy: -1362.441
where: short stacking energy: -600.275
Base-Backbone interact. energy: -3.535
local terms energy: -635.074996
where:
bonds (distance) C4'-P energy: -125.282
bonds (distance) P-C4' energy: -130.273
flat angles C4'-P-C4' energy: -132.828
flat angles P-C4'-P energy: -97.527
tors. eta vs tors. theta energy: -149.164
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: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1930.707591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.707591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.941082 (E_RNA)
where:
Base-Base interactions energy: -1333.553
where: short stacking energy: -536.533
Base-Backbone interact. energy: 1.312
local terms energy: -601.699372
where:
bonds (distance) C4'-P energy: -107.326
bonds (distance) P-C4' energy: -138.279
flat angles C4'-P-C4' energy: -149.265
flat angles P-C4'-P energy: -77.221
tors. eta vs tors. theta energy: -129.609
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: 391
Temperature: 1.350000
Total energy: -1916.111300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.111300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.709767 (E_RNA)
where:
Base-Base interactions energy: -1287.448
where: short stacking energy: -527.398
Base-Backbone interact. energy: 10.168
local terms energy: -642.429913
where:
bonds (distance) C4'-P energy: -146.501
bonds (distance) P-C4' energy: -126.431
flat angles C4'-P-C4' energy: -142.541
flat angles P-C4'-P energy: -85.541
tors. eta vs tors. theta energy: -141.415
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2920.711360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.711360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.826916 (E_RNA)
where:
Base-Base interactions energy: -2051.038
where: short stacking energy: -843.994
Base-Backbone interact. energy: -1.140
local terms energy: -869.649662
where:
bonds (distance) C4'-P energy: -164.677
bonds (distance) P-C4' energy: -154.698
flat angles C4'-P-C4' energy: -188.043
flat angles P-C4'-P energy: -125.546
tors. eta vs tors. theta energy: -236.686
Dist. restrs. and SS energy: 1.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2803.840524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.840524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.159085 (E_RNA)
where:
Base-Base interactions energy: -1961.713
where: short stacking energy: -800.552
Base-Backbone interact. energy: -2.456
local terms energy: -840.990104
where:
bonds (distance) C4'-P energy: -156.414
bonds (distance) P-C4' energy: -145.223
flat angles C4'-P-C4' energy: -178.642
flat angles P-C4'-P energy: -120.237
tors. eta vs tors. theta energy: -240.474
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2714.354495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.354495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.339131 (E_RNA)
where:
Base-Base interactions energy: -1880.717
where: short stacking energy: -777.575
Base-Backbone interact. energy: 4.327
local terms energy: -839.949565
where:
bonds (distance) C4'-P energy: -135.894
bonds (distance) P-C4' energy: -162.435
flat angles C4'-P-C4' energy: -183.452
flat angles P-C4'-P energy: -115.989
tors. eta vs tors. theta energy: -242.181
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: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2550.256155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.256155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.335749 (E_RNA)
where:
Base-Base interactions energy: -1732.951
where: short stacking energy: -731.543
Base-Backbone interact. energy: 3.650
local terms energy: -824.034220
where:
bonds (distance) C4'-P energy: -143.952
bonds (distance) P-C4' energy: -161.527
flat angles C4'-P-C4' energy: -174.368
flat angles P-C4'-P energy: -133.858
tors. eta vs tors. theta energy: -210.329
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: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2405.062493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.062493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.552874 (E_RNA)
where:
Base-Base interactions energy: -1658.571
where: short stacking energy: -709.932
Base-Backbone interact. energy: 0.700
local terms energy: -749.681726
where:
bonds (distance) C4'-P energy: -138.752
bonds (distance) P-C4' energy: -134.709
flat angles C4'-P-C4' energy: -166.782
flat angles P-C4'-P energy: -116.783
tors. eta vs tors. theta energy: -192.656
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2201.699614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.588879 (E_RNA)
where:
Base-Base interactions energy: -1481.480
where: short stacking energy: -642.012
Base-Backbone interact. energy: 0.085
local terms energy: -722.193431
where:
bonds (distance) C4'-P energy: -114.132
bonds (distance) P-C4' energy: -148.244
flat angles C4'-P-C4' energy: -176.800
flat angles P-C4'-P energy: -113.599
tors. eta vs tors. theta energy: -169.418
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2150.883702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.883702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.630578 (E_RNA)
where:
Base-Base interactions energy: -1454.694
where: short stacking energy: -604.066
Base-Backbone interact. energy: 1.520
local terms energy: -699.456425
where:
bonds (distance) C4'-P energy: -122.413
bonds (distance) P-C4' energy: -145.144
flat angles C4'-P-C4' energy: -157.138
flat angles P-C4'-P energy: -123.123
tors. eta vs tors. theta energy: -151.639
Dist. restrs. and SS energy: 1.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2019.748342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.748342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.155455 (E_RNA)
where:
Base-Base interactions energy: -1370.531
where: short stacking energy: -584.301
Base-Backbone interact. energy: 1.515
local terms energy: -654.139702
where:
bonds (distance) C4'-P energy: -128.617
bonds (distance) P-C4' energy: -133.840
flat angles C4'-P-C4' energy: -151.029
flat angles P-C4'-P energy: -88.895
tors. eta vs tors. theta energy: -151.759
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1949.273854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.273854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.589854 (E_RNA)
where:
Base-Base interactions energy: -1316.768
where: short stacking energy: -550.210
Base-Backbone interact. energy: -0.930
local terms energy: -634.891846
where:
bonds (distance) C4'-P energy: -121.825
bonds (distance) P-C4' energy: -133.132
flat angles C4'-P-C4' energy: -141.733
flat angles P-C4'-P energy: -79.809
tors. eta vs tors. theta energy: -158.393
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: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1878.561831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.561831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.217457 (E_RNA)
where:
Base-Base interactions energy: -1312.010
where: short stacking energy: -521.974
Base-Backbone interact. energy: -0.512
local terms energy: -567.695362
where:
bonds (distance) C4'-P energy: -109.583
bonds (distance) P-C4' energy: -115.718
flat angles C4'-P-C4' energy: -143.744
flat angles P-C4'-P energy: -67.164
tors. eta vs tors. theta energy: -131.487
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: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2904.241507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.241507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.988654 (E_RNA)
where:
Base-Base interactions energy: -2053.351
where: short stacking energy: -858.035
Base-Backbone interact. energy: 1.598
local terms energy: -853.235031
where:
bonds (distance) C4'-P energy: -152.606
bonds (distance) P-C4' energy: -151.965
flat angles C4'-P-C4' energy: -188.959
flat angles P-C4'-P energy: -122.157
tors. eta vs tors. theta energy: -237.548
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2804.240555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.240555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.636444 (E_RNA)
where:
Base-Base interactions energy: -1922.575
where: short stacking energy: -814.164
Base-Backbone interact. energy: -5.278
local terms energy: -878.782680
where:
bonds (distance) C4'-P energy: -168.574
bonds (distance) P-C4' energy: -157.356
flat angles C4'-P-C4' energy: -192.645
flat angles P-C4'-P energy: -114.474
tors. eta vs tors. theta energy: -245.734
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: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2707.794727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.794727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.492501 (E_RNA)
where:
Base-Base interactions energy: -1878.389
where: short stacking energy: -766.606
Base-Backbone interact. energy: -1.565
local terms energy: -830.538709
where:
bonds (distance) C4'-P energy: -157.503
bonds (distance) P-C4' energy: -152.822
flat angles C4'-P-C4' energy: -173.604
flat angles P-C4'-P energy: -118.607
tors. eta vs tors. theta energy: -228.002
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: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2427.184307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.184307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.498291 (E_RNA)
where:
Base-Base interactions energy: -1654.582
where: short stacking energy: -694.842
Base-Backbone interact. energy: -3.252
local terms energy: -770.664313
where:
bonds (distance) C4'-P energy: -154.849
bonds (distance) P-C4' energy: -149.258
flat angles C4'-P-C4' energy: -162.665
flat angles P-C4'-P energy: -102.956
tors. eta vs tors. theta energy: -200.936
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: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2448.051278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.051278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.802945 (E_RNA)
where:
Base-Base interactions energy: -1704.966
where: short stacking energy: -694.133
Base-Backbone interact. energy: 5.760
local terms energy: -750.596491
where:
bonds (distance) C4'-P energy: -137.190
bonds (distance) P-C4' energy: -135.640
flat angles C4'-P-C4' energy: -175.836
flat angles P-C4'-P energy: -105.207
tors. eta vs tors. theta energy: -196.724
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: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2234.777852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.777852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.954836 (E_RNA)
where:
Base-Base interactions energy: -1526.240
where: short stacking energy: -654.093
Base-Backbone interact. energy: -3.831
local terms energy: -706.884578
where:
bonds (distance) C4'-P energy: -145.194
bonds (distance) P-C4' energy: -132.595
flat angles C4'-P-C4' energy: -158.340
flat angles P-C4'-P energy: -92.158
tors. eta vs tors. theta energy: -178.597
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2144.739279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.739279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.301889 (E_RNA)
where:
Base-Base interactions energy: -1439.349
where: short stacking energy: -639.410
Base-Backbone interact. energy: -2.600
local terms energy: -705.352516
where:
bonds (distance) C4'-P energy: -141.687
bonds (distance) P-C4' energy: -142.959
flat angles C4'-P-C4' energy: -159.448
flat angles P-C4'-P energy: -89.898
tors. eta vs tors. theta energy: -171.360
Dist. restrs. and SS energy: 2.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1982.476390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.476390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.632488 (E_RNA)
where:
Base-Base interactions energy: -1357.060
where: short stacking energy: -550.769
Base-Backbone interact. energy: 3.363
local terms energy: -630.935248
where:
bonds (distance) C4'-P energy: -121.175
bonds (distance) P-C4' energy: -140.091
flat angles C4'-P-C4' energy: -143.823
flat angles P-C4'-P energy: -84.856
tors. eta vs tors. theta energy: -140.991
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: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1939.792135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.792135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.506692 (E_RNA)
where:
Base-Base interactions energy: -1315.994
where: short stacking energy: -552.603
Base-Backbone interact. energy: 7.889
local terms energy: -636.401856
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -124.755
flat angles C4'-P-C4' energy: -139.659
flat angles P-C4'-P energy: -98.559
tors. eta vs tors. theta energy: -137.429
Dist. restrs. and SS energy: 4.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1878.721790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.297285 (E_RNA)
where:
Base-Base interactions energy: -1312.491
where: short stacking energy: -543.605
Base-Backbone interact. energy: 0.149
local terms energy: -568.955324
where:
bonds (distance) C4'-P energy: -111.948
bonds (distance) P-C4' energy: -124.290
flat angles C4'-P-C4' energy: -123.030
flat angles P-C4'-P energy: -69.035
tors. eta vs tors. theta energy: -140.652
Dist. restrs. and SS energy: 2.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2921.800737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.800737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.872226 (E_RNA)
where:
Base-Base interactions energy: -2057.821
where: short stacking energy: -846.730
Base-Backbone interact. energy: -2.528
local terms energy: -862.522646
where:
bonds (distance) C4'-P energy: -147.541
bonds (distance) P-C4' energy: -158.066
flat angles C4'-P-C4' energy: -195.742
flat angles P-C4'-P energy: -124.470
tors. eta vs tors. theta energy: -236.705
Dist. restrs. and SS energy: 1.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2823.150134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.150134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.006969 (E_RNA)
where:
Base-Base interactions energy: -1958.942
where: short stacking energy: -810.050
Base-Backbone interact. energy: -6.907
local terms energy: -858.157791
where:
bonds (distance) C4'-P energy: -153.006
bonds (distance) P-C4' energy: -152.683
flat angles C4'-P-C4' energy: -189.760
flat angles P-C4'-P energy: -122.061
tors. eta vs tors. theta energy: -240.649
Dist. restrs. and SS energy: 0.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2757.564037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.564037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.184933 (E_RNA)
where:
Base-Base interactions energy: -1938.215
where: short stacking energy: -791.724
Base-Backbone interact. energy: 3.593
local terms energy: -825.562947
where:
bonds (distance) C4'-P energy: -140.974
bonds (distance) P-C4' energy: -142.209
flat angles C4'-P-C4' energy: -179.388
flat angles P-C4'-P energy: -113.276
tors. eta vs tors. theta energy: -249.715
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: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2506.130335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.130335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.500216 (E_RNA)
where:
Base-Base interactions energy: -1699.478
where: short stacking energy: -732.579
Base-Backbone interact. energy: -0.462
local terms energy: -807.559906
where:
bonds (distance) C4'-P energy: -146.526
bonds (distance) P-C4' energy: -151.797
flat angles C4'-P-C4' energy: -169.575
flat angles P-C4'-P energy: -114.562
tors. eta vs tors. theta energy: -225.100
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2479.151953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.151953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.116917 (E_RNA)
where:
Base-Base interactions energy: -1730.248
where: short stacking energy: -721.659
Base-Backbone interact. energy: 5.703
local terms energy: -757.571749
where:
bonds (distance) C4'-P energy: -162.599
bonds (distance) P-C4' energy: -112.284
flat angles C4'-P-C4' energy: -158.972
flat angles P-C4'-P energy: -110.412
tors. eta vs tors. theta energy: -213.305
Dist. restrs. and SS energy: 2.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2187.219580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.219580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.261549 (E_RNA)
where:
Base-Base interactions energy: -1473.821
where: short stacking energy: -646.127
Base-Backbone interact. energy: 3.195
local terms energy: -719.634918
where:
bonds (distance) C4'-P energy: -127.397
bonds (distance) P-C4' energy: -137.527
flat angles C4'-P-C4' energy: -179.432
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -175.685
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: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2180.496437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.496437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.080388 (E_RNA)
where:
Base-Base interactions energy: -1472.408
where: short stacking energy: -646.259
Base-Backbone interact. energy: -2.012
local terms energy: -709.660250
where:
bonds (distance) C4'-P energy: -134.503
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -156.697
flat angles P-C4'-P energy: -100.790
tors. eta vs tors. theta energy: -179.457
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2015.107550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.107550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.920744 (E_RNA)
where:
Base-Base interactions energy: -1355.706
where: short stacking energy: -568.283
Base-Backbone interact. energy: -0.576
local terms energy: -660.637998
where:
bonds (distance) C4'-P energy: -142.943
bonds (distance) P-C4' energy: -134.141
flat angles C4'-P-C4' energy: -134.409
flat angles P-C4'-P energy: -101.640
tors. eta vs tors. theta energy: -147.505
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: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1927.876422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.876422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.591223 (E_RNA)
where:
Base-Base interactions energy: -1301.206
where: short stacking energy: -539.427
Base-Backbone interact. energy: 2.285
local terms energy: -631.670094
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -133.851
flat angles C4'-P-C4' energy: -159.944
flat angles P-C4'-P energy: -84.664
tors. eta vs tors. theta energy: -140.619
Dist. restrs. and SS energy: 2.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1840.919726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.919726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.314691 (E_RNA)
where:
Base-Base interactions energy: -1247.871
where: short stacking energy: -517.467
Base-Backbone interact. energy: -2.440
local terms energy: -595.003291
where:
bonds (distance) C4'-P energy: -113.456
bonds (distance) P-C4' energy: -135.053
flat angles C4'-P-C4' energy: -128.711
flat angles P-C4'-P energy: -92.752
tors. eta vs tors. theta energy: -125.031
Dist. restrs. and SS energy: 4.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2931.183613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.183613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.153749 (E_RNA)
where:
Base-Base interactions energy: -2073.379
where: short stacking energy: -843.687
Base-Backbone interact. energy: -3.286
local terms energy: -856.488271
where:
bonds (distance) C4'-P energy: -161.562
bonds (distance) P-C4' energy: -161.632
flat angles C4'-P-C4' energy: -173.182
flat angles P-C4'-P energy: -114.244
tors. eta vs tors. theta energy: -245.869
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2816.111684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.111684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.141196 (E_RNA)
where:
Base-Base interactions energy: -1963.276
where: short stacking energy: -811.001
Base-Backbone interact. energy: 2.831
local terms energy: -857.695784
where:
bonds (distance) C4'-P energy: -166.182
bonds (distance) P-C4' energy: -162.057
flat angles C4'-P-C4' energy: -181.747
flat angles P-C4'-P energy: -102.005
tors. eta vs tors. theta energy: -245.705
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2744.379286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.379286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.648640 (E_RNA)
where:
Base-Base interactions energy: -1903.229
where: short stacking energy: -792.049
Base-Backbone interact. energy: 1.487
local terms energy: -843.906369
where:
bonds (distance) C4'-P energy: -158.702
bonds (distance) P-C4' energy: -153.943
flat angles C4'-P-C4' energy: -179.387
flat angles P-C4'-P energy: -127.141
tors. eta vs tors. theta energy: -224.733
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: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2551.502902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.502902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.500468 (E_RNA)
where:
Base-Base interactions energy: -1762.164
where: short stacking energy: -738.472
Base-Backbone interact. energy: -3.330
local terms energy: -788.006367
where:
bonds (distance) C4'-P energy: -139.082
bonds (distance) P-C4' energy: -155.714
flat angles C4'-P-C4' energy: -173.927
flat angles P-C4'-P energy: -110.129
tors. eta vs tors. theta energy: -209.154
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: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2468.385728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.385728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.847089 (E_RNA)
where:
Base-Base interactions energy: -1681.841
where: short stacking energy: -722.075
Base-Backbone interact. energy: 0.503
local terms energy: -788.508927
where:
bonds (distance) C4'-P energy: -148.923
bonds (distance) P-C4' energy: -141.973
flat angles C4'-P-C4' energy: -173.746
flat angles P-C4'-P energy: -107.870
tors. eta vs tors. theta energy: -215.996
Dist. restrs. and SS energy: 1.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2259.681251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.681251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.218841 (E_RNA)
where:
Base-Base interactions energy: -1522.093
where: short stacking energy: -659.242
Base-Backbone interact. energy: -3.443
local terms energy: -736.682983
where:
bonds (distance) C4'-P energy: -143.252
bonds (distance) P-C4' energy: -144.688
flat angles C4'-P-C4' energy: -168.855
flat angles P-C4'-P energy: -104.201
tors. eta vs tors. theta energy: -175.687
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: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2117.761655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.761655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.846918 (E_RNA)
where:
Base-Base interactions energy: -1390.354
where: short stacking energy: -609.899
Base-Backbone interact. energy: -0.437
local terms energy: -729.056373
where:
bonds (distance) C4'-P energy: -123.962
bonds (distance) P-C4' energy: -151.841
flat angles C4'-P-C4' energy: -161.344
flat angles P-C4'-P energy: -117.165
tors. eta vs tors. theta energy: -174.744
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2013.956706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.956706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.319160 (E_RNA)
where:
Base-Base interactions energy: -1355.252
where: short stacking energy: -581.071
Base-Backbone interact. energy: -0.927
local terms energy: -660.140328
where:
bonds (distance) C4'-P energy: -118.568
bonds (distance) P-C4' energy: -142.744
flat angles C4'-P-C4' energy: -154.640
flat angles P-C4'-P energy: -91.506
tors. eta vs tors. theta energy: -152.682
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1992.414241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.414241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.828131 (E_RNA)
where:
Base-Base interactions energy: -1326.399
where: short stacking energy: -571.804
Base-Backbone interact. energy: -3.694
local terms energy: -665.735018
where:
bonds (distance) C4'-P energy: -126.156
bonds (distance) P-C4' energy: -118.968
flat angles C4'-P-C4' energy: -162.343
flat angles P-C4'-P energy: -102.872
tors. eta vs tors. theta energy: -155.395
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: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1858.728066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.728066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.694203 (E_RNA)
where:
Base-Base interactions energy: -1264.753
where: short stacking energy: -529.473
Base-Backbone interact. energy: 1.563
local terms energy: -599.503847
where:
bonds (distance) C4'-P energy: -128.618
bonds (distance) P-C4' energy: -127.889
flat angles C4'-P-C4' energy: -131.954
flat angles P-C4'-P energy: -76.541
tors. eta vs tors. theta energy: -134.502
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: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2904.718796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.718796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.266915 (E_RNA)
where:
Base-Base interactions energy: -2021.279
where: short stacking energy: -828.391
Base-Backbone interact. energy: -3.708
local terms energy: -881.279874
where:
bonds (distance) C4'-P energy: -170.795
bonds (distance) P-C4' energy: -154.748
flat angles C4'-P-C4' energy: -187.591
flat angles P-C4'-P energy: -130.479
tors. eta vs tors. theta energy: -237.667
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: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2827.858536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.858536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.781150 (E_RNA)
where:
Base-Base interactions energy: -1980.794
where: short stacking energy: -802.848
Base-Backbone interact. energy: -2.740
local terms energy: -846.247287
where:
bonds (distance) C4'-P energy: -154.080
bonds (distance) P-C4' energy: -162.630
flat angles C4'-P-C4' energy: -178.127
flat angles P-C4'-P energy: -121.917
tors. eta vs tors. theta energy: -229.493
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2765.242766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.242766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.856487 (E_RNA)
where:
Base-Base interactions energy: -1940.248
where: short stacking energy: -810.582
Base-Backbone interact. energy: -4.325
local terms energy: -823.283583
where:
bonds (distance) C4'-P energy: -140.085
bonds (distance) P-C4' energy: -144.248
flat angles C4'-P-C4' energy: -173.454
flat angles P-C4'-P energy: -124.060
tors. eta vs tors. theta energy: -241.437
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: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2564.140972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.140972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.999265 (E_RNA)
where:
Base-Base interactions energy: -1759.828
where: short stacking energy: -753.353
Base-Backbone interact. energy: -1.192
local terms energy: -803.978832
where:
bonds (distance) C4'-P energy: -148.205
bonds (distance) P-C4' energy: -140.343
flat angles C4'-P-C4' energy: -169.993
flat angles P-C4'-P energy: -123.566
tors. eta vs tors. theta energy: -221.871
Dist. restrs. and SS energy: 0.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2460.118742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.118742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.335770 (E_RNA)
where:
Base-Base interactions energy: -1655.823
where: short stacking energy: -682.718
Base-Backbone interact. energy: 2.876
local terms energy: -809.389199
where:
bonds (distance) C4'-P energy: -146.092
bonds (distance) P-C4' energy: -170.341
flat angles C4'-P-C4' energy: -169.473
flat angles P-C4'-P energy: -111.848
tors. eta vs tors. theta energy: -211.634
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: 396
Temperature: 1.150000
Total energy: -2183.569538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.569538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.092674 (E_RNA)
where:
Base-Base interactions energy: -1506.935
where: short stacking energy: -619.989
Base-Backbone interact. energy: -1.222
local terms energy: -677.935934
where:
bonds (distance) C4'-P energy: -119.079
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -164.381
flat angles P-C4'-P energy: -92.202
tors. eta vs tors. theta energy: -157.494
Dist. restrs. and SS energy: 2.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2068.214748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.214748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.818038 (E_RNA)
where:
Base-Base interactions energy: -1380.850
where: short stacking energy: -595.403
Base-Backbone interact. energy: -4.209
local terms energy: -685.758455
where:
bonds (distance) C4'-P energy: -151.652
bonds (distance) P-C4' energy: -135.714
flat angles C4'-P-C4' energy: -134.953
flat angles P-C4'-P energy: -102.199
tors. eta vs tors. theta energy: -161.241
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2035.188418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.188418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.476927 (E_RNA)
where:
Base-Base interactions energy: -1368.728
where: short stacking energy: -572.156
Base-Backbone interact. energy: -1.162
local terms energy: -667.586174
where:
bonds (distance) C4'-P energy: -139.737
bonds (distance) P-C4' energy: -126.703
flat angles C4'-P-C4' energy: -156.909
flat angles P-C4'-P energy: -92.886
tors. eta vs tors. theta energy: -151.352
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: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1921.205071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.205071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.522360 (E_RNA)
where:
Base-Base interactions energy: -1288.488
where: short stacking energy: -536.356
Base-Backbone interact. energy: 3.573
local terms energy: -638.607184
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -131.739
flat angles C4'-P-C4' energy: -151.303
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -125.180
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: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1852.067629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.067629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.876656 (E_RNA)
where:
Base-Base interactions energy: -1240.459
where: short stacking energy: -518.589
Base-Backbone interact. energy: 5.455
local terms energy: -620.872628
where:
bonds (distance) C4'-P energy: -122.532
bonds (distance) P-C4' energy: -134.571
flat angles C4'-P-C4' energy: -135.871
flat angles P-C4'-P energy: -88.775
tors. eta vs tors. theta energy: -139.124
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: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2917.582952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.582952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.674443 (E_RNA)
where:
Base-Base interactions energy: -2046.544
where: short stacking energy: -851.123
Base-Backbone interact. energy: -4.525
local terms energy: -867.605675
where:
bonds (distance) C4'-P energy: -154.400
bonds (distance) P-C4' energy: -163.805
flat angles C4'-P-C4' energy: -187.464
flat angles P-C4'-P energy: -123.274
tors. eta vs tors. theta energy: -238.663
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2817.983244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.983244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.840419 (E_RNA)
where:
Base-Base interactions energy: -1987.808
where: short stacking energy: -806.637
Base-Backbone interact. energy: 3.498
local terms energy: -835.530654
where:
bonds (distance) C4'-P energy: -153.082
bonds (distance) P-C4' energy: -141.720
flat angles C4'-P-C4' energy: -170.489
flat angles P-C4'-P energy: -127.497
tors. eta vs tors. theta energy: -242.742
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2768.760125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.826074 (E_RNA)
where:
Base-Base interactions energy: -1939.970
where: short stacking energy: -806.943
Base-Backbone interact. energy: 0.383
local terms energy: -831.238918
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -154.873
flat angles C4'-P-C4' energy: -173.381
flat angles P-C4'-P energy: -130.746
tors. eta vs tors. theta energy: -245.175
Dist. restrs. and SS energy: 2.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2527.487060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.487060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.819247 (E_RNA)
where:
Base-Base interactions energy: -1748.859
where: short stacking energy: -718.179
Base-Backbone interact. energy: -0.534
local terms energy: -779.426404
where:
bonds (distance) C4'-P energy: -146.898
bonds (distance) P-C4' energy: -139.660
flat angles C4'-P-C4' energy: -170.914
flat angles P-C4'-P energy: -111.028
tors. eta vs tors. theta energy: -210.927
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: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2366.280334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.280334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.852533 (E_RNA)
where:
Base-Base interactions energy: -1651.506
where: short stacking energy: -649.564
Base-Backbone interact. energy: -1.601
local terms energy: -715.746076
where:
bonds (distance) C4'-P energy: -139.791
bonds (distance) P-C4' energy: -134.307
flat angles C4'-P-C4' energy: -165.431
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -181.917
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2224.373919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.373919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.934990 (E_RNA)
where:
Base-Base interactions energy: -1520.607
where: short stacking energy: -655.252
Base-Backbone interact. energy: 3.757
local terms energy: -710.085155
where:
bonds (distance) C4'-P energy: -123.328
bonds (distance) P-C4' energy: -138.155
flat angles C4'-P-C4' energy: -153.357
flat angles P-C4'-P energy: -107.523
tors. eta vs tors. theta energy: -187.722
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2071.335433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.335433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.648386 (E_RNA)
where:
Base-Base interactions energy: -1395.738
where: short stacking energy: -600.899
Base-Backbone interact. energy: 1.407
local terms energy: -678.316869
where:
bonds (distance) C4'-P energy: -132.736
bonds (distance) P-C4' energy: -145.343
flat angles C4'-P-C4' energy: -146.687
flat angles P-C4'-P energy: -99.239
tors. eta vs tors. theta energy: -154.312
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: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1976.129779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.129779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.544190 (E_RNA)
where:
Base-Base interactions energy: -1319.035
where: short stacking energy: -539.320
Base-Backbone interact. energy: 9.425
local terms energy: -668.934388
where:
bonds (distance) C4'-P energy: -153.685
bonds (distance) P-C4' energy: -136.196
flat angles C4'-P-C4' energy: -135.117
flat angles P-C4'-P energy: -96.450
tors. eta vs tors. theta energy: -147.488
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: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1982.316446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.316446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.859640 (E_RNA)
where:
Base-Base interactions energy: -1339.484
where: short stacking energy: -561.635
Base-Backbone interact. energy: -1.124
local terms energy: -644.251949
where:
bonds (distance) C4'-P energy: -148.890
bonds (distance) P-C4' energy: -100.767
flat angles C4'-P-C4' energy: -135.256
flat angles P-C4'-P energy: -110.012
tors. eta vs tors. theta energy: -149.328
Dist. restrs. and SS energy: 2.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1919.137319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.137319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.257219 (E_RNA)
where:
Base-Base interactions energy: -1301.392
where: short stacking energy: -548.482
Base-Backbone interact. energy: -2.718
local terms energy: -617.147564
where:
bonds (distance) C4'-P energy: -107.424
bonds (distance) P-C4' energy: -117.743
flat angles C4'-P-C4' energy: -163.527
flat angles P-C4'-P energy: -92.488
tors. eta vs tors. theta energy: -135.965
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: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2912.960668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.960668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.330673 (E_RNA)
where:
Base-Base interactions energy: -2048.612
where: short stacking energy: -854.266
Base-Backbone interact. energy: -5.247
local terms energy: -860.471987
where:
bonds (distance) C4'-P energy: -157.152
bonds (distance) P-C4' energy: -159.533
flat angles C4'-P-C4' energy: -185.150
flat angles P-C4'-P energy: -118.538
tors. eta vs tors. theta energy: -240.098
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2811.505978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.505978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.224286 (E_RNA)
where:
Base-Base interactions energy: -1963.599
where: short stacking energy: -807.579
Base-Backbone interact. energy: -0.808
local terms energy: -849.817140
where:
bonds (distance) C4'-P energy: -174.098
bonds (distance) P-C4' energy: -147.388
flat angles C4'-P-C4' energy: -179.623
flat angles P-C4'-P energy: -117.584
tors. eta vs tors. theta energy: -231.124
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2758.877171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.877171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.469948 (E_RNA)
where:
Base-Base interactions energy: -1910.231
where: short stacking energy: -794.104
Base-Backbone interact. energy: 0.725
local terms energy: -850.963497
where:
bonds (distance) C4'-P energy: -167.245
bonds (distance) P-C4' energy: -159.728
flat angles C4'-P-C4' energy: -170.739
flat angles P-C4'-P energy: -120.251
tors. eta vs tors. theta energy: -233.000
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: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2549.661775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.661775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.653033 (E_RNA)
where:
Base-Base interactions energy: -1754.058
where: short stacking energy: -719.147
Base-Backbone interact. energy: -3.693
local terms energy: -793.902131
where:
bonds (distance) C4'-P energy: -134.156
bonds (distance) P-C4' energy: -167.640
flat angles C4'-P-C4' energy: -177.212
flat angles P-C4'-P energy: -109.311
tors. eta vs tors. theta energy: -205.582
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2387.035100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.035100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.169124 (E_RNA)
where:
Base-Base interactions energy: -1648.574
where: short stacking energy: -673.277
Base-Backbone interact. energy: -6.104
local terms energy: -734.491636
where:
bonds (distance) C4'-P energy: -128.688
bonds (distance) P-C4' energy: -153.184
flat angles C4'-P-C4' energy: -168.154
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -182.871
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: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2248.636708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.636708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.175380 (E_RNA)
where:
Base-Base interactions energy: -1508.580
where: short stacking energy: -647.032
Base-Backbone interact. energy: 1.055
local terms energy: -742.649777
where:
bonds (distance) C4'-P energy: -134.141
bonds (distance) P-C4' energy: -160.059
flat angles C4'-P-C4' energy: -166.350
flat angles P-C4'-P energy: -101.817
tors. eta vs tors. theta energy: -180.282
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: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2100.559144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.559144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.046362 (E_RNA)
where:
Base-Base interactions energy: -1425.746
where: short stacking energy: -600.984
Base-Backbone interact. energy: -1.074
local terms energy: -676.226343
where:
bonds (distance) C4'-P energy: -145.125
bonds (distance) P-C4' energy: -129.457
flat angles C4'-P-C4' energy: -148.702
flat angles P-C4'-P energy: -101.520
tors. eta vs tors. theta energy: -151.423
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: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2034.756727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.756727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.618745 (E_RNA)
where:
Base-Base interactions energy: -1377.172
where: short stacking energy: -589.791
Base-Backbone interact. energy: -0.566
local terms energy: -658.879830
where:
bonds (distance) C4'-P energy: -131.475
bonds (distance) P-C4' energy: -122.411
flat angles C4'-P-C4' energy: -164.541
flat angles P-C4'-P energy: -97.567
tors. eta vs tors. theta energy: -142.887
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1998.784815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.784815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.426116 (E_RNA)
where:
Base-Base interactions energy: -1385.489
where: short stacking energy: -585.473
Base-Backbone interact. energy: 5.325
local terms energy: -620.261842
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -129.116
flat angles C4'-P-C4' energy: -138.963
flat angles P-C4'-P energy: -72.077
tors. eta vs tors. theta energy: -160.517
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: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1838.189144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.189144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.404555 (E_RNA)
where:
Base-Base interactions energy: -1250.246
where: short stacking energy: -519.378
Base-Backbone interact. energy: 0.148
local terms energy: -593.306539
where:
bonds (distance) C4'-P energy: -106.432
bonds (distance) P-C4' energy: -130.109
flat angles C4'-P-C4' energy: -144.917
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -139.252
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2927.951445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.345873 (E_RNA)
where:
Base-Base interactions energy: -2044.195
where: short stacking energy: -848.637
Base-Backbone interact. energy: -2.919
local terms energy: -883.231737
where:
bonds (distance) C4'-P energy: -149.648
bonds (distance) P-C4' energy: -170.820
flat angles C4'-P-C4' energy: -182.496
flat angles P-C4'-P energy: -138.210
tors. eta vs tors. theta energy: -242.058
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: 399
Temperature: 0.950000
Total energy: -2831.705134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.705134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.238413 (E_RNA)
where:
Base-Base interactions energy: -1975.331
where: short stacking energy: -811.721
Base-Backbone interact. energy: 2.942
local terms energy: -861.849289
where:
bonds (distance) C4'-P energy: -153.300
bonds (distance) P-C4' energy: -162.017
flat angles C4'-P-C4' energy: -186.006
flat angles P-C4'-P energy: -126.240
tors. eta vs tors. theta energy: -234.288
Dist. restrs. and SS energy: 2.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2704.000165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.000165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.213241 (E_RNA)
where:
Base-Base interactions energy: -1872.973
where: short stacking energy: -790.737
Base-Backbone interact. energy: -0.090
local terms energy: -832.149769
where:
bonds (distance) C4'-P energy: -149.890
bonds (distance) P-C4' energy: -162.733
flat angles C4'-P-C4' energy: -161.900
flat angles P-C4'-P energy: -114.196
tors. eta vs tors. theta energy: -243.431
Dist. restrs. and SS energy: 1.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2585.686181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.686181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.327413 (E_RNA)
where:
Base-Base interactions energy: -1780.569
where: short stacking energy: -720.729
Base-Backbone interact. energy: -0.742
local terms energy: -807.016732
where:
bonds (distance) C4'-P energy: -153.013
bonds (distance) P-C4' energy: -157.047
flat angles C4'-P-C4' energy: -159.802
flat angles P-C4'-P energy: -114.555
tors. eta vs tors. theta energy: -222.600
Dist. restrs. and SS energy: 2.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2383.447665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.447665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.966324 (E_RNA)
where:
Base-Base interactions energy: -1625.788
where: short stacking energy: -684.855
Base-Backbone interact. energy: -2.884
local terms energy: -756.294138
where:
bonds (distance) C4'-P energy: -141.078
bonds (distance) P-C4' energy: -146.971
flat angles C4'-P-C4' energy: -175.402
flat angles P-C4'-P energy: -93.740
tors. eta vs tors. theta energy: -199.102
Dist. restrs. and SS energy: 1.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2214.825519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.825519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.153291 (E_RNA)
where:
Base-Base interactions energy: -1490.113
where: short stacking energy: -612.889
Base-Backbone interact. energy: -3.123
local terms energy: -723.916768
where:
bonds (distance) C4'-P energy: -151.242
bonds (distance) P-C4' energy: -150.958
flat angles C4'-P-C4' energy: -148.323
flat angles P-C4'-P energy: -90.677
tors. eta vs tors. theta energy: -182.715
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: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2073.238255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.238255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.055252 (E_RNA)
where:
Base-Base interactions energy: -1383.913
where: short stacking energy: -608.717
Base-Backbone interact. energy: -3.554
local terms energy: -688.587940
where:
bonds (distance) C4'-P energy: -131.661
bonds (distance) P-C4' energy: -150.946
flat angles C4'-P-C4' energy: -159.428
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -164.911
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: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2016.162315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.162315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.317250 (E_RNA)
where:
Base-Base interactions energy: -1343.684
where: short stacking energy: -583.972
Base-Backbone interact. energy: 1.091
local terms energy: -675.724401
where:
bonds (distance) C4'-P energy: -144.189
bonds (distance) P-C4' energy: -137.978
flat angles C4'-P-C4' energy: -142.227
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -167.316
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1991.125123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.125123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.082365 (E_RNA)
where:
Base-Base interactions energy: -1343.040
where: short stacking energy: -565.971
Base-Backbone interact. energy: 2.765
local terms energy: -652.807472
where:
bonds (distance) C4'-P energy: -124.109
bonds (distance) P-C4' energy: -133.647
flat angles C4'-P-C4' energy: -150.274
flat angles P-C4'-P energy: -90.362
tors. eta vs tors. theta energy: -154.416
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: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1879.085741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.085741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.445785 (E_RNA)
where:
Base-Base interactions energy: -1280.856
where: short stacking energy: -549.111
Base-Backbone interact. energy: 3.411
local terms energy: -605.001341
where:
bonds (distance) C4'-P energy: -108.112
bonds (distance) P-C4' energy: -140.736
flat angles C4'-P-C4' energy: -135.232
flat angles P-C4'-P energy: -69.363
tors. eta vs tors. theta energy: -151.559
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2912.101938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.101938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.000036 (E_RNA)
where:
Base-Base interactions energy: -2047.720
where: short stacking energy: -837.687
Base-Backbone interact. energy: -0.565
local terms energy: -866.715590
where:
bonds (distance) C4'-P energy: -152.402
bonds (distance) P-C4' energy: -153.191
flat angles C4'-P-C4' energy: -187.347
flat angles P-C4'-P energy: -128.933
tors. eta vs tors. theta energy: -244.842
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: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2851.605111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.605111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.061049 (E_RNA)
where:
Base-Base interactions energy: -1988.406
where: short stacking energy: -815.727
Base-Backbone interact. energy: 0.488
local terms energy: -866.143192
where:
bonds (distance) C4'-P energy: -148.764
bonds (distance) P-C4' energy: -162.908
flat angles C4'-P-C4' energy: -173.408
flat angles P-C4'-P energy: -138.925
tors. eta vs tors. theta energy: -242.138
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: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2733.552267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.552267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.863038 (E_RNA)
where:
Base-Base interactions energy: -1878.848
where: short stacking energy: -782.562
Base-Backbone interact. energy: -2.435
local terms energy: -853.579454
where:
bonds (distance) C4'-P energy: -170.988
bonds (distance) P-C4' energy: -153.734
flat angles C4'-P-C4' energy: -180.694
flat angles P-C4'-P energy: -117.914
tors. eta vs tors. theta energy: -230.249
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: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2618.500636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.500636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.018956 (E_RNA)
where:
Base-Base interactions energy: -1831.411
where: short stacking energy: -747.691
Base-Backbone interact. energy: -1.364
local terms energy: -788.244187
where:
bonds (distance) C4'-P energy: -125.032
bonds (distance) P-C4' energy: -154.749
flat angles C4'-P-C4' energy: -168.139
flat angles P-C4'-P energy: -119.303
tors. eta vs tors. theta energy: -221.021
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: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2378.887430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.887430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.076661 (E_RNA)
where:
Base-Base interactions energy: -1613.424
where: short stacking energy: -694.256
Base-Backbone interact. energy: -1.204
local terms energy: -766.449274
where:
bonds (distance) C4'-P energy: -139.497
bonds (distance) P-C4' energy: -152.274
flat angles C4'-P-C4' energy: -170.505
flat angles P-C4'-P energy: -105.740
tors. eta vs tors. theta energy: -198.433
Dist. restrs. and SS energy: 2.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2226.758975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.758975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.931178 (E_RNA)
where:
Base-Base interactions energy: -1504.880
where: short stacking energy: -650.575
Base-Backbone interact. energy: -3.362
local terms energy: -720.688679
where:
bonds (distance) C4'-P energy: -145.824
bonds (distance) P-C4' energy: -130.376
flat angles C4'-P-C4' energy: -163.070
flat angles P-C4'-P energy: -91.264
tors. eta vs tors. theta energy: -190.155
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: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2093.497625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.497625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.994527 (E_RNA)
where:
Base-Base interactions energy: -1439.370
where: short stacking energy: -614.123
Base-Backbone interact. energy: 0.757
local terms energy: -656.381902
where:
bonds (distance) C4'-P energy: -125.200
bonds (distance) P-C4' energy: -142.891
flat angles C4'-P-C4' energy: -150.764
flat angles P-C4'-P energy: -77.805
tors. eta vs tors. theta energy: -159.722
Dist. restrs. and SS energy: 1.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2005.656657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.656657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.752979 (E_RNA)
where:
Base-Base interactions energy: -1392.170
where: short stacking energy: -570.013
Base-Backbone interact. energy: 0.979
local terms energy: -615.561609
where:
bonds (distance) C4'-P energy: -124.097
bonds (distance) P-C4' energy: -139.740
flat angles C4'-P-C4' energy: -126.053
flat angles P-C4'-P energy: -91.666
tors. eta vs tors. theta energy: -134.005
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1974.840942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.840942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.109719 (E_RNA)
where:
Base-Base interactions energy: -1355.117
where: short stacking energy: -553.988
Base-Backbone interact. energy: 0.207
local terms energy: -623.199211
where:
bonds (distance) C4'-P energy: -103.407
bonds (distance) P-C4' energy: -125.353
flat angles C4'-P-C4' energy: -154.676
flat angles P-C4'-P energy: -78.335
tors. eta vs tors. theta energy: -161.428
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: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -1834.821828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.821828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.103129 (E_RNA)
where:
Base-Base interactions energy: -1254.380
where: short stacking energy: -530.286
Base-Backbone interact. energy: 1.704
local terms energy: -584.426903
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -113.614
flat angles C4'-P-C4' energy: -152.646
flat angles P-C4'-P energy: -80.897
tors. eta vs tors. theta energy: -133.800
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: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2952.137987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.137987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.647231 (E_RNA)
where:
Base-Base interactions energy: -2065.927
where: short stacking energy: -860.305
Base-Backbone interact. energy: -1.103
local terms energy: -887.617466
where:
bonds (distance) C4'-P energy: -164.607
bonds (distance) P-C4' energy: -162.979
flat angles C4'-P-C4' energy: -179.489
flat angles P-C4'-P energy: -137.754
tors. eta vs tors. theta energy: -242.789
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: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2826.205474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.205474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.188540 (E_RNA)
where:
Base-Base interactions energy: -1978.338
where: short stacking energy: -825.302
Base-Backbone interact. energy: 2.754
local terms energy: -852.604720
where:
bonds (distance) C4'-P energy: -157.953
bonds (distance) P-C4' energy: -156.890
flat angles C4'-P-C4' energy: -165.835
flat angles P-C4'-P energy: -127.488
tors. eta vs tors. theta energy: -244.438
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: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2724.749390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.742070 (E_RNA)
where:
Base-Base interactions energy: -1902.497
where: short stacking energy: -804.557
Base-Backbone interact. energy: 1.593
local terms energy: -825.838639
where:
bonds (distance) C4'-P energy: -151.087
bonds (distance) P-C4' energy: -158.830
flat angles C4'-P-C4' energy: -182.440
flat angles P-C4'-P energy: -102.495
tors. eta vs tors. theta energy: -230.987
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: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2550.106819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.106819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.905042 (E_RNA)
where:
Base-Base interactions energy: -1762.610
where: short stacking energy: -730.351
Base-Backbone interact. energy: -2.265
local terms energy: -788.029923
where:
bonds (distance) C4'-P energy: -129.224
bonds (distance) P-C4' energy: -151.314
flat angles C4'-P-C4' energy: -173.429
flat angles P-C4'-P energy: -110.770
tors. eta vs tors. theta energy: -223.294
Dist. restrs. and SS energy: 2.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2407.260148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.260148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.612570 (E_RNA)
where:
Base-Base interactions energy: -1621.516
where: short stacking energy: -712.203
Base-Backbone interact. energy: 2.115
local terms energy: -789.211373
where:
bonds (distance) C4'-P energy: -136.137
bonds (distance) P-C4' energy: -149.604
flat angles C4'-P-C4' energy: -172.526
flat angles P-C4'-P energy: -122.374
tors. eta vs tors. theta energy: -208.570
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: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2273.453357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.453357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.076987 (E_RNA)
where:
Base-Base interactions energy: -1544.373
where: short stacking energy: -657.096
Base-Backbone interact. energy: -2.046
local terms energy: -729.658269
where:
bonds (distance) C4'-P energy: -151.042
bonds (distance) P-C4' energy: -118.415
flat angles C4'-P-C4' energy: -158.304
flat angles P-C4'-P energy: -111.631
tors. eta vs tors. theta energy: -190.267
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: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2114.116035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.116035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.170229 (E_RNA)
where:
Base-Base interactions energy: -1448.398
where: short stacking energy: -605.877
Base-Backbone interact. energy: -3.548
local terms energy: -664.224595
where:
bonds (distance) C4'-P energy: -108.392
bonds (distance) P-C4' energy: -125.875
flat angles C4'-P-C4' energy: -151.479
flat angles P-C4'-P energy: -97.768
tors. eta vs tors. theta energy: -180.711
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: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2067.730279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.730279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.157250 (E_RNA)
where:
Base-Base interactions energy: -1392.783
where: short stacking energy: -587.219
Base-Backbone interact. energy: 0.206
local terms energy: -677.580681
where:
bonds (distance) C4'-P energy: -145.080
bonds (distance) P-C4' energy: -138.736
flat angles C4'-P-C4' energy: -142.634
flat angles P-C4'-P energy: -102.663
tors. eta vs tors. theta energy: -148.468
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1998.664377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.664377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.556913 (E_RNA)
where:
Base-Base interactions energy: -1376.951
where: short stacking energy: -576.298
Base-Backbone interact. energy: 2.178
local terms energy: -626.784288
where:
bonds (distance) C4'-P energy: -115.399
bonds (distance) P-C4' energy: -128.680
flat angles C4'-P-C4' energy: -125.792
flat angles P-C4'-P energy: -97.740
tors. eta vs tors. theta energy: -159.173
Dist. restrs. and SS energy: 2.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1892.056329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.056329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.900874 (E_RNA)
where:
Base-Base interactions energy: -1324.570
where: short stacking energy: -525.132
Base-Backbone interact. energy: 6.093
local terms energy: -576.423715
where:
bonds (distance) C4'-P energy: -136.873
bonds (distance) P-C4' energy: -88.889
flat angles C4'-P-C4' energy: -141.397
flat angles P-C4'-P energy: -91.471
tors. eta vs tors. theta energy: -117.794
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2948.315770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.315770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.576738 (E_RNA)
where:
Base-Base interactions energy: -2092.116
where: short stacking energy: -828.287
Base-Backbone interact. energy: -2.048
local terms energy: -855.412703
where:
bonds (distance) C4'-P energy: -145.735
bonds (distance) P-C4' energy: -158.199
flat angles C4'-P-C4' energy: -183.573
flat angles P-C4'-P energy: -127.548
tors. eta vs tors. theta energy: -240.357
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: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2799.283508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.283508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.946238 (E_RNA)
where:
Base-Base interactions energy: -1959.993
where: short stacking energy: -802.591
Base-Backbone interact. energy: -2.273
local terms energy: -839.679952
where:
bonds (distance) C4'-P energy: -159.331
bonds (distance) P-C4' energy: -154.027
flat angles C4'-P-C4' energy: -172.632
flat angles P-C4'-P energy: -118.961
tors. eta vs tors. theta energy: -234.729
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: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2702.785320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.785320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.821258 (E_RNA)
where:
Base-Base interactions energy: -1883.403
where: short stacking energy: -779.201
Base-Backbone interact. energy: -2.527
local terms energy: -817.892034
where:
bonds (distance) C4'-P energy: -157.656
bonds (distance) P-C4' energy: -159.956
flat angles C4'-P-C4' energy: -185.641
flat angles P-C4'-P energy: -101.340
tors. eta vs tors. theta energy: -213.298
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: 402
Temperature: 1.050000
Total energy: -2575.089297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.089297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.221703 (E_RNA)
where:
Base-Base interactions energy: -1751.807
where: short stacking energy: -742.423
Base-Backbone interact. energy: -2.760
local terms energy: -822.654600
where:
bonds (distance) C4'-P energy: -150.396
bonds (distance) P-C4' energy: -160.204
flat angles C4'-P-C4' energy: -172.137
flat angles P-C4'-P energy: -120.029
tors. eta vs tors. theta energy: -219.889
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2357.180886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.180886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.389352 (E_RNA)
where:
Base-Base interactions energy: -1618.359
where: short stacking energy: -702.015
Base-Backbone interact. energy: -4.407
local terms energy: -736.623034
where:
bonds (distance) C4'-P energy: -134.265
bonds (distance) P-C4' energy: -139.943
flat angles C4'-P-C4' energy: -162.719
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -191.641
Dist. restrs. and SS energy: 2.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2266.468455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.468455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.701700 (E_RNA)
where:
Base-Base interactions energy: -1535.814
where: short stacking energy: -665.864
Base-Backbone interact. energy: -4.464
local terms energy: -728.423689
where:
bonds (distance) C4'-P energy: -133.431
bonds (distance) P-C4' energy: -141.343
flat angles C4'-P-C4' energy: -182.761
flat angles P-C4'-P energy: -95.773
tors. eta vs tors. theta energy: -175.115
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2055.685077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.685077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.238135 (E_RNA)
where:
Base-Base interactions energy: -1393.464
where: short stacking energy: -589.756
Base-Backbone interact. energy: -3.229
local terms energy: -662.544809
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -147.601
flat angles P-C4'-P energy: -95.429
tors. eta vs tors. theta energy: -155.478
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2080.438782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.438782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.651666 (E_RNA)
where:
Base-Base interactions energy: -1431.790
where: short stacking energy: -620.112
Base-Backbone interact. energy: 7.098
local terms energy: -659.959165
where:
bonds (distance) C4'-P energy: -135.575
bonds (distance) P-C4' energy: -114.592
flat angles C4'-P-C4' energy: -159.152
flat angles P-C4'-P energy: -99.487
tors. eta vs tors. theta energy: -151.154
Dist. restrs. and SS energy: 4.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1939.471849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.471849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.508625 (E_RNA)
where:
Base-Base interactions energy: -1315.410
where: short stacking energy: -546.660
Base-Backbone interact. energy: -0.691
local terms energy: -625.407908
where:
bonds (distance) C4'-P energy: -129.193
bonds (distance) P-C4' energy: -130.360
flat angles C4'-P-C4' energy: -144.701
flat angles P-C4'-P energy: -85.486
tors. eta vs tors. theta energy: -135.668
Dist. restrs. and SS energy: 2.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1875.943641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.943641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.920227 (E_RNA)
where:
Base-Base interactions energy: -1278.516
where: short stacking energy: -543.872
Base-Backbone interact. energy: 3.751
local terms energy: -606.154612
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -122.309
flat angles C4'-P-C4' energy: -150.561
flat angles P-C4'-P energy: -74.226
tors. eta vs tors. theta energy: -135.368
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2970.188679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2970.188679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.265516 (E_RNA)
where:
Base-Base interactions energy: -2096.225
where: short stacking energy: -878.969
Base-Backbone interact. energy: -1.576
local terms energy: -875.464573
where:
bonds (distance) C4'-P energy: -152.844
bonds (distance) P-C4' energy: -163.331
flat angles C4'-P-C4' energy: -186.895
flat angles P-C4'-P energy: -123.805
tors. eta vs tors. theta energy: -248.590
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: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2818.928445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.928445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.626107 (E_RNA)
where:
Base-Base interactions energy: -1967.820
where: short stacking energy: -810.980
Base-Backbone interact. energy: -1.264
local terms energy: -852.541595
where:
bonds (distance) C4'-P energy: -153.882
bonds (distance) P-C4' energy: -147.274
flat angles C4'-P-C4' energy: -185.213
flat angles P-C4'-P energy: -125.517
tors. eta vs tors. theta energy: -240.655
Dist. restrs. and SS energy: 2.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2747.591293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.591293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.793471 (E_RNA)
where:
Base-Base interactions energy: -1918.638
where: short stacking energy: -820.229
Base-Backbone interact. energy: -0.059
local terms energy: -830.096709
where:
bonds (distance) C4'-P energy: -147.195
bonds (distance) P-C4' energy: -148.319
flat angles C4'-P-C4' energy: -184.371
flat angles P-C4'-P energy: -107.994
tors. eta vs tors. theta energy: -242.217
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2593.896670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.896670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.861761 (E_RNA)
where:
Base-Base interactions energy: -1775.487
where: short stacking energy: -749.202
Base-Backbone interact. energy: 0.042
local terms energy: -820.415978
where:
bonds (distance) C4'-P energy: -139.444
bonds (distance) P-C4' energy: -157.805
flat angles C4'-P-C4' energy: -178.838
flat angles P-C4'-P energy: -122.760
tors. eta vs tors. theta energy: -221.569
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2390.342100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.342100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.420115 (E_RNA)
where:
Base-Base interactions energy: -1633.539
where: short stacking energy: -709.360
Base-Backbone interact. energy: -3.476
local terms energy: -757.404402
where:
bonds (distance) C4'-P energy: -145.004
bonds (distance) P-C4' energy: -145.535
flat angles C4'-P-C4' energy: -155.038
flat angles P-C4'-P energy: -117.726
tors. eta vs tors. theta energy: -194.101
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: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2246.566605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.566605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.703309 (E_RNA)
where:
Base-Base interactions energy: -1507.821
where: short stacking energy: -643.623
Base-Backbone interact. energy: 1.069
local terms energy: -741.951774
where:
bonds (distance) C4'-P energy: -141.072
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -168.310
flat angles P-C4'-P energy: -107.935
tors. eta vs tors. theta energy: -179.518
Dist. restrs. and SS energy: 2.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2087.188836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.188836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.528896 (E_RNA)
where:
Base-Base interactions energy: -1427.119
where: short stacking energy: -612.320
Base-Backbone interact. energy: -1.672
local terms energy: -662.738265
where:
bonds (distance) C4'-P energy: -121.694
bonds (distance) P-C4' energy: -121.710
flat angles C4'-P-C4' energy: -160.486
flat angles P-C4'-P energy: -102.115
tors. eta vs tors. theta energy: -156.733
Dist. restrs. and SS energy: 4.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2089.119739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.119739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.416050 (E_RNA)
where:
Base-Base interactions energy: -1393.396
where: short stacking energy: -606.474
Base-Backbone interact. energy: 2.237
local terms energy: -699.257137
where:
bonds (distance) C4'-P energy: -129.417
bonds (distance) P-C4' energy: -144.566
flat angles C4'-P-C4' energy: -173.022
flat angles P-C4'-P energy: -94.332
tors. eta vs tors. theta energy: -157.920
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: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1938.582360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.582360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.781486 (E_RNA)
where:
Base-Base interactions energy: -1318.013
where: short stacking energy: -543.096
Base-Backbone interact. energy: 0.502
local terms energy: -623.270707
where:
bonds (distance) C4'-P energy: -142.196
bonds (distance) P-C4' energy: -141.730
flat angles C4'-P-C4' energy: -135.695
flat angles P-C4'-P energy: -75.632
tors. eta vs tors. theta energy: -128.017
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1861.563326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.563326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.720591 (E_RNA)
where:
Base-Base interactions energy: -1293.881
where: short stacking energy: -509.806
Base-Backbone interact. energy: -0.125
local terms energy: -569.714189
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -124.514
flat angles C4'-P-C4' energy: -132.116
flat angles P-C4'-P energy: -75.012
tors. eta vs tors. theta energy: -117.580
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: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2957.370004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.370004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2958.945597 (E_RNA)
where:
Base-Base interactions energy: -2087.234
where: short stacking energy: -839.097
Base-Backbone interact. energy: -1.396
local terms energy: -870.316465
where:
bonds (distance) C4'-P energy: -160.557
bonds (distance) P-C4' energy: -163.793
flat angles C4'-P-C4' energy: -184.503
flat angles P-C4'-P energy: -124.696
tors. eta vs tors. theta energy: -236.769
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: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2813.459527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.459527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.400698 (E_RNA)
where:
Base-Base interactions energy: -1944.180
where: short stacking energy: -776.212
Base-Backbone interact. energy: -4.231
local terms energy: -866.989960
where:
bonds (distance) C4'-P energy: -158.715
bonds (distance) P-C4' energy: -150.377
flat angles C4'-P-C4' energy: -182.566
flat angles P-C4'-P energy: -129.967
tors. eta vs tors. theta energy: -245.364
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2736.227180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.227180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.948841 (E_RNA)
where:
Base-Base interactions energy: -1906.268
where: short stacking energy: -803.750
Base-Backbone interact. energy: 2.295
local terms energy: -833.975862
where:
bonds (distance) C4'-P energy: -152.831
bonds (distance) P-C4' energy: -150.927
flat angles C4'-P-C4' energy: -191.078
flat angles P-C4'-P energy: -108.456
tors. eta vs tors. theta energy: -230.684
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: 404
Temperature: 1.050000
Total energy: -2572.478586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.478586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.788234 (E_RNA)
where:
Base-Base interactions energy: -1786.953
where: short stacking energy: -743.503
Base-Backbone interact. energy: -2.331
local terms energy: -786.503990
where:
bonds (distance) C4'-P energy: -131.114
bonds (distance) P-C4' energy: -138.248
flat angles C4'-P-C4' energy: -176.969
flat angles P-C4'-P energy: -116.033
tors. eta vs tors. theta energy: -224.139
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2366.403226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.403226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.733438 (E_RNA)
where:
Base-Base interactions energy: -1603.204
where: short stacking energy: -690.847
Base-Backbone interact. energy: -3.743
local terms energy: -763.786661
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -163.425
flat angles C4'-P-C4' energy: -161.071
flat angles P-C4'-P energy: -114.044
tors. eta vs tors. theta energy: -193.323
Dist. restrs. and SS energy: 4.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2216.967810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.967810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.557022 (E_RNA)
where:
Base-Base interactions energy: -1541.975
where: short stacking energy: -677.360
Base-Backbone interact. energy: -2.182
local terms energy: -675.400117
where:
bonds (distance) C4'-P energy: -135.648
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -89.032
tors. eta vs tors. theta energy: -174.752
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2076.183576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.183576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.852424 (E_RNA)
where:
Base-Base interactions energy: -1391.308
where: short stacking energy: -600.400
Base-Backbone interact. energy: -3.008
local terms energy: -683.535823
where:
bonds (distance) C4'-P energy: -140.449
bonds (distance) P-C4' energy: -146.756
flat angles C4'-P-C4' energy: -136.972
flat angles P-C4'-P energy: -110.310
tors. eta vs tors. theta energy: -149.050
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2037.885758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.885758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.452341 (E_RNA)
where:
Base-Base interactions energy: -1359.551
where: short stacking energy: -598.466
Base-Backbone interact. energy: -3.253
local terms energy: -677.648525
where:
bonds (distance) C4'-P energy: -144.276
bonds (distance) P-C4' energy: -136.051
flat angles C4'-P-C4' energy: -148.667
flat angles P-C4'-P energy: -78.609
tors. eta vs tors. theta energy: -170.045
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: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1983.870901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.870901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.909996 (E_RNA)
where:
Base-Base interactions energy: -1350.422
where: short stacking energy: -578.037
Base-Backbone interact. energy: 1.944
local terms energy: -639.431937
where:
bonds (distance) C4'-P energy: -126.024
bonds (distance) P-C4' energy: -127.916
flat angles C4'-P-C4' energy: -148.607
flat angles P-C4'-P energy: -78.339
tors. eta vs tors. theta energy: -158.546
Dist. restrs. and SS energy: 4.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -1877.458211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.458211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.960273 (E_RNA)
where:
Base-Base interactions energy: -1264.088
where: short stacking energy: -534.848
Base-Backbone interact. energy: 1.334
local terms energy: -618.206190
where:
bonds (distance) C4'-P energy: -129.914
bonds (distance) P-C4' energy: -118.640
flat angles C4'-P-C4' energy: -138.829
flat angles P-C4'-P energy: -89.496
tors. eta vs tors. theta energy: -141.327
Dist. restrs. and SS energy: 3.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2977.447838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.447838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.925672 (E_RNA)
where:
Base-Base interactions energy: -2084.248
where: short stacking energy: -846.092
Base-Backbone interact. energy: -1.954
local terms energy: -893.723329
where:
bonds (distance) C4'-P energy: -161.263
bonds (distance) P-C4' energy: -166.106
flat angles C4'-P-C4' energy: -189.660
flat angles P-C4'-P energy: -128.973
tors. eta vs tors. theta energy: -247.721
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: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2829.241333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.241333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.501437 (E_RNA)
where:
Base-Base interactions energy: -1970.128
where: short stacking energy: -811.582
Base-Backbone interact. energy: -4.605
local terms energy: -855.768236
where:
bonds (distance) C4'-P energy: -160.368
bonds (distance) P-C4' energy: -153.456
flat angles C4'-P-C4' energy: -175.977
flat angles P-C4'-P energy: -128.528
tors. eta vs tors. theta energy: -237.440
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: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2748.636988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.636988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.156956 (E_RNA)
where:
Base-Base interactions energy: -1896.052
where: short stacking energy: -785.602
Base-Backbone interact. energy: 0.385
local terms energy: -854.490029
where:
bonds (distance) C4'-P energy: -143.964
bonds (distance) P-C4' energy: -163.353
flat angles C4'-P-C4' energy: -184.867
flat angles P-C4'-P energy: -130.266
tors. eta vs tors. theta energy: -232.040
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: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2598.242631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.242631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.948170 (E_RNA)
where:
Base-Base interactions energy: -1810.717
where: short stacking energy: -750.771
Base-Backbone interact. energy: -1.735
local terms energy: -788.496061
where:
bonds (distance) C4'-P energy: -153.430
bonds (distance) P-C4' energy: -136.748
flat angles C4'-P-C4' energy: -168.337
flat angles P-C4'-P energy: -123.358
tors. eta vs tors. theta energy: -206.623
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2503.852182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.852182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.584423 (E_RNA)
where:
Base-Base interactions energy: -1684.661
where: short stacking energy: -749.364
Base-Backbone interact. energy: -3.787
local terms energy: -818.135787
where:
bonds (distance) C4'-P energy: -139.401
bonds (distance) P-C4' energy: -156.108
flat angles C4'-P-C4' energy: -183.120
flat angles P-C4'-P energy: -118.110
tors. eta vs tors. theta energy: -221.397
Dist. restrs. and SS energy: 2.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2207.387333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.387333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.787040 (E_RNA)
where:
Base-Base interactions energy: -1491.981
where: short stacking energy: -642.443
Base-Backbone interact. energy: -1.240
local terms energy: -715.565697
where:
bonds (distance) C4'-P energy: -129.029
bonds (distance) P-C4' energy: -157.330
flat angles C4'-P-C4' energy: -171.937
flat angles P-C4'-P energy: -88.182
tors. eta vs tors. theta energy: -169.088
Dist. restrs. and SS energy: 1.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2093.826545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.826545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.762098 (E_RNA)
where:
Base-Base interactions energy: -1404.556
where: short stacking energy: -607.620
Base-Backbone interact. energy: -0.083
local terms energy: -691.123852
where:
bonds (distance) C4'-P energy: -129.524
bonds (distance) P-C4' energy: -142.387
flat angles C4'-P-C4' energy: -150.122
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -162.780
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: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2053.126976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.126976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.334480 (E_RNA)
where:
Base-Base interactions energy: -1377.734
where: short stacking energy: -583.366
Base-Backbone interact. energy: 1.772
local terms energy: -680.372933
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -143.487
flat angles C4'-P-C4' energy: -151.292
flat angles P-C4'-P energy: -94.136
tors. eta vs tors. theta energy: -164.623
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: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1958.235668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.235668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.831352 (E_RNA)
where:
Base-Base interactions energy: -1309.140
where: short stacking energy: -563.141
Base-Backbone interact. energy: 0.945
local terms energy: -653.636636
where:
bonds (distance) C4'-P energy: -138.370
bonds (distance) P-C4' energy: -132.885
flat angles C4'-P-C4' energy: -136.654
flat angles P-C4'-P energy: -96.007
tors. eta vs tors. theta energy: -149.720
Dist. restrs. and SS energy: 3.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -1929.106009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.106009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.564842 (E_RNA)
where:
Base-Base interactions energy: -1298.920
where: short stacking energy: -556.415
Base-Backbone interact. energy: 0.204
local terms energy: -632.848399
where:
bonds (distance) C4'-P energy: -104.696
bonds (distance) P-C4' energy: -126.108
flat angles C4'-P-C4' energy: -151.146
flat angles P-C4'-P energy: -89.957
tors. eta vs tors. theta energy: -160.942
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: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2916.052931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.052931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.595678 (E_RNA)
where:
Base-Base interactions energy: -2061.460
where: short stacking energy: -859.461
Base-Backbone interact. energy: -3.460
local terms energy: -853.675408
where:
bonds (distance) C4'-P energy: -139.500
bonds (distance) P-C4' energy: -151.780
flat angles C4'-P-C4' energy: -193.766
flat angles P-C4'-P energy: -128.129
tors. eta vs tors. theta energy: -240.500
Dist. restrs. and SS energy: 2.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2877.245968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.245968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.608167 (E_RNA)
where:
Base-Base interactions energy: -2006.180
where: short stacking energy: -827.157
Base-Backbone interact. energy: -1.564
local terms energy: -870.864011
where:
bonds (distance) C4'-P energy: -156.903
bonds (distance) P-C4' energy: -151.404
flat angles C4'-P-C4' energy: -189.528
flat angles P-C4'-P energy: -124.338
tors. eta vs tors. theta energy: -248.691
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: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2725.935772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.935772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.757149 (E_RNA)
where:
Base-Base interactions energy: -1887.534
where: short stacking energy: -791.215
Base-Backbone interact. energy: -1.830
local terms energy: -838.392577
where:
bonds (distance) C4'-P energy: -164.232
bonds (distance) P-C4' energy: -149.171
flat angles C4'-P-C4' energy: -179.375
flat angles P-C4'-P energy: -113.928
tors. eta vs tors. theta energy: -231.686
Dist. restrs. and SS energy: 1.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2571.197274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.197274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.585520 (E_RNA)
where:
Base-Base interactions energy: -1759.084
where: short stacking energy: -768.503
Base-Backbone interact. energy: -3.105
local terms energy: -810.396583
where:
bonds (distance) C4'-P energy: -147.402
bonds (distance) P-C4' energy: -155.883
flat angles C4'-P-C4' energy: -188.977
flat angles P-C4'-P energy: -100.005
tors. eta vs tors. theta energy: -218.129
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2427.137640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.137640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.011369 (E_RNA)
where:
Base-Base interactions energy: -1659.216
where: short stacking energy: -695.758
Base-Backbone interact. energy: -4.554
local terms energy: -765.242001
where:
bonds (distance) C4'-P energy: -150.288
bonds (distance) P-C4' energy: -137.498
flat angles C4'-P-C4' energy: -170.448
flat angles P-C4'-P energy: -98.364
tors. eta vs tors. theta energy: -208.643
Dist. restrs. and SS energy: 1.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2188.026963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.026963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.533089 (E_RNA)
where:
Base-Base interactions energy: -1473.523
where: short stacking energy: -630.810
Base-Backbone interact. energy: -3.451
local terms energy: -713.559356
where:
bonds (distance) C4'-P energy: -138.821
bonds (distance) P-C4' energy: -164.077
flat angles C4'-P-C4' energy: -157.753
flat angles P-C4'-P energy: -100.161
tors. eta vs tors. theta energy: -152.747
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2069.722168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.722168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.680041 (E_RNA)
where:
Base-Base interactions energy: -1392.707
where: short stacking energy: -596.746
Base-Backbone interact. energy: -1.383
local terms energy: -678.589478
where:
bonds (distance) C4'-P energy: -144.945
bonds (distance) P-C4' energy: -135.588
flat angles C4'-P-C4' energy: -155.456
flat angles P-C4'-P energy: -106.148
tors. eta vs tors. theta energy: -136.452
Dist. restrs. and SS energy: 2.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2054.294671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.294671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.327371 (E_RNA)
where:
Base-Base interactions energy: -1403.863
where: short stacking energy: -604.088
Base-Backbone interact. energy: -3.763
local terms energy: -648.701617
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -147.408
flat angles C4'-P-C4' energy: -151.222
flat angles P-C4'-P energy: -95.050
tors. eta vs tors. theta energy: -149.223
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: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1938.736837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.736837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.255508 (E_RNA)
where:
Base-Base interactions energy: -1307.793
where: short stacking energy: -551.495
Base-Backbone interact. energy: -0.767
local terms energy: -632.695002
where:
bonds (distance) C4'-P energy: -122.142
bonds (distance) P-C4' energy: -142.009
flat angles C4'-P-C4' energy: -144.101
flat angles P-C4'-P energy: -82.020
tors. eta vs tors. theta energy: -142.423
Dist. restrs. and SS energy: 2.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -1840.040528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.040528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.783505 (E_RNA)
where:
Base-Base interactions energy: -1267.172
where: short stacking energy: -490.560
Base-Backbone interact. energy: -0.592
local terms energy: -575.019489
where:
bonds (distance) C4'-P energy: -129.319
bonds (distance) P-C4' energy: -126.585
flat angles C4'-P-C4' energy: -126.238
flat angles P-C4'-P energy: -85.257
tors. eta vs tors. theta energy: -107.621
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: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2918.857554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.857554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.989504 (E_RNA)
where:
Base-Base interactions energy: -2054.391
where: short stacking energy: -835.765
Base-Backbone interact. energy: -4.039
local terms energy: -862.559729
where:
bonds (distance) C4'-P energy: -148.944
bonds (distance) P-C4' energy: -163.752
flat angles C4'-P-C4' energy: -189.860
flat angles P-C4'-P energy: -114.627
tors. eta vs tors. theta energy: -245.377
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: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2837.537338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.537338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.832230 (E_RNA)
where:
Base-Base interactions energy: -1964.309
where: short stacking energy: -825.024
Base-Backbone interact. energy: -4.394
local terms energy: -870.128996
where:
bonds (distance) C4'-P energy: -170.913
bonds (distance) P-C4' energy: -164.574
flat angles C4'-P-C4' energy: -167.238
flat angles P-C4'-P energy: -124.157
tors. eta vs tors. theta energy: -243.248
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2721.026241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.026241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.880900 (E_RNA)
where:
Base-Base interactions energy: -1883.763
where: short stacking energy: -775.071
Base-Backbone interact. energy: -1.954
local terms energy: -836.164459
where:
bonds (distance) C4'-P energy: -165.518
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -168.288
flat angles P-C4'-P energy: -117.751
tors. eta vs tors. theta energy: -229.029
Dist. restrs. and SS energy: 0.855 (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: 407
Temperature: 1.050000
Total energy: -2537.228772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.228772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.615417 (E_RNA)
where:
Base-Base interactions energy: -1750.870
where: short stacking energy: -727.609
Base-Backbone interact. energy: -2.410
local terms energy: -785.336052
where:
bonds (distance) C4'-P energy: -144.492
bonds (distance) P-C4' energy: -149.838
flat angles C4'-P-C4' energy: -170.747
flat angles P-C4'-P energy: -107.463
tors. eta vs tors. theta energy: -212.795
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2410.957782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.957782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.827289 (E_RNA)
where:
Base-Base interactions energy: -1636.489
where: short stacking energy: -691.271
Base-Backbone interact. energy: -7.635
local terms energy: -768.703851
where:
bonds (distance) C4'-P energy: -142.807
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -174.543
flat angles P-C4'-P energy: -101.658
tors. eta vs tors. theta energy: -203.003
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2208.323737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.323737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.746148 (E_RNA)
where:
Base-Base interactions energy: -1531.723
where: short stacking energy: -650.346
Base-Backbone interact. energy: -2.435
local terms energy: -675.588862
where:
bonds (distance) C4'-P energy: -124.977
bonds (distance) P-C4' energy: -131.940
flat angles C4'-P-C4' energy: -163.716
flat angles P-C4'-P energy: -93.793
tors. eta vs tors. theta energy: -161.163
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: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2099.175642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.175642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.887161 (E_RNA)
where:
Base-Base interactions energy: -1409.779
where: short stacking energy: -618.193
Base-Backbone interact. energy: -3.363
local terms energy: -688.744544
where:
bonds (distance) C4'-P energy: -136.213
bonds (distance) P-C4' energy: -156.431
flat angles C4'-P-C4' energy: -131.009
flat angles P-C4'-P energy: -112.479
tors. eta vs tors. theta energy: -152.613
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2039.100483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.100483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.494426 (E_RNA)
where:
Base-Base interactions energy: -1358.456
where: short stacking energy: -566.182
Base-Backbone interact. energy: 3.344
local terms energy: -686.382114
where:
bonds (distance) C4'-P energy: -138.866
bonds (distance) P-C4' energy: -132.920
flat angles C4'-P-C4' energy: -161.929
flat angles P-C4'-P energy: -102.865
tors. eta vs tors. theta energy: -149.802
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: 407
Temperature: 1.300000
Total energy: -1946.687310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.687310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.851380 (E_RNA)
where:
Base-Base interactions energy: -1300.085
where: short stacking energy: -546.202
Base-Backbone interact. energy: -0.796
local terms energy: -648.970454
where:
bonds (distance) C4'-P energy: -127.707
bonds (distance) P-C4' energy: -146.122
flat angles C4'-P-C4' energy: -158.972
flat angles P-C4'-P energy: -75.435
tors. eta vs tors. theta energy: -140.735
Dist. restrs. and SS energy: 3.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -1873.238106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.238106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.720526 (E_RNA)
where:
Base-Base interactions energy: -1276.119
where: short stacking energy: -513.274
Base-Backbone interact. energy: -2.952
local terms energy: -597.649631
where:
bonds (distance) C4'-P energy: -103.775
bonds (distance) P-C4' energy: -145.101
flat angles C4'-P-C4' energy: -116.189
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -129.280
Dist. restrs. and SS energy: 3.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2923.982515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.982515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.327336 (E_RNA)
where:
Base-Base interactions energy: -2031.105
where: short stacking energy: -837.297
Base-Backbone interact. energy: -0.433
local terms energy: -893.788750
where:
bonds (distance) C4'-P energy: -162.046
bonds (distance) P-C4' energy: -176.568
flat angles C4'-P-C4' energy: -187.873
flat angles P-C4'-P energy: -132.001
tors. eta vs tors. theta energy: -235.302
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2836.461507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.461507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.660664 (E_RNA)
where:
Base-Base interactions energy: -1974.275
where: short stacking energy: -815.002
Base-Backbone interact. energy: -5.935
local terms energy: -857.450552
where:
bonds (distance) C4'-P energy: -150.660
bonds (distance) P-C4' energy: -149.293
flat angles C4'-P-C4' energy: -190.509
flat angles P-C4'-P energy: -122.686
tors. eta vs tors. theta energy: -244.303
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: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2722.932646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.932646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.603120 (E_RNA)
where:
Base-Base interactions energy: -1911.142
where: short stacking energy: -816.540
Base-Backbone interact. energy: 3.475
local terms energy: -816.936450
where:
bonds (distance) C4'-P energy: -149.222
bonds (distance) P-C4' energy: -147.065
flat angles C4'-P-C4' energy: -164.923
flat angles P-C4'-P energy: -119.035
tors. eta vs tors. theta energy: -236.691
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2530.600336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.600336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.041523 (E_RNA)
where:
Base-Base interactions energy: -1747.858
where: short stacking energy: -752.211
Base-Backbone interact. energy: -1.214
local terms energy: -782.969090
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -155.288
flat angles C4'-P-C4' energy: -159.245
flat angles P-C4'-P energy: -113.484
tors. eta vs tors. theta energy: -214.888
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: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2418.495790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.495790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.617753 (E_RNA)
where:
Base-Base interactions energy: -1674.898
where: short stacking energy: -705.108
Base-Backbone interact. energy: -3.745
local terms energy: -741.975040
where:
bonds (distance) C4'-P energy: -149.329
bonds (distance) P-C4' energy: -148.704
flat angles C4'-P-C4' energy: -165.307
flat angles P-C4'-P energy: -88.333
tors. eta vs tors. theta energy: -190.301
Dist. restrs. and SS energy: 2.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2216.009120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.009120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.843368 (E_RNA)
where:
Base-Base interactions energy: -1497.153
where: short stacking energy: -647.705
Base-Backbone interact. energy: -2.512
local terms energy: -718.178208
where:
bonds (distance) C4'-P energy: -132.507
bonds (distance) P-C4' energy: -138.836
flat angles C4'-P-C4' energy: -162.824
flat angles P-C4'-P energy: -103.602
tors. eta vs tors. theta energy: -180.410
Dist. restrs. and SS energy: 1.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2131.204957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.204957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.221889 (E_RNA)
where:
Base-Base interactions energy: -1451.158
where: short stacking energy: -616.692
Base-Backbone interact. energy: -0.537
local terms energy: -681.526833
where:
bonds (distance) C4'-P energy: -132.438
bonds (distance) P-C4' energy: -122.558
flat angles C4'-P-C4' energy: -155.223
flat angles P-C4'-P energy: -104.734
tors. eta vs tors. theta energy: -166.575
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2039.441142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.441142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.116763 (E_RNA)
where:
Base-Base interactions energy: -1364.370
where: short stacking energy: -580.851
Base-Backbone interact. energy: -0.713
local terms energy: -677.033920
where:
bonds (distance) C4'-P energy: -122.066
bonds (distance) P-C4' energy: -150.472
flat angles C4'-P-C4' energy: -149.187
flat angles P-C4'-P energy: -100.240
tors. eta vs tors. theta energy: -155.068
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: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1925.491419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.491419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.355391 (E_RNA)
where:
Base-Base interactions energy: -1307.360
where: short stacking energy: -566.275
Base-Backbone interact. energy: -0.385
local terms energy: -620.609755
where:
bonds (distance) C4'-P energy: -125.775
bonds (distance) P-C4' energy: -126.306
flat angles C4'-P-C4' energy: -140.200
flat angles P-C4'-P energy: -93.815
tors. eta vs tors. theta energy: -134.514
Dist. restrs. and SS energy: 2.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1872.341746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.341746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.269157 (E_RNA)
where:
Base-Base interactions energy: -1244.899
where: short stacking energy: -529.984
Base-Backbone interact. energy: 0.017
local terms energy: -630.387908
where:
bonds (distance) C4'-P energy: -132.627
bonds (distance) P-C4' energy: -140.996
flat angles C4'-P-C4' energy: -117.982
flat angles P-C4'-P energy: -106.977
tors. eta vs tors. theta energy: -131.807
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: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2909.003393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.003393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.534701 (E_RNA)
where:
Base-Base interactions energy: -2042.016
where: short stacking energy: -821.533
Base-Backbone interact. energy: -3.321
local terms energy: -865.197897
where:
bonds (distance) C4'-P energy: -156.792
bonds (distance) P-C4' energy: -141.585
flat angles C4'-P-C4' energy: -189.746
flat angles P-C4'-P energy: -129.443
tors. eta vs tors. theta energy: -247.633
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: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2855.951581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.951581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.516255 (E_RNA)
where:
Base-Base interactions energy: -1991.615
where: short stacking energy: -828.899
Base-Backbone interact. energy: -5.723
local terms energy: -860.178847
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -162.749
flat angles C4'-P-C4' energy: -169.879
flat angles P-C4'-P energy: -129.823
tors. eta vs tors. theta energy: -254.321
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2763.768375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.768375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.216327 (E_RNA)
where:
Base-Base interactions energy: -1899.840
where: short stacking energy: -806.465
Base-Backbone interact. energy: -1.563
local terms energy: -863.813859
where:
bonds (distance) C4'-P energy: -161.831
bonds (distance) P-C4' energy: -158.825
flat angles C4'-P-C4' energy: -180.655
flat angles P-C4'-P energy: -121.575
tors. eta vs tors. theta energy: -240.928
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: 409
Temperature: 1.050000
Total energy: -2562.452489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.452489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.466701 (E_RNA)
where:
Base-Base interactions energy: -1783.390
where: short stacking energy: -760.629
Base-Backbone interact. energy: 1.116
local terms energy: -781.193244
where:
bonds (distance) C4'-P energy: -143.788
bonds (distance) P-C4' energy: -138.026
flat angles C4'-P-C4' energy: -161.022
flat angles P-C4'-P energy: -102.977
tors. eta vs tors. theta energy: -235.380
Dist. restrs. and SS energy: 1.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2398.555891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.555891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.096368 (E_RNA)
where:
Base-Base interactions energy: -1680.941
where: short stacking energy: -688.289
Base-Backbone interact. energy: -0.670
local terms energy: -718.485564
where:
bonds (distance) C4'-P energy: -129.872
bonds (distance) P-C4' energy: -131.914
flat angles C4'-P-C4' energy: -165.878
flat angles P-C4'-P energy: -100.683
tors. eta vs tors. theta energy: -190.139
Dist. restrs. and SS energy: 1.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2221.017884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.017884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.001099 (E_RNA)
where:
Base-Base interactions energy: -1501.873
where: short stacking energy: -652.926
Base-Backbone interact. energy: 0.424
local terms energy: -722.551968
where:
bonds (distance) C4'-P energy: -134.310
bonds (distance) P-C4' energy: -144.691
flat angles C4'-P-C4' energy: -163.351
flat angles P-C4'-P energy: -102.723
tors. eta vs tors. theta energy: -177.476
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: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2067.544635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.544635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.660069 (E_RNA)
where:
Base-Base interactions energy: -1400.550
where: short stacking energy: -575.743
Base-Backbone interact. energy: -0.230
local terms energy: -668.880079
where:
bonds (distance) C4'-P energy: -136.829
bonds (distance) P-C4' energy: -136.703
flat angles C4'-P-C4' energy: -136.585
flat angles P-C4'-P energy: -101.796
tors. eta vs tors. theta energy: -156.967
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: 409
Temperature: 1.250000
Total energy: -2008.576752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.576752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.487960 (E_RNA)
where:
Base-Base interactions energy: -1360.954
where: short stacking energy: -566.911
Base-Backbone interact. energy: 2.040
local terms energy: -652.574047
where:
bonds (distance) C4'-P energy: -135.844
bonds (distance) P-C4' energy: -121.442
flat angles C4'-P-C4' energy: -158.761
flat angles P-C4'-P energy: -85.934
tors. eta vs tors. theta energy: -150.593
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1925.523101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.523101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.322109 (E_RNA)
where:
Base-Base interactions energy: -1314.075
where: short stacking energy: -574.400
Base-Backbone interact. energy: -4.298
local terms energy: -608.949255
where:
bonds (distance) C4'-P energy: -137.093
bonds (distance) P-C4' energy: -114.764
flat angles C4'-P-C4' energy: -130.475
flat angles P-C4'-P energy: -71.302
tors. eta vs tors. theta energy: -155.316
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1858.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.339363 (E_RNA)
where:
Base-Base interactions energy: -1264.860
where: short stacking energy: -515.966
Base-Backbone interact. energy: 4.370
local terms energy: -602.849837
where:
bonds (distance) C4'-P energy: -137.748
bonds (distance) P-C4' energy: -138.463
flat angles C4'-P-C4' energy: -127.955
flat angles P-C4'-P energy: -75.668
tors. eta vs tors. theta energy: -123.018
Dist. restrs. and SS energy: 5.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2912.231196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.231196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.631818 (E_RNA)
where:
Base-Base interactions energy: -2025.450
where: short stacking energy: -837.951
Base-Backbone interact. energy: -4.398
local terms energy: -884.784050
where:
bonds (distance) C4'-P energy: -158.095
bonds (distance) P-C4' energy: -166.906
flat angles C4'-P-C4' energy: -186.628
flat angles P-C4'-P energy: -128.331
tors. eta vs tors. theta energy: -244.824
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: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2868.823463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.975714 (E_RNA)
where:
Base-Base interactions energy: -2002.741
where: short stacking energy: -828.227
Base-Backbone interact. energy: 3.623
local terms energy: -870.857900
where:
bonds (distance) C4'-P energy: -140.420
bonds (distance) P-C4' energy: -174.970
flat angles C4'-P-C4' energy: -172.115
flat angles P-C4'-P energy: -123.915
tors. eta vs tors. theta energy: -259.439
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2754.436133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.436133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.435476 (E_RNA)
where:
Base-Base interactions energy: -1901.457
where: short stacking energy: -810.713
Base-Backbone interact. energy: -3.082
local terms energy: -852.896489
where:
bonds (distance) C4'-P energy: -150.848
bonds (distance) P-C4' energy: -146.806
flat angles C4'-P-C4' energy: -190.357
flat angles P-C4'-P energy: -119.286
tors. eta vs tors. theta energy: -245.600
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: 410
Temperature: 1.050000
Total energy: -2529.853683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.853683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.742108 (E_RNA)
where:
Base-Base interactions energy: -1715.019
where: short stacking energy: -729.623
Base-Backbone interact. energy: -1.817
local terms energy: -814.906751
where:
bonds (distance) C4'-P energy: -142.936
bonds (distance) P-C4' energy: -166.395
flat angles C4'-P-C4' energy: -166.790
flat angles P-C4'-P energy: -105.772
tors. eta vs tors. theta energy: -233.014
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: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2427.875813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.875813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.781281 (E_RNA)
where:
Base-Base interactions energy: -1661.228
where: short stacking energy: -710.573
Base-Backbone interact. energy: 0.716
local terms energy: -768.269702
where:
bonds (distance) C4'-P energy: -144.223
bonds (distance) P-C4' energy: -142.948
flat angles C4'-P-C4' energy: -166.170
flat angles P-C4'-P energy: -106.331
tors. eta vs tors. theta energy: -208.597
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2256.259340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.259340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.040124 (E_RNA)
where:
Base-Base interactions energy: -1528.540
where: short stacking energy: -655.765
Base-Backbone interact. energy: 1.540
local terms energy: -731.039847
where:
bonds (distance) C4'-P energy: -141.637
bonds (distance) P-C4' energy: -140.098
flat angles C4'-P-C4' energy: -169.723
flat angles P-C4'-P energy: -101.978
tors. eta vs tors. theta energy: -177.605
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2090.387367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.387367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.072019 (E_RNA)
where:
Base-Base interactions energy: -1399.560
where: short stacking energy: -615.942
Base-Backbone interact. energy: 6.650
local terms energy: -700.161946
where:
bonds (distance) C4'-P energy: -137.527
bonds (distance) P-C4' energy: -139.967
flat angles C4'-P-C4' energy: -173.777
flat angles P-C4'-P energy: -94.753
tors. eta vs tors. theta energy: -154.138
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: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1976.659635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.659635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.822546 (E_RNA)
where:
Base-Base interactions energy: -1299.785
where: short stacking energy: -544.777
Base-Backbone interact. energy: -0.414
local terms energy: -678.623419
where:
bonds (distance) C4'-P energy: -124.902
bonds (distance) P-C4' energy: -167.260
flat angles C4'-P-C4' energy: -150.771
flat angles P-C4'-P energy: -87.317
tors. eta vs tors. theta energy: -148.374
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: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1946.337851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.337851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.488347 (E_RNA)
where:
Base-Base interactions energy: -1339.359
where: short stacking energy: -549.998
Base-Backbone interact. energy: 2.144
local terms energy: -611.273735
where:
bonds (distance) C4'-P energy: -115.396
bonds (distance) P-C4' energy: -114.143
flat angles C4'-P-C4' energy: -149.382
flat angles P-C4'-P energy: -87.152
tors. eta vs tors. theta energy: -145.200
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: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1859.372814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.372814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.259337 (E_RNA)
where:
Base-Base interactions energy: -1277.316
where: short stacking energy: -516.451
Base-Backbone interact. energy: -1.765
local terms energy: -583.178402
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -128.536
flat angles C4'-P-C4' energy: -124.883
flat angles P-C4'-P energy: -75.819
tors. eta vs tors. theta energy: -136.365
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: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2897.504471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.840115 (E_RNA)
where:
Base-Base interactions energy: -2027.163
where: short stacking energy: -821.074
Base-Backbone interact. energy: 5.495
local terms energy: -877.171646
where:
bonds (distance) C4'-P energy: -171.074
bonds (distance) P-C4' energy: -154.819
flat angles C4'-P-C4' energy: -184.788
flat angles P-C4'-P energy: -129.767
tors. eta vs tors. theta energy: -236.723
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: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2850.050147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2850.050147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.568451 (E_RNA)
where:
Base-Base interactions energy: -1970.256
where: short stacking energy: -826.512
Base-Backbone interact. energy: 0.915
local terms energy: -882.226982
where:
bonds (distance) C4'-P energy: -150.665
bonds (distance) P-C4' energy: -164.467
flat angles C4'-P-C4' energy: -184.893
flat angles P-C4'-P energy: -127.296
tors. eta vs tors. theta energy: -254.905
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: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2730.273358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.273358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.396858 (E_RNA)
where:
Base-Base interactions energy: -1895.497
where: short stacking energy: -780.687
Base-Backbone interact. energy: -1.254
local terms energy: -837.644972
where:
bonds (distance) C4'-P energy: -155.245
bonds (distance) P-C4' energy: -142.005
flat angles C4'-P-C4' energy: -175.253
flat angles P-C4'-P energy: -129.212
tors. eta vs tors. theta energy: -235.930
Dist. restrs. and SS energy: 4.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2550.046647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.046647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.988747 (E_RNA)
where:
Base-Base interactions energy: -1744.027
where: short stacking energy: -723.575
Base-Backbone interact. energy: 0.893
local terms energy: -809.855024
where:
bonds (distance) C4'-P energy: -142.628
bonds (distance) P-C4' energy: -153.869
flat angles C4'-P-C4' energy: -181.980
flat angles P-C4'-P energy: -115.939
tors. eta vs tors. theta energy: -215.439
Dist. restrs. and SS energy: 2.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2406.668140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.668140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.733267 (E_RNA)
where:
Base-Base interactions energy: -1650.247
where: short stacking energy: -732.379
Base-Backbone interact. energy: 9.910
local terms energy: -768.396836
where:
bonds (distance) C4'-P energy: -132.428
bonds (distance) P-C4' energy: -128.421
flat angles C4'-P-C4' energy: -179.603
flat angles P-C4'-P energy: -120.221
tors. eta vs tors. theta energy: -207.724
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2162.058403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.058403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.533331 (E_RNA)
where:
Base-Base interactions energy: -1429.386
where: short stacking energy: -634.497
Base-Backbone interact. energy: -3.043
local terms energy: -732.104633
where:
bonds (distance) C4'-P energy: -139.087
bonds (distance) P-C4' energy: -134.561
flat angles C4'-P-C4' energy: -166.001
flat angles P-C4'-P energy: -113.741
tors. eta vs tors. theta energy: -178.715
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: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2120.222101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.222101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.645099 (E_RNA)
where:
Base-Base interactions energy: -1451.485
where: short stacking energy: -632.702
Base-Backbone interact. energy: 7.584
local terms energy: -678.743629
where:
bonds (distance) C4'-P energy: -122.618
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -155.248
flat angles P-C4'-P energy: -91.247
tors. eta vs tors. theta energy: -177.687
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1984.875901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.875901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.428434 (E_RNA)
where:
Base-Base interactions energy: -1345.734
where: short stacking energy: -578.636
Base-Backbone interact. energy: 0.322
local terms energy: -643.016354
where:
bonds (distance) C4'-P energy: -134.345
bonds (distance) P-C4' energy: -119.848
flat angles C4'-P-C4' energy: -148.436
flat angles P-C4'-P energy: -89.683
tors. eta vs tors. theta energy: -150.703
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1945.023270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.023270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.810188 (E_RNA)
where:
Base-Base interactions energy: -1325.135
where: short stacking energy: -562.784
Base-Backbone interact. energy: 2.095
local terms energy: -625.769822
where:
bonds (distance) C4'-P energy: -116.364
bonds (distance) P-C4' energy: -142.584
flat angles C4'-P-C4' energy: -140.396
flat angles P-C4'-P energy: -91.102
tors. eta vs tors. theta energy: -135.324
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: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1824.646039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.646039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.000997 (E_RNA)
where:
Base-Base interactions energy: -1256.433
where: short stacking energy: -525.318
Base-Backbone interact. energy: -2.632
local terms energy: -571.936071
where:
bonds (distance) C4'-P energy: -117.001
bonds (distance) P-C4' energy: -142.271
flat angles C4'-P-C4' energy: -106.984
flat angles P-C4'-P energy: -73.560
tors. eta vs tors. theta energy: -132.120
Dist. restrs. and SS energy: 6.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2902.160322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.160322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.793204 (E_RNA)
where:
Base-Base interactions energy: -2016.357
where: short stacking energy: -825.783
Base-Backbone interact. energy: -3.655
local terms energy: -883.781121
where:
bonds (distance) C4'-P energy: -163.830
bonds (distance) P-C4' energy: -162.573
flat angles C4'-P-C4' energy: -182.049
flat angles P-C4'-P energy: -124.317
tors. eta vs tors. theta energy: -251.011
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2853.965782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.965782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.955470 (E_RNA)
where:
Base-Base interactions energy: -1992.597
where: short stacking energy: -829.758
Base-Backbone interact. energy: -0.909
local terms energy: -861.449229
where:
bonds (distance) C4'-P energy: -151.919
bonds (distance) P-C4' energy: -164.314
flat angles C4'-P-C4' energy: -179.724
flat angles P-C4'-P energy: -116.460
tors. eta vs tors. theta energy: -249.031
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: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2807.388849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.388849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.035419 (E_RNA)
where:
Base-Base interactions energy: -1956.278
where: short stacking energy: -783.879
Base-Backbone interact. energy: -2.964
local terms energy: -850.793903
where:
bonds (distance) C4'-P energy: -153.491
bonds (distance) P-C4' energy: -155.576
flat angles C4'-P-C4' energy: -177.452
flat angles P-C4'-P energy: -112.211
tors. eta vs tors. theta energy: -252.063
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2536.060811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.060811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.018782 (E_RNA)
where:
Base-Base interactions energy: -1734.451
where: short stacking energy: -733.268
Base-Backbone interact. energy: -3.574
local terms energy: -800.994042
where:
bonds (distance) C4'-P energy: -141.098
bonds (distance) P-C4' energy: -149.350
flat angles C4'-P-C4' energy: -184.742
flat angles P-C4'-P energy: -113.299
tors. eta vs tors. theta energy: -212.505
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: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2416.219031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.219031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.294257 (E_RNA)
where:
Base-Base interactions energy: -1674.160
where: short stacking energy: -720.890
Base-Backbone interact. energy: -1.948
local terms energy: -742.186314
where:
bonds (distance) C4'-P energy: -156.820
bonds (distance) P-C4' energy: -126.682
flat angles C4'-P-C4' energy: -168.480
flat angles P-C4'-P energy: -88.468
tors. eta vs tors. theta energy: -201.736
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: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2147.898759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.898759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.838740 (E_RNA)
where:
Base-Base interactions energy: -1427.647
where: short stacking energy: -619.515
Base-Backbone interact. energy: -2.397
local terms energy: -719.794769
where:
bonds (distance) C4'-P energy: -148.932
bonds (distance) P-C4' energy: -141.140
flat angles C4'-P-C4' energy: -178.635
flat angles P-C4'-P energy: -78.070
tors. eta vs tors. theta energy: -173.019
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: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2080.990541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.990541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.910348 (E_RNA)
where:
Base-Base interactions energy: -1399.655
where: short stacking energy: -617.422
Base-Backbone interact. energy: 8.398
local terms energy: -691.653012
where:
bonds (distance) C4'-P energy: -117.572
bonds (distance) P-C4' energy: -149.299
flat angles C4'-P-C4' energy: -157.202
flat angles P-C4'-P energy: -103.134
tors. eta vs tors. theta energy: -164.446
Dist. restrs. and SS energy: 1.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2027.222041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.222041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.335420 (E_RNA)
where:
Base-Base interactions energy: -1386.230
where: short stacking energy: -590.475
Base-Backbone interact. energy: 9.289
local terms energy: -652.393948
where:
bonds (distance) C4'-P energy: -133.565
bonds (distance) P-C4' energy: -121.850
flat angles C4'-P-C4' energy: -149.460
flat angles P-C4'-P energy: -102.595
tors. eta vs tors. theta energy: -144.924
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: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1931.724724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.724724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.960986 (E_RNA)
where:
Base-Base interactions energy: -1316.710
where: short stacking energy: -554.269
Base-Backbone interact. energy: 0.890
local terms energy: -619.141863
where:
bonds (distance) C4'-P energy: -120.159
bonds (distance) P-C4' energy: -121.192
flat angles C4'-P-C4' energy: -163.269
flat angles P-C4'-P energy: -64.467
tors. eta vs tors. theta energy: -150.055
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: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1839.783505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.783505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.258640 (E_RNA)
where:
Base-Base interactions energy: -1271.237
where: short stacking energy: -527.648
Base-Backbone interact. energy: -3.609
local terms energy: -567.411950
where:
bonds (distance) C4'-P energy: -122.716
bonds (distance) P-C4' energy: -136.574
flat angles C4'-P-C4' energy: -113.880
flat angles P-C4'-P energy: -74.126
tors. eta vs tors. theta energy: -120.116
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: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2931.875849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.875849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.408991 (E_RNA)
where:
Base-Base interactions energy: -2048.376
where: short stacking energy: -853.434
Base-Backbone interact. energy: -2.596
local terms energy: -882.437196
where:
bonds (distance) C4'-P energy: -151.236
bonds (distance) P-C4' energy: -174.856
flat angles C4'-P-C4' energy: -184.544
flat angles P-C4'-P energy: -113.673
tors. eta vs tors. theta energy: -258.128
Dist. restrs. and SS energy: 1.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2839.296833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.296833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.347493 (E_RNA)
where:
Base-Base interactions energy: -2017.828
where: short stacking energy: -836.111
Base-Backbone interact. energy: -4.867
local terms energy: -818.652603
where:
bonds (distance) C4'-P energy: -153.305
bonds (distance) P-C4' energy: -143.813
flat angles C4'-P-C4' energy: -160.697
flat angles P-C4'-P energy: -123.782
tors. eta vs tors. theta energy: -237.056
Dist. restrs. and SS energy: 2.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2791.017374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.017374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.943185 (E_RNA)
where:
Base-Base interactions energy: -1970.334
where: short stacking energy: -802.586
Base-Backbone interact. energy: -6.340
local terms energy: -817.269432
where:
bonds (distance) C4'-P energy: -140.553
bonds (distance) P-C4' energy: -153.207
flat angles C4'-P-C4' energy: -168.515
flat angles P-C4'-P energy: -117.962
tors. eta vs tors. theta energy: -237.032
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: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2563.252121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.252121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.809511 (E_RNA)
where:
Base-Base interactions energy: -1766.340
where: short stacking energy: -719.418
Base-Backbone interact. energy: 0.082
local terms energy: -799.551217
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -151.140
flat angles C4'-P-C4' energy: -182.907
flat angles P-C4'-P energy: -106.614
tors. eta vs tors. theta energy: -205.972
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: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2434.258807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.258807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.815558 (E_RNA)
where:
Base-Base interactions energy: -1693.627
where: short stacking energy: -712.551
Base-Backbone interact. energy: 1.642
local terms energy: -744.829662
where:
bonds (distance) C4'-P energy: -130.603
bonds (distance) P-C4' energy: -142.068
flat angles C4'-P-C4' energy: -163.140
flat angles P-C4'-P energy: -94.878
tors. eta vs tors. theta energy: -214.140
Dist. restrs. and SS energy: 2.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2131.828736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.828736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.544327 (E_RNA)
where:
Base-Base interactions energy: -1416.910
where: short stacking energy: -632.082
Base-Backbone interact. energy: -1.857
local terms energy: -714.777595
where:
bonds (distance) C4'-P energy: -144.417
bonds (distance) P-C4' energy: -137.892
flat angles C4'-P-C4' energy: -161.801
flat angles P-C4'-P energy: -107.733
tors. eta vs tors. theta energy: -162.934
Dist. restrs. and SS energy: 1.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2080.131519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.131519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.516227 (E_RNA)
where:
Base-Base interactions energy: -1385.566
where: short stacking energy: -602.111
Base-Backbone interact. energy: -3.053
local terms energy: -695.896774
where:
bonds (distance) C4'-P energy: -143.043
bonds (distance) P-C4' energy: -137.893
flat angles C4'-P-C4' energy: -153.179
flat angles P-C4'-P energy: -115.008
tors. eta vs tors. theta energy: -146.775
Dist. restrs. and SS energy: 4.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2042.623612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.623612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.812895 (E_RNA)
where:
Base-Base interactions energy: -1350.382
where: short stacking energy: -578.708
Base-Backbone interact. energy: -2.266
local terms energy: -694.164694
where:
bonds (distance) C4'-P energy: -146.569
bonds (distance) P-C4' energy: -146.877
flat angles C4'-P-C4' energy: -143.211
flat angles P-C4'-P energy: -101.803
tors. eta vs tors. theta energy: -155.705
Dist. restrs. and SS energy: 4.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1985.171770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.171770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.260528 (E_RNA)
where:
Base-Base interactions energy: -1350.034
where: short stacking energy: -568.497
Base-Backbone interact. energy: -2.040
local terms energy: -636.186120
where:
bonds (distance) C4'-P energy: -114.744
bonds (distance) P-C4' energy: -134.357
flat angles C4'-P-C4' energy: -158.422
flat angles P-C4'-P energy: -74.617
tors. eta vs tors. theta energy: -154.045
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: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1840.697322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.697322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.091029 (E_RNA)
where:
Base-Base interactions energy: -1253.828
where: short stacking energy: -517.511
Base-Backbone interact. energy: 1.120
local terms energy: -590.383334
where:
bonds (distance) C4'-P energy: -121.268
bonds (distance) P-C4' energy: -128.057
flat angles C4'-P-C4' energy: -130.713
flat angles P-C4'-P energy: -95.317
tors. eta vs tors. theta energy: -115.028
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: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2938.943995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.943995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.325248 (E_RNA)
where:
Base-Base interactions energy: -2025.146
where: short stacking energy: -831.250
Base-Backbone interact. energy: 1.168
local terms energy: -917.347530
where:
bonds (distance) C4'-P energy: -169.024
bonds (distance) P-C4' energy: -162.014
flat angles C4'-P-C4' energy: -183.987
flat angles P-C4'-P energy: -142.674
tors. eta vs tors. theta energy: -259.648
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2831.460377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.460377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.305013 (E_RNA)
where:
Base-Base interactions energy: -1996.005
where: short stacking energy: -812.679
Base-Backbone interact. energy: 1.638
local terms energy: -837.937415
where:
bonds (distance) C4'-P energy: -146.898
bonds (distance) P-C4' energy: -160.028
flat angles C4'-P-C4' energy: -168.705
flat angles P-C4'-P energy: -118.443
tors. eta vs tors. theta energy: -243.864
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2778.405874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.405874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.342752 (E_RNA)
where:
Base-Base interactions energy: -1933.407
where: short stacking energy: -794.941
Base-Backbone interact. energy: -0.098
local terms energy: -847.837862
where:
bonds (distance) C4'-P energy: -156.820
bonds (distance) P-C4' energy: -148.383
flat angles C4'-P-C4' energy: -182.607
flat angles P-C4'-P energy: -126.100
tors. eta vs tors. theta energy: -233.928
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2575.867627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.867627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.259834 (E_RNA)
where:
Base-Base interactions energy: -1757.828
where: short stacking energy: -759.947
Base-Backbone interact. energy: 1.973
local terms energy: -823.405446
where:
bonds (distance) C4'-P energy: -149.344
bonds (distance) P-C4' energy: -159.397
flat angles C4'-P-C4' energy: -174.959
flat angles P-C4'-P energy: -116.645
tors. eta vs tors. theta energy: -223.060
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2404.331174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.331174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.715578 (E_RNA)
where:
Base-Base interactions energy: -1659.235
where: short stacking energy: -710.262
Base-Backbone interact. energy: -1.386
local terms energy: -746.094272
where:
bonds (distance) C4'-P energy: -126.635
bonds (distance) P-C4' energy: -162.669
flat angles C4'-P-C4' energy: -150.660
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -201.172
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: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2190.864356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.864356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.183002 (E_RNA)
where:
Base-Base interactions energy: -1482.029
where: short stacking energy: -668.128
Base-Backbone interact. energy: -0.915
local terms energy: -711.239002
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -164.574
flat angles P-C4'-P energy: -88.025
tors. eta vs tors. theta energy: -179.347
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: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2104.073605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.073605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.192954 (E_RNA)
where:
Base-Base interactions energy: -1436.662
where: short stacking energy: -624.264
Base-Backbone interact. energy: -2.120
local terms energy: -667.410595
where:
bonds (distance) C4'-P energy: -130.940
bonds (distance) P-C4' energy: -136.857
flat angles C4'-P-C4' energy: -148.717
flat angles P-C4'-P energy: -84.150
tors. eta vs tors. theta energy: -166.746
Dist. restrs. and SS energy: 2.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2002.806596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.806596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.034396 (E_RNA)
where:
Base-Base interactions energy: -1351.884
where: short stacking energy: -573.435
Base-Backbone interact. energy: -2.078
local terms energy: -652.072019
where:
bonds (distance) C4'-P energy: -133.328
bonds (distance) P-C4' energy: -120.560
flat angles C4'-P-C4' energy: -155.985
flat angles P-C4'-P energy: -88.882
tors. eta vs tors. theta energy: -153.317
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: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1941.267606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.267606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.236336 (E_RNA)
where:
Base-Base interactions energy: -1326.182
where: short stacking energy: -563.859
Base-Backbone interact. energy: -1.431
local terms energy: -615.623017
where:
bonds (distance) C4'-P energy: -132.125
bonds (distance) P-C4' energy: -124.490
flat angles C4'-P-C4' energy: -130.793
flat angles P-C4'-P energy: -91.271
tors. eta vs tors. theta energy: -136.945
Dist. restrs. and SS energy: 1.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -1897.437710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.437710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.097517 (E_RNA)
where:
Base-Base interactions energy: -1308.182
where: short stacking energy: -531.285
Base-Backbone interact. energy: 3.010
local terms energy: -594.925891
where:
bonds (distance) C4'-P energy: -102.626
bonds (distance) P-C4' energy: -137.164
flat angles C4'-P-C4' energy: -131.618
flat angles P-C4'-P energy: -83.372
tors. eta vs tors. theta energy: -140.145
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: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2914.617704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.617704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.605934 (E_RNA)
where:
Base-Base interactions energy: -2029.851
where: short stacking energy: -841.893
Base-Backbone interact. energy: -4.439
local terms energy: -882.316042
where:
bonds (distance) C4'-P energy: -156.420
bonds (distance) P-C4' energy: -153.501
flat angles C4'-P-C4' energy: -188.375
flat angles P-C4'-P energy: -126.736
tors. eta vs tors. theta energy: -257.285
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: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2814.518765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.518765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.674259 (E_RNA)
where:
Base-Base interactions energy: -1971.015
where: short stacking energy: -807.787
Base-Backbone interact. energy: -0.565
local terms energy: -844.094175
where:
bonds (distance) C4'-P energy: -159.091
bonds (distance) P-C4' energy: -164.057
flat angles C4'-P-C4' energy: -166.217
flat angles P-C4'-P energy: -115.991
tors. eta vs tors. theta energy: -238.738
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2747.990676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.990676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.815336 (E_RNA)
where:
Base-Base interactions energy: -1909.081
where: short stacking energy: -800.229
Base-Backbone interact. energy: -4.867
local terms energy: -835.867859
where:
bonds (distance) C4'-P energy: -165.784
bonds (distance) P-C4' energy: -151.273
flat angles C4'-P-C4' energy: -176.667
flat angles P-C4'-P energy: -114.435
tors. eta vs tors. theta energy: -227.708
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: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2560.184848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.184848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.209926 (E_RNA)
where:
Base-Base interactions energy: -1781.496
where: short stacking energy: -732.065
Base-Backbone interact. energy: -3.608
local terms energy: -777.106070
where:
bonds (distance) C4'-P energy: -134.947
bonds (distance) P-C4' energy: -133.178
flat angles C4'-P-C4' energy: -166.542
flat angles P-C4'-P energy: -125.073
tors. eta vs tors. theta energy: -217.367
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2443.896830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.896830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.177046 (E_RNA)
where:
Base-Base interactions energy: -1672.429
where: short stacking energy: -723.482
Base-Backbone interact. energy: 3.862
local terms energy: -778.609656
where:
bonds (distance) C4'-P energy: -151.301
bonds (distance) P-C4' energy: -151.830
flat angles C4'-P-C4' energy: -166.426
flat angles P-C4'-P energy: -104.994
tors. eta vs tors. theta energy: -204.060
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2176.697269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.697269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.241105 (E_RNA)
where:
Base-Base interactions energy: -1484.761
where: short stacking energy: -651.370
Base-Backbone interact. energy: -2.594
local terms energy: -690.886376
where:
bonds (distance) C4'-P energy: -129.649
bonds (distance) P-C4' energy: -125.931
flat angles C4'-P-C4' energy: -144.623
flat angles P-C4'-P energy: -103.050
tors. eta vs tors. theta energy: -187.633
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: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2104.651961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.651961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.785682 (E_RNA)
where:
Base-Base interactions energy: -1426.934
where: short stacking energy: -618.798
Base-Backbone interact. energy: -3.034
local terms energy: -676.817860
where:
bonds (distance) C4'-P energy: -143.908
bonds (distance) P-C4' energy: -126.231
flat angles C4'-P-C4' energy: -145.287
flat angles P-C4'-P energy: -101.418
tors. eta vs tors. theta energy: -159.974
Dist. restrs. and SS energy: 2.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2002.863781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.863781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.420679 (E_RNA)
where:
Base-Base interactions energy: -1361.775
where: short stacking energy: -577.685
Base-Backbone interact. energy: -2.366
local terms energy: -640.280180
where:
bonds (distance) C4'-P energy: -126.527
bonds (distance) P-C4' energy: -117.453
flat angles C4'-P-C4' energy: -143.481
flat angles P-C4'-P energy: -91.958
tors. eta vs tors. theta energy: -160.861
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: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1953.917504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.917504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.482409 (E_RNA)
where:
Base-Base interactions energy: -1325.742
where: short stacking energy: -551.098
Base-Backbone interact. energy: 2.681
local terms energy: -633.421884
where:
bonds (distance) C4'-P energy: -120.724
bonds (distance) P-C4' energy: -132.727
flat angles C4'-P-C4' energy: -138.237
flat angles P-C4'-P energy: -98.552
tors. eta vs tors. theta energy: -143.181
Dist. restrs. and SS energy: 2.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -1838.682003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.682003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.126539 (E_RNA)
where:
Base-Base interactions energy: -1285.008
where: short stacking energy: -560.467
Base-Backbone interact. energy: 3.933
local terms energy: -560.051152
where:
bonds (distance) C4'-P energy: -121.391
bonds (distance) P-C4' energy: -131.030
flat angles C4'-P-C4' energy: -111.312
flat angles P-C4'-P energy: -77.367
tors. eta vs tors. theta energy: -118.951
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: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2908.191942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.191942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.951898 (E_RNA)
where:
Base-Base interactions energy: -2025.219
where: short stacking energy: -812.955
Base-Backbone interact. energy: -3.042
local terms energy: -882.691350
where:
bonds (distance) C4'-P energy: -155.347
bonds (distance) P-C4' energy: -154.369
flat angles C4'-P-C4' energy: -186.086
flat angles P-C4'-P energy: -134.948
tors. eta vs tors. theta energy: -251.941
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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2794.367725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.367725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.677264 (E_RNA)
where:
Base-Base interactions energy: -1952.899
where: short stacking energy: -805.539
Base-Backbone interact. energy: -3.286
local terms energy: -840.491395
where:
bonds (distance) C4'-P energy: -154.838
bonds (distance) P-C4' energy: -152.180
flat angles C4'-P-C4' energy: -176.311
flat angles P-C4'-P energy: -118.768
tors. eta vs tors. theta energy: -238.395
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2754.623306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.623306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.525107 (E_RNA)
where:
Base-Base interactions energy: -1918.542
where: short stacking energy: -793.018
Base-Backbone interact. energy: -1.296
local terms energy: -836.687576
where:
bonds (distance) C4'-P energy: -147.140
bonds (distance) P-C4' energy: -159.150
flat angles C4'-P-C4' energy: -185.078
flat angles P-C4'-P energy: -111.154
tors. eta vs tors. theta energy: -234.165
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: 416
Temperature: 1.050000
Total energy: -2503.771945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.771945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.058348 (E_RNA)
where:
Base-Base interactions energy: -1707.964
where: short stacking energy: -746.247
Base-Backbone interact. energy: -4.015
local terms energy: -793.079655
where:
bonds (distance) C4'-P energy: -163.100
bonds (distance) P-C4' energy: -155.494
flat angles C4'-P-C4' energy: -164.964
flat angles P-C4'-P energy: -112.954
tors. eta vs tors. theta energy: -196.568
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: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2384.190956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.190956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.322080 (E_RNA)
where:
Base-Base interactions energy: -1653.616
where: short stacking energy: -725.978
Base-Backbone interact. energy: 0.349
local terms energy: -734.054620
where:
bonds (distance) C4'-P energy: -138.082
bonds (distance) P-C4' energy: -128.302
flat angles C4'-P-C4' energy: -164.991
flat angles P-C4'-P energy: -93.923
tors. eta vs tors. theta energy: -208.756
Dist. restrs. and SS energy: 3.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2129.272150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.272150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.698123 (E_RNA)
where:
Base-Base interactions energy: -1457.918
where: short stacking energy: -625.182
Base-Backbone interact. energy: -1.604
local terms energy: -671.176178
where:
bonds (distance) C4'-P energy: -147.597
bonds (distance) P-C4' energy: -120.273
flat angles C4'-P-C4' energy: -144.857
flat angles P-C4'-P energy: -92.354
tors. eta vs tors. theta energy: -166.095
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: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2070.217969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.217969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.876446 (E_RNA)
where:
Base-Base interactions energy: -1419.967
where: short stacking energy: -590.090
Base-Backbone interact. energy: 0.020
local terms energy: -652.929376
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -129.521
flat angles C4'-P-C4' energy: -145.989
flat angles P-C4'-P energy: -95.057
tors. eta vs tors. theta energy: -141.518
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1985.487921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.487921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.506454 (E_RNA)
where:
Base-Base interactions energy: -1343.418
where: short stacking energy: -579.729
Base-Backbone interact. energy: 0.277
local terms energy: -646.364924
where:
bonds (distance) C4'-P energy: -126.601
bonds (distance) P-C4' energy: -122.487
flat angles C4'-P-C4' energy: -146.355
flat angles P-C4'-P energy: -98.986
tors. eta vs tors. theta energy: -151.936
Dist. restrs. and SS energy: 4.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1942.180535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.180535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.608337 (E_RNA)
where:
Base-Base interactions energy: -1298.980
where: short stacking energy: -560.814
Base-Backbone interact. energy: 4.261
local terms energy: -649.889537
where:
bonds (distance) C4'-P energy: -140.622
bonds (distance) P-C4' energy: -127.427
flat angles C4'-P-C4' energy: -144.970
flat angles P-C4'-P energy: -86.590
tors. eta vs tors. theta energy: -150.282
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1842.781593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.781593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.370762 (E_RNA)
where:
Base-Base interactions energy: -1226.657
where: short stacking energy: -510.086
Base-Backbone interact. energy: 5.447
local terms energy: -627.160959
where:
bonds (distance) C4'-P energy: -138.871
bonds (distance) P-C4' energy: -153.178
flat angles C4'-P-C4' energy: -138.476
flat angles P-C4'-P energy: -72.397
tors. eta vs tors. theta energy: -124.239
Dist. restrs. and SS energy: 5.589 (S_DIST_RNA)
chem. 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: -2922.657918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.657918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.852393 (E_RNA)
where:
Base-Base interactions energy: -2048.136
where: short stacking energy: -853.089
Base-Backbone interact. energy: 6.005
local terms energy: -882.721181
where:
bonds (distance) C4'-P energy: -155.741
bonds (distance) P-C4' energy: -166.588
flat angles C4'-P-C4' energy: -183.289
flat angles P-C4'-P energy: -122.067
tors. eta vs tors. theta energy: -255.036
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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2817.988305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.988305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.518508 (E_RNA)
where:
Base-Base interactions energy: -1972.444
where: short stacking energy: -828.069
Base-Backbone interact. energy: -0.928
local terms energy: -846.146970
where:
bonds (distance) C4'-P energy: -151.845
bonds (distance) P-C4' energy: -148.117
flat angles C4'-P-C4' energy: -183.582
flat angles P-C4'-P energy: -124.739
tors. eta vs tors. theta energy: -237.864
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: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2752.271257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.271257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.534102 (E_RNA)
where:
Base-Base interactions energy: -1933.958
where: short stacking energy: -762.829
Base-Backbone interact. energy: -2.034
local terms energy: -818.542208
where:
bonds (distance) C4'-P energy: -140.809
bonds (distance) P-C4' energy: -148.490
flat angles C4'-P-C4' energy: -178.121
flat angles P-C4'-P energy: -113.058
tors. eta vs tors. theta energy: -238.065
Dist. restrs. and SS energy: 2.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2543.246460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.246460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.961888 (E_RNA)
where:
Base-Base interactions energy: -1747.461
where: short stacking energy: -740.267
Base-Backbone interact. energy: -2.224
local terms energy: -796.276656
where:
bonds (distance) C4'-P energy: -140.607
bonds (distance) P-C4' energy: -142.364
flat angles C4'-P-C4' energy: -178.571
flat angles P-C4'-P energy: -112.270
tors. eta vs tors. theta energy: -222.464
Dist. restrs. and SS energy: 2.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2315.423918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.423918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.185148 (E_RNA)
where:
Base-Base interactions energy: -1578.616
where: short stacking energy: -679.289
Base-Backbone interact. energy: -2.745
local terms energy: -735.823867
where:
bonds (distance) C4'-P energy: -154.764
bonds (distance) P-C4' energy: -126.550
flat angles C4'-P-C4' energy: -157.111
flat angles P-C4'-P energy: -113.209
tors. eta vs tors. theta energy: -184.190
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: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2159.010851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.010851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.242111 (E_RNA)
where:
Base-Base interactions energy: -1454.776
where: short stacking energy: -628.352
Base-Backbone interact. energy: -4.412
local terms energy: -702.054189
where:
bonds (distance) C4'-P energy: -161.963
bonds (distance) P-C4' energy: -132.028
flat angles C4'-P-C4' energy: -148.878
flat angles P-C4'-P energy: -98.055
tors. eta vs tors. theta energy: -161.131
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: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2098.011566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.011566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.413881 (E_RNA)
where:
Base-Base interactions energy: -1410.331
where: short stacking energy: -624.272
Base-Backbone interact. energy: -1.029
local terms energy: -689.053750
where:
bonds (distance) C4'-P energy: -127.926
bonds (distance) P-C4' energy: -147.661
flat angles C4'-P-C4' energy: -157.151
flat angles P-C4'-P energy: -94.143
tors. eta vs tors. theta energy: -162.174
Dist. restrs. and SS energy: 2.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1999.931773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.931773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.768034 (E_RNA)
where:
Base-Base interactions energy: -1343.785
where: short stacking energy: -572.618
Base-Backbone interact. energy: -0.690
local terms energy: -657.293364
where:
bonds (distance) C4'-P energy: -132.362
bonds (distance) P-C4' energy: -127.758
flat angles C4'-P-C4' energy: -159.981
flat angles P-C4'-P energy: -85.460
tors. eta vs tors. theta energy: -151.733
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: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1939.926598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.926598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.837906 (E_RNA)
where:
Base-Base interactions energy: -1303.299
where: short stacking energy: -506.898
Base-Backbone interact. energy: 2.613
local terms energy: -648.152720
where:
bonds (distance) C4'-P energy: -119.749
bonds (distance) P-C4' energy: -152.321
flat angles C4'-P-C4' energy: -144.119
flat angles P-C4'-P energy: -103.839
tors. eta vs tors. theta energy: -128.125
Dist. restrs. and SS energy: 8.911 (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: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1879.029574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.029574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.666922 (E_RNA)
where:
Base-Base interactions energy: -1274.082
where: short stacking energy: -516.814
Base-Backbone interact. energy: 4.976
local terms energy: -614.560828
where:
bonds (distance) C4'-P energy: -132.056
bonds (distance) P-C4' energy: -122.105
flat angles C4'-P-C4' energy: -133.683
flat angles P-C4'-P energy: -98.922
tors. eta vs tors. theta energy: -127.795
Dist. restrs. and SS energy: 4.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2929.433837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.433837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.779080 (E_RNA)
where:
Base-Base interactions energy: -2064.814
where: short stacking energy: -845.310
Base-Backbone interact. energy: -6.013
local terms energy: -861.951832
where:
bonds (distance) C4'-P energy: -165.145
bonds (distance) P-C4' energy: -140.012
flat angles C4'-P-C4' energy: -187.175
flat angles P-C4'-P energy: -114.476
tors. eta vs tors. theta energy: -255.143
Dist. restrs. and SS energy: 3.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2841.847603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.847603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.106611 (E_RNA)
where:
Base-Base interactions energy: -1976.061
where: short stacking energy: -822.990
Base-Backbone interact. energy: 0.380
local terms energy: -868.425808
where:
bonds (distance) C4'-P energy: -156.973
bonds (distance) P-C4' energy: -158.203
flat angles C4'-P-C4' energy: -194.869
flat angles P-C4'-P energy: -124.799
tors. eta vs tors. theta energy: -233.581
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: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2752.966066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.853367 (E_RNA)
where:
Base-Base interactions energy: -1911.764
where: short stacking energy: -800.514
Base-Backbone interact. energy: 2.336
local terms energy: -845.426108
where:
bonds (distance) C4'-P energy: -157.481
bonds (distance) P-C4' energy: -159.053
flat angles C4'-P-C4' energy: -176.109
flat angles P-C4'-P energy: -125.132
tors. eta vs tors. theta energy: -227.651
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: 418
Temperature: 1.050000
Total energy: -2539.649926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.649926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.307274 (E_RNA)
where:
Base-Base interactions energy: -1782.653
where: short stacking energy: -737.362
Base-Backbone interact. energy: -2.392
local terms energy: -756.262503
where:
bonds (distance) C4'-P energy: -139.756
bonds (distance) P-C4' energy: -156.349
flat angles C4'-P-C4' energy: -159.986
flat angles P-C4'-P energy: -93.183
tors. eta vs tors. theta energy: -206.989
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2360.689230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.689230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.526657 (E_RNA)
where:
Base-Base interactions energy: -1629.372
where: short stacking energy: -700.125
Base-Backbone interact. energy: 1.449
local terms energy: -733.603114
where:
bonds (distance) C4'-P energy: -137.327
bonds (distance) P-C4' energy: -128.886
flat angles C4'-P-C4' energy: -174.020
flat angles P-C4'-P energy: -105.806
tors. eta vs tors. theta energy: -187.564
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2152.451127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.451127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.940736 (E_RNA)
where:
Base-Base interactions energy: -1427.605
where: short stacking energy: -626.772
Base-Backbone interact. energy: -1.802
local terms energy: -727.533155
where:
bonds (distance) C4'-P energy: -126.217
bonds (distance) P-C4' energy: -146.222
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -123.282
tors. eta vs tors. theta energy: -175.645
Dist. restrs. and SS energy: 4.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2093.125313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.125313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.744811 (E_RNA)
where:
Base-Base interactions energy: -1410.198
where: short stacking energy: -588.800
Base-Backbone interact. energy: 0.529
local terms energy: -685.075350
where:
bonds (distance) C4'-P energy: -123.344
bonds (distance) P-C4' energy: -140.125
flat angles C4'-P-C4' energy: -164.856
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -154.578
Dist. restrs. and SS energy: 1.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2038.536384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.536384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.721297 (E_RNA)
where:
Base-Base interactions energy: -1360.622
where: short stacking energy: -592.352
Base-Backbone interact. energy: 0.064
local terms energy: -680.163012
where:
bonds (distance) C4'-P energy: -141.237
bonds (distance) P-C4' energy: -130.846
flat angles C4'-P-C4' energy: -147.952
flat angles P-C4'-P energy: -102.088
tors. eta vs tors. theta energy: -158.041
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: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1940.668763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.668763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.795358 (E_RNA)
where:
Base-Base interactions energy: -1322.671
where: short stacking energy: -546.953
Base-Backbone interact. energy: -1.399
local terms energy: -624.725062
where:
bonds (distance) C4'-P energy: -135.597
bonds (distance) P-C4' energy: -119.819
flat angles C4'-P-C4' energy: -141.127
flat angles P-C4'-P energy: -83.416
tors. eta vs tors. theta energy: -144.765
Dist. restrs. and SS energy: 8.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -1893.945006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.945006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.612078 (E_RNA)
where:
Base-Base interactions energy: -1312.106
where: short stacking energy: -568.495
Base-Backbone interact. energy: -4.313
local terms energy: -581.193402
where:
bonds (distance) C4'-P energy: -85.358
bonds (distance) P-C4' energy: -134.950
flat angles C4'-P-C4' energy: -131.681
flat angles P-C4'-P energy: -89.068
tors. eta vs tors. theta energy: -140.135
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: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2942.073930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.073930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.311464 (E_RNA)
where:
Base-Base interactions energy: -2041.364
where: short stacking energy: -858.345
Base-Backbone interact. energy: -1.930
local terms energy: -901.017437
where:
bonds (distance) C4'-P energy: -170.542
bonds (distance) P-C4' energy: -165.539
flat angles C4'-P-C4' energy: -187.529
flat angles P-C4'-P energy: -117.207
tors. eta vs tors. theta energy: -260.201
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: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2823.053440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.053440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.255038 (E_RNA)
where:
Base-Base interactions energy: -1973.487
where: short stacking energy: -807.312
Base-Backbone interact. energy: -3.084
local terms energy: -849.683940
where:
bonds (distance) C4'-P energy: -155.665
bonds (distance) P-C4' energy: -151.861
flat angles C4'-P-C4' energy: -178.511
flat angles P-C4'-P energy: -129.369
tors. eta vs tors. theta energy: -234.278
Dist. restrs. and SS energy: 3.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2761.437055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.437055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.480237 (E_RNA)
where:
Base-Base interactions energy: -1932.230
where: short stacking energy: -789.895
Base-Backbone interact. energy: -1.168
local terms energy: -829.082679
where:
bonds (distance) C4'-P energy: -151.523
bonds (distance) P-C4' energy: -170.293
flat angles C4'-P-C4' energy: -175.463
flat angles P-C4'-P energy: -110.221
tors. eta vs tors. theta energy: -221.583
Dist. restrs. and SS energy: 1.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2532.825862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.825862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.464698 (E_RNA)
where:
Base-Base interactions energy: -1744.296
where: short stacking energy: -733.587
Base-Backbone interact. energy: -2.200
local terms energy: -789.968880
where:
bonds (distance) C4'-P energy: -141.163
bonds (distance) P-C4' energy: -144.945
flat angles C4'-P-C4' energy: -176.864
flat angles P-C4'-P energy: -102.193
tors. eta vs tors. theta energy: -224.805
Dist. restrs. and SS energy: 3.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2359.265834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.265834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.469236 (E_RNA)
where:
Base-Base interactions energy: -1610.626
where: short stacking energy: -696.894
Base-Backbone interact. energy: -1.062
local terms energy: -750.780943
where:
bonds (distance) C4'-P energy: -151.177
bonds (distance) P-C4' energy: -154.934
flat angles C4'-P-C4' energy: -158.972
flat angles P-C4'-P energy: -97.333
tors. eta vs tors. theta energy: -188.364
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: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2178.091081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.091081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.058370 (E_RNA)
where:
Base-Base interactions energy: -1440.984
where: short stacking energy: -629.189
Base-Backbone interact. energy: 0.920
local terms energy: -740.994778
where:
bonds (distance) C4'-P energy: -153.085
bonds (distance) P-C4' energy: -133.489
flat angles C4'-P-C4' energy: -166.990
flat angles P-C4'-P energy: -111.477
tors. eta vs tors. theta energy: -175.953
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: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2063.457130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.457130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.278531 (E_RNA)
where:
Base-Base interactions energy: -1383.003
where: short stacking energy: -579.166
Base-Backbone interact. energy: -8.035
local terms energy: -675.240746
where:
bonds (distance) C4'-P energy: -151.394
bonds (distance) P-C4' energy: -139.250
flat angles C4'-P-C4' energy: -156.670
flat angles P-C4'-P energy: -85.511
tors. eta vs tors. theta energy: -142.415
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -2054.132235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.132235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.555266 (E_RNA)
where:
Base-Base interactions energy: -1401.321
where: short stacking energy: -606.463
Base-Backbone interact. energy: 9.425
local terms energy: -664.659127
where:
bonds (distance) C4'-P energy: -140.591
bonds (distance) P-C4' energy: -144.495
flat angles C4'-P-C4' energy: -144.921
flat angles P-C4'-P energy: -74.071
tors. eta vs tors. theta energy: -160.581
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: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1936.246004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.246004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.084362 (E_RNA)
where:
Base-Base interactions energy: -1299.780
where: short stacking energy: -527.953
Base-Backbone interact. energy: -0.852
local terms energy: -639.451712
where:
bonds (distance) C4'-P energy: -123.052
bonds (distance) P-C4' energy: -144.577
flat angles C4'-P-C4' energy: -133.366
flat angles P-C4'-P energy: -100.083
tors. eta vs tors. theta energy: -138.373
Dist. restrs. and SS energy: 3.838 (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: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1888.886283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.886283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.012757 (E_RNA)
where:
Base-Base interactions energy: -1267.173
where: short stacking energy: -527.402
Base-Backbone interact. energy: 0.491
local terms energy: -625.330685
where:
bonds (distance) C4'-P energy: -132.138
bonds (distance) P-C4' energy: -131.312
flat angles C4'-P-C4' energy: -137.125
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -130.358
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: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2934.466968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.466968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.301405 (E_RNA)
where:
Base-Base interactions energy: -2034.859
where: short stacking energy: -851.407
Base-Backbone interact. energy: -5.527
local terms energy: -895.916109
where:
bonds (distance) C4'-P energy: -160.546
bonds (distance) P-C4' energy: -174.119
flat angles C4'-P-C4' energy: -183.053
flat angles P-C4'-P energy: -118.677
tors. eta vs tors. theta energy: -259.520
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: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2838.316067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.316067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.183025 (E_RNA)
where:
Base-Base interactions energy: -1994.231
where: short stacking energy: -849.750
Base-Backbone interact. energy: 3.098
local terms energy: -849.050691
where:
bonds (distance) C4'-P energy: -154.432
bonds (distance) P-C4' energy: -165.414
flat angles C4'-P-C4' energy: -161.008
flat angles P-C4'-P energy: -121.874
tors. eta vs tors. theta energy: -246.322
Dist. restrs. and SS energy: 1.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2729.287320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.287320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.110725 (E_RNA)
where:
Base-Base interactions energy: -1901.913
where: short stacking energy: -797.143
Base-Backbone interact. energy: -0.957
local terms energy: -827.239959
where:
bonds (distance) C4'-P energy: -165.782
bonds (distance) P-C4' energy: -150.946
flat angles C4'-P-C4' energy: -178.364
flat angles P-C4'-P energy: -111.835
tors. eta vs tors. theta energy: -220.313
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2538.959058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.959058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.670866 (E_RNA)
where:
Base-Base interactions energy: -1734.614
where: short stacking energy: -743.333
Base-Backbone interact. energy: -3.514
local terms energy: -802.543668
where:
bonds (distance) C4'-P energy: -150.995
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -179.614
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -225.147
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: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2405.225136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.225136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.631136 (E_RNA)
where:
Base-Base interactions energy: -1640.389
where: short stacking energy: -687.190
Base-Backbone interact. energy: 9.496
local terms energy: -776.738103
where:
bonds (distance) C4'-P energy: -158.223
bonds (distance) P-C4' energy: -141.498
flat angles C4'-P-C4' energy: -163.272
flat angles P-C4'-P energy: -123.325
tors. eta vs tors. theta energy: -190.420
Dist. restrs. and SS energy: 2.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2209.490668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.490668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.960213 (E_RNA)
where:
Base-Base interactions energy: -1492.606
where: short stacking energy: -655.157
Base-Backbone interact. energy: -2.015
local terms energy: -716.340071
where:
bonds (distance) C4'-P energy: -123.085
bonds (distance) P-C4' energy: -145.869
flat angles C4'-P-C4' energy: -159.653
flat angles P-C4'-P energy: -104.907
tors. eta vs tors. theta energy: -182.826
Dist. restrs. and SS energy: 1.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2118.087298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.087298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.945723 (E_RNA)
where:
Base-Base interactions energy: -1428.584
where: short stacking energy: -604.993
Base-Backbone interact. energy: 7.288
local terms energy: -700.649662
where:
bonds (distance) C4'-P energy: -135.195
bonds (distance) P-C4' energy: -161.752
flat angles C4'-P-C4' energy: -138.723
flat angles P-C4'-P energy: -103.691
tors. eta vs tors. theta energy: -161.288
Dist. restrs. and SS energy: 3.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2012.989080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.989080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.054315 (E_RNA)
where:
Base-Base interactions energy: -1372.680
where: short stacking energy: -575.004
Base-Backbone interact. energy: 4.080
local terms energy: -646.453752
where:
bonds (distance) C4'-P energy: -133.494
bonds (distance) P-C4' energy: -129.485
flat angles C4'-P-C4' energy: -140.332
flat angles P-C4'-P energy: -82.832
tors. eta vs tors. theta energy: -160.309
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1991.656713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.656713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.109262 (E_RNA)
where:
Base-Base interactions energy: -1358.700
where: short stacking energy: -567.130
Base-Backbone interact. energy: 6.455
local terms energy: -641.863840
where:
bonds (distance) C4'-P energy: -118.938
bonds (distance) P-C4' energy: -145.886
flat angles C4'-P-C4' energy: -132.952
flat angles P-C4'-P energy: -94.579
tors. eta vs tors. theta energy: -149.509
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: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1868.109748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.109748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.449264 (E_RNA)
where:
Base-Base interactions energy: -1266.468
where: short stacking energy: -546.219
Base-Backbone interact. energy: -1.999
local terms energy: -602.982314
where:
bonds (distance) C4'-P energy: -139.462
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -145.389
flat angles P-C4'-P energy: -74.166
tors. eta vs tors. theta energy: -135.355
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: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2923.635930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.635930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.228564 (E_RNA)
where:
Base-Base interactions energy: -2048.114
where: short stacking energy: -843.200
Base-Backbone interact. energy: -0.479
local terms energy: -877.634704
where:
bonds (distance) C4'-P energy: -162.313
bonds (distance) P-C4' energy: -164.890
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -122.362
tors. eta vs tors. theta energy: -253.744
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: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2789.923872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.923872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.202972 (E_RNA)
where:
Base-Base interactions energy: -1930.319
where: short stacking energy: -823.064
Base-Backbone interact. energy: -2.562
local terms energy: -858.321633
where:
bonds (distance) C4'-P energy: -154.339
bonds (distance) P-C4' energy: -170.640
flat angles C4'-P-C4' energy: -178.689
flat angles P-C4'-P energy: -117.850
tors. eta vs tors. theta energy: -236.803
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: 3, replica: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2734.831724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.831724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.684963 (E_RNA)
where:
Base-Base interactions energy: -1911.275
where: short stacking energy: -770.363
Base-Backbone interact. energy: -4.201
local terms energy: -822.208932
where:
bonds (distance) C4'-P energy: -146.731
bonds (distance) P-C4' energy: -148.047
flat angles C4'-P-C4' energy: -178.399
flat angles P-C4'-P energy: -118.041
tors. eta vs tors. theta energy: -230.991
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: 421
Temperature: 1.050000
Total energy: -2566.050076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.050076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.887307 (E_RNA)
where:
Base-Base interactions energy: -1753.259
where: short stacking energy: -755.245
Base-Backbone interact. energy: -2.349
local terms energy: -814.279505
where:
bonds (distance) C4'-P energy: -142.917
bonds (distance) P-C4' energy: -162.229
flat angles C4'-P-C4' energy: -169.596
flat angles P-C4'-P energy: -115.229
tors. eta vs tors. theta energy: -224.308
Dist. restrs. and SS energy: 3.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2391.928366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.928366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.064605 (E_RNA)
where:
Base-Base interactions energy: -1629.841
where: short stacking energy: -687.403
Base-Backbone interact. energy: 0.198
local terms energy: -765.422251
where:
bonds (distance) C4'-P energy: -143.766
bonds (distance) P-C4' energy: -141.223
flat angles C4'-P-C4' energy: -174.152
flat angles P-C4'-P energy: -101.610
tors. eta vs tors. theta energy: -204.671
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2143.827635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.827635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.750884 (E_RNA)
where:
Base-Base interactions energy: -1446.664
where: short stacking energy: -612.969
Base-Backbone interact. energy: -3.930
local terms energy: -695.156734
where:
bonds (distance) C4'-P energy: -156.793
bonds (distance) P-C4' energy: -135.019
flat angles C4'-P-C4' energy: -149.761
flat angles P-C4'-P energy: -87.296
tors. eta vs tors. theta energy: -166.289
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: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2073.976649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.976649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.327682 (E_RNA)
where:
Base-Base interactions energy: -1400.079
where: short stacking energy: -590.935
Base-Backbone interact. energy: 5.787
local terms energy: -682.035842
where:
bonds (distance) C4'-P energy: -153.270
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -155.035
flat angles P-C4'-P energy: -94.216
tors. eta vs tors. theta energy: -141.688
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1995.489511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.489511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.954548 (E_RNA)
where:
Base-Base interactions energy: -1357.305
where: short stacking energy: -573.922
Base-Backbone interact. energy: 5.932
local terms energy: -645.580873
where:
bonds (distance) C4'-P energy: -132.746
bonds (distance) P-C4' energy: -145.324
flat angles C4'-P-C4' energy: -139.704
flat angles P-C4'-P energy: -81.634
tors. eta vs tors. theta energy: -146.173
Dist. restrs. and SS energy: 1.465 (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: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1993.470198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.470198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.002258 (E_RNA)
where:
Base-Base interactions energy: -1351.351
where: short stacking energy: -561.857
Base-Backbone interact. energy: -0.384
local terms energy: -644.267817
where:
bonds (distance) C4'-P energy: -137.853
bonds (distance) P-C4' energy: -131.371
flat angles C4'-P-C4' energy: -144.145
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -138.277
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1854.939259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.939259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.289185 (E_RNA)
where:
Base-Base interactions energy: -1270.962
where: short stacking energy: -525.373
Base-Backbone interact. energy: -0.755
local terms energy: -587.571676
where:
bonds (distance) C4'-P energy: -103.692
bonds (distance) P-C4' energy: -146.257
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -77.623
tors. eta vs tors. theta energy: -117.241
Dist. restrs. and SS energy: 4.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2912.058464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.058464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.807276 (E_RNA)
where:
Base-Base interactions energy: -2001.765
where: short stacking energy: -819.735
Base-Backbone interact. energy: -3.203
local terms energy: -909.838637
where:
bonds (distance) C4'-P energy: -158.136
bonds (distance) P-C4' energy: -169.617
flat angles C4'-P-C4' energy: -197.587
flat angles P-C4'-P energy: -126.419
tors. eta vs tors. theta energy: -258.079
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2826.466573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.466573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.147364 (E_RNA)
where:
Base-Base interactions energy: -1967.052
where: short stacking energy: -813.788
Base-Backbone interact. energy: -2.931
local terms energy: -858.164773
where:
bonds (distance) C4'-P energy: -147.128
bonds (distance) P-C4' energy: -165.489
flat angles C4'-P-C4' energy: -183.792
flat angles P-C4'-P energy: -126.051
tors. eta vs tors. theta energy: -235.704
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: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2765.443023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.443023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.707430 (E_RNA)
where:
Base-Base interactions energy: -1899.758
where: short stacking energy: -786.263
Base-Backbone interact. energy: -3.404
local terms energy: -865.545771
where:
bonds (distance) C4'-P energy: -149.208
bonds (distance) P-C4' energy: -154.104
flat angles C4'-P-C4' energy: -191.971
flat angles P-C4'-P energy: -127.318
tors. eta vs tors. theta energy: -242.945
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: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2561.511338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.511338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.526560 (E_RNA)
where:
Base-Base interactions energy: -1755.043
where: short stacking energy: -751.065
Base-Backbone interact. energy: 3.411
local terms energy: -811.894633
where:
bonds (distance) C4'-P energy: -146.245
bonds (distance) P-C4' energy: -145.489
flat angles C4'-P-C4' energy: -172.868
flat angles P-C4'-P energy: -128.983
tors. eta vs tors. theta energy: -218.309
Dist. restrs. and SS energy: 2.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2380.364527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.364527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.686018 (E_RNA)
where:
Base-Base interactions energy: -1623.835
where: short stacking energy: -667.628
Base-Backbone interact. energy: 3.766
local terms energy: -761.617338
where:
bonds (distance) C4'-P energy: -147.553
bonds (distance) P-C4' energy: -161.895
flat angles C4'-P-C4' energy: -168.004
flat angles P-C4'-P energy: -94.129
tors. eta vs tors. theta energy: -190.036
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2201.887263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.887263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.424697 (E_RNA)
where:
Base-Base interactions energy: -1490.823
where: short stacking energy: -629.069
Base-Backbone interact. energy: -6.325
local terms energy: -707.276803
where:
bonds (distance) C4'-P energy: -148.547
bonds (distance) P-C4' energy: -133.390
flat angles C4'-P-C4' energy: -160.977
flat angles P-C4'-P energy: -97.726
tors. eta vs tors. theta energy: -166.637
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: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2065.873713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.873713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.625174 (E_RNA)
where:
Base-Base interactions energy: -1392.329
where: short stacking energy: -596.367
Base-Backbone interact. energy: 1.307
local terms energy: -677.603093
where:
bonds (distance) C4'-P energy: -133.521
bonds (distance) P-C4' energy: -139.183
flat angles C4'-P-C4' energy: -137.945
flat angles P-C4'-P energy: -94.156
tors. eta vs tors. theta energy: -172.799
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: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1968.829054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.829054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.336181 (E_RNA)
where:
Base-Base interactions energy: -1342.073
where: short stacking energy: -561.961
Base-Backbone interact. energy: -2.232
local terms energy: -627.031502
where:
bonds (distance) C4'-P energy: -122.469
bonds (distance) P-C4' energy: -142.380
flat angles C4'-P-C4' energy: -130.518
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -130.070
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: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1922.819636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.819636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.688654 (E_RNA)
where:
Base-Base interactions energy: -1270.239
where: short stacking energy: -547.603
Base-Backbone interact. energy: -0.735
local terms energy: -656.713790
where:
bonds (distance) C4'-P energy: -147.944
bonds (distance) P-C4' energy: -139.941
flat angles C4'-P-C4' energy: -127.097
flat angles P-C4'-P energy: -107.948
tors. eta vs tors. theta energy: -133.784
Dist. restrs. and SS energy: 4.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1833.667869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.667869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.315407 (E_RNA)
where:
Base-Base interactions energy: -1269.132
where: short stacking energy: -531.361
Base-Backbone interact. energy: 0.075
local terms energy: -570.259011
where:
bonds (distance) C4'-P energy: -128.759
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -110.381
flat angles P-C4'-P energy: -102.445
tors. eta vs tors. theta energy: -128.822
Dist. restrs. and SS energy: 5.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2924.422917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.422917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.420806 (E_RNA)
where:
Base-Base interactions energy: -2025.041
where: short stacking energy: -839.397
Base-Backbone interact. energy: -1.604
local terms energy: -900.775874
where:
bonds (distance) C4'-P energy: -161.526
bonds (distance) P-C4' energy: -172.296
flat angles C4'-P-C4' energy: -192.170
flat angles P-C4'-P energy: -120.908
tors. eta vs tors. theta energy: -253.875
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: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2805.728757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.728757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.600965 (E_RNA)
where:
Base-Base interactions energy: -1939.695
where: short stacking energy: -813.510
Base-Backbone interact. energy: -2.991
local terms energy: -864.915053
where:
bonds (distance) C4'-P energy: -159.205
bonds (distance) P-C4' energy: -151.892
flat angles C4'-P-C4' energy: -190.477
flat angles P-C4'-P energy: -124.289
tors. eta vs tors. theta energy: -239.053
Dist. restrs. and SS energy: 1.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2776.772888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.772888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.831030 (E_RNA)
where:
Base-Base interactions energy: -1935.100
where: short stacking energy: -806.145
Base-Backbone interact. energy: 0.322
local terms energy: -844.053349
where:
bonds (distance) C4'-P energy: -146.002
bonds (distance) P-C4' energy: -162.486
flat angles C4'-P-C4' energy: -173.517
flat angles P-C4'-P energy: -121.629
tors. eta vs tors. theta energy: -240.418
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2520.810773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.810773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.442268 (E_RNA)
where:
Base-Base interactions energy: -1699.567
where: short stacking energy: -726.259
Base-Backbone interact. energy: -0.701
local terms energy: -823.173473
where:
bonds (distance) C4'-P energy: -155.179
bonds (distance) P-C4' energy: -160.974
flat angles C4'-P-C4' energy: -171.149
flat angles P-C4'-P energy: -118.794
tors. eta vs tors. theta energy: -217.078
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: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2341.653448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.653448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.668951 (E_RNA)
where:
Base-Base interactions energy: -1600.444
where: short stacking energy: -681.590
Base-Backbone interact. energy: 5.060
local terms energy: -748.285201
where:
bonds (distance) C4'-P energy: -133.525
bonds (distance) P-C4' energy: -160.062
flat angles C4'-P-C4' energy: -163.549
flat angles P-C4'-P energy: -97.678
tors. eta vs tors. theta energy: -193.472
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2260.932151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.932151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.562417 (E_RNA)
where:
Base-Base interactions energy: -1529.423
where: short stacking energy: -660.675
Base-Backbone interact. energy: 1.562
local terms energy: -736.701472
where:
bonds (distance) C4'-P energy: -133.630
bonds (distance) P-C4' energy: -153.324
flat angles C4'-P-C4' energy: -152.623
flat angles P-C4'-P energy: -111.505
tors. eta vs tors. theta energy: -185.619
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: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2079.801185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.801185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.246680 (E_RNA)
where:
Base-Base interactions energy: -1440.722
where: short stacking energy: -595.274
Base-Backbone interact. energy: 1.109
local terms energy: -641.633861
where:
bonds (distance) C4'-P energy: -128.130
bonds (distance) P-C4' energy: -123.791
flat angles C4'-P-C4' energy: -148.184
flat angles P-C4'-P energy: -87.013
tors. eta vs tors. theta energy: -154.516
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: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2028.215958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.215958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.304436 (E_RNA)
where:
Base-Base interactions energy: -1349.594
where: short stacking energy: -568.313
Base-Backbone interact. energy: -2.800
local terms energy: -678.910214
where:
bonds (distance) C4'-P energy: -145.418
bonds (distance) P-C4' energy: -140.699
flat angles C4'-P-C4' energy: -153.689
flat angles P-C4'-P energy: -94.181
tors. eta vs tors. theta energy: -144.923
Dist. restrs. and SS energy: 3.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1880.123933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.123933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.980731 (E_RNA)
where:
Base-Base interactions energy: -1270.828
where: short stacking energy: -518.769
Base-Backbone interact. energy: 0.970
local terms energy: -615.122887
where:
bonds (distance) C4'-P energy: -138.970
bonds (distance) P-C4' energy: -130.840
flat angles C4'-P-C4' energy: -141.945
flat angles P-C4'-P energy: -81.544
tors. eta vs tors. theta energy: -121.824
Dist. restrs. and SS energy: 4.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1886.770715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.770715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.806846 (E_RNA)
where:
Base-Base interactions energy: -1299.770
where: short stacking energy: -541.458
Base-Backbone interact. energy: -1.102
local terms energy: -587.935111
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -110.802
flat angles C4'-P-C4' energy: -135.475
flat angles P-C4'-P energy: -96.423
tors. eta vs tors. theta energy: -142.292
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: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2891.423887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.423887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.054544 (E_RNA)
where:
Base-Base interactions energy: -2036.461
where: short stacking energy: -856.607
Base-Backbone interact. energy: 2.081
local terms energy: -858.674410
where:
bonds (distance) C4'-P energy: -157.553
bonds (distance) P-C4' energy: -150.318
flat angles C4'-P-C4' energy: -184.042
flat angles P-C4'-P energy: -120.806
tors. eta vs tors. theta energy: -245.956
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: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2853.638612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2853.638612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.404764 (E_RNA)
where:
Base-Base interactions energy: -1979.184
where: short stacking energy: -807.363
Base-Backbone interact. energy: -4.840
local terms energy: -871.381172
where:
bonds (distance) C4'-P energy: -151.679
bonds (distance) P-C4' energy: -154.585
flat angles C4'-P-C4' energy: -188.217
flat angles P-C4'-P energy: -127.110
tors. eta vs tors. theta energy: -249.790
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2776.415523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.415523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.217250 (E_RNA)
where:
Base-Base interactions energy: -1935.786
where: short stacking energy: -792.600
Base-Backbone interact. energy: -0.352
local terms energy: -842.080000
where:
bonds (distance) C4'-P energy: -153.535
bonds (distance) P-C4' energy: -152.609
flat angles C4'-P-C4' energy: -186.661
flat angles P-C4'-P energy: -112.549
tors. eta vs tors. theta energy: -236.726
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2525.346958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.346958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.258074 (E_RNA)
where:
Base-Base interactions energy: -1743.422
where: short stacking energy: -723.882
Base-Backbone interact. energy: -4.120
local terms energy: -781.715767
where:
bonds (distance) C4'-P energy: -132.206
bonds (distance) P-C4' energy: -144.371
flat angles C4'-P-C4' energy: -168.300
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -218.919
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2365.308988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.308988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.107797 (E_RNA)
where:
Base-Base interactions energy: -1595.264
where: short stacking energy: -687.547
Base-Backbone interact. energy: -3.291
local terms energy: -768.552616
where:
bonds (distance) C4'-P energy: -158.673
bonds (distance) P-C4' energy: -137.016
flat angles C4'-P-C4' energy: -163.570
flat angles P-C4'-P energy: -124.409
tors. eta vs tors. theta energy: -184.885
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: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2251.183393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.183393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.565074 (E_RNA)
where:
Base-Base interactions energy: -1520.779
where: short stacking energy: -658.039
Base-Backbone interact. energy: -1.102
local terms energy: -730.684494
where:
bonds (distance) C4'-P energy: -142.465
bonds (distance) P-C4' energy: -148.753
flat angles C4'-P-C4' energy: -158.718
flat angles P-C4'-P energy: -95.590
tors. eta vs tors. theta energy: -185.159
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2114.327136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.327136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.956556 (E_RNA)
where:
Base-Base interactions energy: -1421.969
where: short stacking energy: -606.956
Base-Backbone interact. energy: 0.544
local terms energy: -694.531850
where:
bonds (distance) C4'-P energy: -114.426
bonds (distance) P-C4' energy: -136.373
flat angles C4'-P-C4' energy: -155.852
flat angles P-C4'-P energy: -100.700
tors. eta vs tors. theta energy: -187.181
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2014.317821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.317821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.592145 (E_RNA)
where:
Base-Base interactions energy: -1383.281
where: short stacking energy: -564.155
Base-Backbone interact. energy: 4.867
local terms energy: -638.177474
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -161.089
flat angles C4'-P-C4' energy: -146.098
flat angles P-C4'-P energy: -87.199
tors. eta vs tors. theta energy: -134.476
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: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1984.691841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.691841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.323315 (E_RNA)
where:
Base-Base interactions energy: -1296.125
where: short stacking energy: -534.883
Base-Backbone interact. energy: -1.667
local terms energy: -690.531646
where:
bonds (distance) C4'-P energy: -139.032
bonds (distance) P-C4' energy: -156.702
flat angles C4'-P-C4' energy: -151.353
flat angles P-C4'-P energy: -102.306
tors. eta vs tors. theta energy: -141.138
Dist. restrs. and SS energy: 3.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1810.298099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.298099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.498949 (E_RNA)
where:
Base-Base interactions energy: -1244.947
where: short stacking energy: -535.783
Base-Backbone interact. energy: 4.884
local terms energy: -574.435934
where:
bonds (distance) C4'-P energy: -135.791
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -134.213
flat angles P-C4'-P energy: -76.197
tors. eta vs tors. theta energy: -125.138
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: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2912.850421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.850421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.631450 (E_RNA)
where:
Base-Base interactions energy: -2039.415
where: short stacking energy: -847.942
Base-Backbone interact. energy: -4.569
local terms energy: -869.647528
where:
bonds (distance) C4'-P energy: -147.854
bonds (distance) P-C4' energy: -152.765
flat angles C4'-P-C4' energy: -186.716
flat angles P-C4'-P energy: -134.264
tors. eta vs tors. theta energy: -248.048
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2860.090826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.090826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.900628 (E_RNA)
where:
Base-Base interactions energy: -1979.794
where: short stacking energy: -817.224
Base-Backbone interact. energy: -7.211
local terms energy: -874.895260
where:
bonds (distance) C4'-P energy: -142.466
bonds (distance) P-C4' energy: -162.812
flat angles C4'-P-C4' energy: -176.616
flat angles P-C4'-P energy: -143.770
tors. eta vs tors. theta energy: -249.231
Dist. restrs. and SS energy: 1.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2789.028265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.028265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.374713 (E_RNA)
where:
Base-Base interactions energy: -1958.100
where: short stacking energy: -806.952
Base-Backbone interact. energy: -1.552
local terms energy: -830.723002
where:
bonds (distance) C4'-P energy: -157.896
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -165.300
flat angles P-C4'-P energy: -110.362
tors. eta vs tors. theta energy: -245.628
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2562.275659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.275659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.903996 (E_RNA)
where:
Base-Base interactions energy: -1771.813
where: short stacking energy: -730.176
Base-Backbone interact. energy: -4.680
local terms energy: -788.410586
where:
bonds (distance) C4'-P energy: -146.998
bonds (distance) P-C4' energy: -145.591
flat angles C4'-P-C4' energy: -176.820
flat angles P-C4'-P energy: -104.878
tors. eta vs tors. theta energy: -214.123
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: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2396.160042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.160042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.185852 (E_RNA)
where:
Base-Base interactions energy: -1654.540
where: short stacking energy: -698.713
Base-Backbone interact. energy: -1.311
local terms energy: -742.334415
where:
bonds (distance) C4'-P energy: -144.685
bonds (distance) P-C4' energy: -151.018
flat angles C4'-P-C4' energy: -157.132
flat angles P-C4'-P energy: -100.084
tors. eta vs tors. theta energy: -189.415
Dist. restrs. and SS energy: 2.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2171.714200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.714200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.392202 (E_RNA)
where:
Base-Base interactions energy: -1439.097
where: short stacking energy: -620.600
Base-Backbone interact. energy: -1.034
local terms energy: -734.261361
where:
bonds (distance) C4'-P energy: -133.964
bonds (distance) P-C4' energy: -174.565
flat angles C4'-P-C4' energy: -159.280
flat angles P-C4'-P energy: -97.397
tors. eta vs tors. theta energy: -169.055
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2166.097503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.097503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.364822 (E_RNA)
where:
Base-Base interactions energy: -1470.409
where: short stacking energy: -617.519
Base-Backbone interact. energy: -3.653
local terms energy: -694.302544
where:
bonds (distance) C4'-P energy: -133.476
bonds (distance) P-C4' energy: -131.332
flat angles C4'-P-C4' energy: -149.246
flat angles P-C4'-P energy: -111.690
tors. eta vs tors. theta energy: -168.558
Dist. restrs. and SS energy: 2.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2051.740722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.740722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.950593 (E_RNA)
where:
Base-Base interactions energy: -1406.348
where: short stacking energy: -574.837
Base-Backbone interact. energy: 5.875
local terms energy: -653.477459
where:
bonds (distance) C4'-P energy: -132.018
bonds (distance) P-C4' energy: -142.879
flat angles C4'-P-C4' energy: -152.744
flat angles P-C4'-P energy: -94.654
tors. eta vs tors. theta energy: -131.183
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1942.936678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.936678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.845554 (E_RNA)
where:
Base-Base interactions energy: -1323.549
where: short stacking energy: -546.421
Base-Backbone interact. energy: 2.837
local terms energy: -626.133844
where:
bonds (distance) C4'-P energy: -113.902
bonds (distance) P-C4' energy: -131.754
flat angles C4'-P-C4' energy: -147.217
flat angles P-C4'-P energy: -84.590
tors. eta vs tors. theta energy: -148.671
Dist. restrs. and SS energy: 3.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1871.897636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.897636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.330648 (E_RNA)
where:
Base-Base interactions energy: -1241.941
where: short stacking energy: -536.503
Base-Backbone interact. energy: -5.024
local terms energy: -631.365432
where:
bonds (distance) C4'-P energy: -126.005
bonds (distance) P-C4' energy: -144.740
flat angles C4'-P-C4' energy: -152.741
flat angles P-C4'-P energy: -81.411
tors. eta vs tors. theta energy: -126.469
Dist. restrs. and SS energy: 6.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2960.436820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.436820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.788459 (E_RNA)
where:
Base-Base interactions energy: -2061.534
where: short stacking energy: -865.967
Base-Backbone interact. energy: -1.893
local terms energy: -898.361395
where:
bonds (distance) C4'-P energy: -150.479
bonds (distance) P-C4' energy: -173.717
flat angles C4'-P-C4' energy: -188.117
flat angles P-C4'-P energy: -132.353
tors. eta vs tors. theta energy: -253.696
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: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2830.067676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.067676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2833.182590 (E_RNA)
where:
Base-Base interactions energy: -1991.950
where: short stacking energy: -803.913
Base-Backbone interact. energy: -0.113
local terms energy: -841.119507
where:
bonds (distance) C4'-P energy: -159.712
bonds (distance) P-C4' energy: -153.645
flat angles C4'-P-C4' energy: -173.114
flat angles P-C4'-P energy: -112.893
tors. eta vs tors. theta energy: -241.756
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: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2728.296600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.296600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.102356 (E_RNA)
where:
Base-Base interactions energy: -1889.122
where: short stacking energy: -770.346
Base-Backbone interact. energy: -2.465
local terms energy: -840.514992
where:
bonds (distance) C4'-P energy: -159.086
bonds (distance) P-C4' energy: -156.315
flat angles C4'-P-C4' energy: -173.788
flat angles P-C4'-P energy: -125.377
tors. eta vs tors. theta energy: -225.949
Dist. restrs. and SS energy: 3.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2557.891037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.891037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.448807 (E_RNA)
where:
Base-Base interactions energy: -1770.296
where: short stacking energy: -755.914
Base-Backbone interact. energy: 8.577
local terms energy: -797.729220
where:
bonds (distance) C4'-P energy: -121.420
bonds (distance) P-C4' energy: -153.200
flat angles C4'-P-C4' energy: -173.106
flat angles P-C4'-P energy: -119.547
tors. eta vs tors. theta energy: -230.456
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2384.786988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.786988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.859488 (E_RNA)
where:
Base-Base interactions energy: -1614.334
where: short stacking energy: -715.710
Base-Backbone interact. energy: 1.021
local terms energy: -773.547248
where:
bonds (distance) C4'-P energy: -146.782
bonds (distance) P-C4' energy: -148.817
flat angles C4'-P-C4' energy: -177.361
flat angles P-C4'-P energy: -106.713
tors. eta vs tors. theta energy: -193.874
Dist. restrs. and SS energy: 2.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2176.402153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.402153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.771263 (E_RNA)
where:
Base-Base interactions energy: -1449.373
where: short stacking energy: -622.481
Base-Backbone interact. energy: 0.072
local terms energy: -728.470245
where:
bonds (distance) C4'-P energy: -138.551
bonds (distance) P-C4' energy: -142.352
flat angles C4'-P-C4' energy: -161.199
flat angles P-C4'-P energy: -111.403
tors. eta vs tors. theta energy: -174.966
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2124.719928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.719928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.877727 (E_RNA)
where:
Base-Base interactions energy: -1465.046
where: short stacking energy: -612.655
Base-Backbone interact. energy: -2.114
local terms energy: -661.718203
where:
bonds (distance) C4'-P energy: -101.758
bonds (distance) P-C4' energy: -141.961
flat angles C4'-P-C4' energy: -169.269
flat angles P-C4'-P energy: -93.535
tors. eta vs tors. theta energy: -155.196
Dist. restrs. and SS energy: 4.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2045.454002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.454002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.569566 (E_RNA)
where:
Base-Base interactions energy: -1414.318
where: short stacking energy: -589.754
Base-Backbone interact. energy: -1.091
local terms energy: -633.161092
where:
bonds (distance) C4'-P energy: -123.676
bonds (distance) P-C4' energy: -130.846
flat angles C4'-P-C4' energy: -138.423
flat angles P-C4'-P energy: -84.684
tors. eta vs tors. theta energy: -155.532
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1938.257926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.257926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.721449 (E_RNA)
where:
Base-Base interactions energy: -1328.772
where: short stacking energy: -559.836
Base-Backbone interact. energy: 12.382
local terms energy: -623.330900
where:
bonds (distance) C4'-P energy: -121.034
bonds (distance) P-C4' energy: -133.902
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -86.731
tors. eta vs tors. theta energy: -134.461
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: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1876.636802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.636802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.779819 (E_RNA)
where:
Base-Base interactions energy: -1259.505
where: short stacking energy: -541.533
Base-Backbone interact. energy: -3.305
local terms energy: -617.970409
where:
bonds (distance) C4'-P energy: -114.944
bonds (distance) P-C4' energy: -120.777
flat angles C4'-P-C4' energy: -147.163
flat angles P-C4'-P energy: -82.293
tors. eta vs tors. theta energy: -152.793
Dist. restrs. and SS energy: 4.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2901.671109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.671109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.801278 (E_RNA)
where:
Base-Base interactions energy: -2015.079
where: short stacking energy: -857.261
Base-Backbone interact. energy: 4.940
local terms energy: -892.662962
where:
bonds (distance) C4'-P energy: -174.138
bonds (distance) P-C4' energy: -160.731
flat angles C4'-P-C4' energy: -182.591
flat angles P-C4'-P energy: -121.597
tors. eta vs tors. theta energy: -253.606
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: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2833.146632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.146632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.859727 (E_RNA)
where:
Base-Base interactions energy: -1942.705
where: short stacking energy: -818.328
Base-Backbone interact. energy: 0.709
local terms energy: -892.863884
where:
bonds (distance) C4'-P energy: -164.953
bonds (distance) P-C4' energy: -149.777
flat angles C4'-P-C4' energy: -200.493
flat angles P-C4'-P energy: -139.035
tors. eta vs tors. theta energy: -238.606
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: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2734.795603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.795603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.655169 (E_RNA)
where:
Base-Base interactions energy: -1891.846
where: short stacking energy: -772.425
Base-Backbone interact. energy: -4.475
local terms energy: -842.334852
where:
bonds (distance) C4'-P energy: -156.263
bonds (distance) P-C4' energy: -162.628
flat angles C4'-P-C4' energy: -191.301
flat angles P-C4'-P energy: -96.263
tors. eta vs tors. theta energy: -235.880
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2583.165571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.165571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.824694 (E_RNA)
where:
Base-Base interactions energy: -1777.110
where: short stacking energy: -730.897
Base-Backbone interact. energy: -3.007
local terms energy: -804.707960
where:
bonds (distance) C4'-P energy: -127.276
bonds (distance) P-C4' energy: -159.317
flat angles C4'-P-C4' energy: -175.737
flat angles P-C4'-P energy: -117.378
tors. eta vs tors. theta energy: -225.000
Dist. restrs. and SS energy: 1.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2380.242334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.242334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.273557 (E_RNA)
where:
Base-Base interactions energy: -1658.180
where: short stacking energy: -686.344
Base-Backbone interact. energy: 3.207
local terms energy: -727.299923
where:
bonds (distance) C4'-P energy: -140.025
bonds (distance) P-C4' energy: -140.870
flat angles C4'-P-C4' energy: -167.931
flat angles P-C4'-P energy: -95.064
tors. eta vs tors. theta energy: -183.410
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: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2167.704007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.704007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.007617 (E_RNA)
where:
Base-Base interactions energy: -1468.108
where: short stacking energy: -651.283
Base-Backbone interact. energy: -1.922
local terms energy: -699.976660
where:
bonds (distance) C4'-P energy: -143.019
bonds (distance) P-C4' energy: -121.359
flat angles C4'-P-C4' energy: -154.912
flat angles P-C4'-P energy: -107.892
tors. eta vs tors. theta energy: -172.795
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: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2094.279594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.279594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.800775 (E_RNA)
where:
Base-Base interactions energy: -1434.480
where: short stacking energy: -610.381
Base-Backbone interact. energy: -2.204
local terms energy: -660.116739
where:
bonds (distance) C4'-P energy: -149.476
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -135.738
flat angles P-C4'-P energy: -80.582
tors. eta vs tors. theta energy: -158.324
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: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1974.396308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.396308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.963406 (E_RNA)
where:
Base-Base interactions energy: -1326.674
where: short stacking energy: -590.465
Base-Backbone interact. energy: -2.825
local terms energy: -651.464759
where:
bonds (distance) C4'-P energy: -118.758
bonds (distance) P-C4' energy: -136.042
flat angles C4'-P-C4' energy: -153.102
flat angles P-C4'-P energy: -95.312
tors. eta vs tors. theta energy: -148.250
Dist. restrs. and SS energy: 6.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1963.597527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.597527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.774644 (E_RNA)
where:
Base-Base interactions energy: -1351.383
where: short stacking energy: -568.060
Base-Backbone interact. energy: -3.826
local terms energy: -610.565719
where:
bonds (distance) C4'-P energy: -122.221
bonds (distance) P-C4' energy: -125.934
flat angles C4'-P-C4' energy: -135.642
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -147.773
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: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1835.811752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.811752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.780439 (E_RNA)
where:
Base-Base interactions energy: -1236.150
where: short stacking energy: -502.428
Base-Backbone interact. energy: 6.161
local terms energy: -611.791001
where:
bonds (distance) C4'-P energy: -122.650
bonds (distance) P-C4' energy: -126.037
flat angles C4'-P-C4' energy: -145.218
flat angles P-C4'-P energy: -93.803
tors. eta vs tors. theta energy: -124.083
Dist. restrs. and SS energy: 5.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2912.924709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.924709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.801510 (E_RNA)
where:
Base-Base interactions energy: -2040.767
where: short stacking energy: -852.532
Base-Backbone interact. energy: -2.208
local terms energy: -871.826096
where:
bonds (distance) C4'-P energy: -155.453
bonds (distance) P-C4' energy: -165.071
flat angles C4'-P-C4' energy: -183.741
flat angles P-C4'-P energy: -123.112
tors. eta vs tors. theta energy: -244.449
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: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2869.152839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.152839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.177962 (E_RNA)
where:
Base-Base interactions energy: -1999.132
where: short stacking energy: -861.611
Base-Backbone interact. energy: 5.179
local terms energy: -877.224771
where:
bonds (distance) C4'-P energy: -165.738
bonds (distance) P-C4' energy: -152.503
flat angles C4'-P-C4' energy: -186.613
flat angles P-C4'-P energy: -121.861
tors. eta vs tors. theta energy: -250.509
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: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2755.081332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.081332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.797728 (E_RNA)
where:
Base-Base interactions energy: -1926.121
where: short stacking energy: -763.742
Base-Backbone interact. energy: -2.570
local terms energy: -829.106609
where:
bonds (distance) C4'-P energy: -141.558
bonds (distance) P-C4' energy: -162.735
flat angles C4'-P-C4' energy: -177.143
flat angles P-C4'-P energy: -127.611
tors. eta vs tors. theta energy: -220.060
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2609.187007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.187007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.497218 (E_RNA)
where:
Base-Base interactions energy: -1800.266
where: short stacking energy: -781.365
Base-Backbone interact. energy: 3.475
local terms energy: -814.706153
where:
bonds (distance) C4'-P energy: -145.078
bonds (distance) P-C4' energy: -146.464
flat angles C4'-P-C4' energy: -184.110
flat angles P-C4'-P energy: -119.626
tors. eta vs tors. theta energy: -219.427
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: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2390.989204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.989204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.623655 (E_RNA)
where:
Base-Base interactions energy: -1636.329
where: short stacking energy: -701.516
Base-Backbone interact. energy: 2.626
local terms energy: -758.921219
where:
bonds (distance) C4'-P energy: -142.059
bonds (distance) P-C4' energy: -150.700
flat angles C4'-P-C4' energy: -160.747
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -201.079
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: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2181.974632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.974632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.911981 (E_RNA)
where:
Base-Base interactions energy: -1477.310
where: short stacking energy: -629.452
Base-Backbone interact. energy: -0.097
local terms energy: -708.505235
where:
bonds (distance) C4'-P energy: -117.155
bonds (distance) P-C4' energy: -164.358
flat angles C4'-P-C4' energy: -155.157
flat angles P-C4'-P energy: -100.382
tors. eta vs tors. theta energy: -171.454
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2105.816228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.816228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.872596 (E_RNA)
where:
Base-Base interactions energy: -1436.615
where: short stacking energy: -593.087
Base-Backbone interact. energy: -1.370
local terms energy: -669.887739
where:
bonds (distance) C4'-P energy: -108.809
bonds (distance) P-C4' energy: -144.317
flat angles C4'-P-C4' energy: -154.890
flat angles P-C4'-P energy: -97.063
tors. eta vs tors. theta energy: -164.808
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: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2036.893697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.893697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.823481 (E_RNA)
where:
Base-Base interactions energy: -1371.236
where: short stacking energy: -570.206
Base-Backbone interact. energy: -3.788
local terms energy: -665.799927
where:
bonds (distance) C4'-P energy: -141.881
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -150.615
flat angles P-C4'-P energy: -93.408
tors. eta vs tors. theta energy: -144.513
Dist. restrs. and SS energy: 3.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1939.995995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.995995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.840929 (E_RNA)
where:
Base-Base interactions energy: -1344.824
where: short stacking energy: -565.605
Base-Backbone interact. energy: -2.035
local terms energy: -595.981427
where:
bonds (distance) C4'-P energy: -118.876
bonds (distance) P-C4' energy: -134.128
flat angles C4'-P-C4' energy: -134.510
flat angles P-C4'-P energy: -83.939
tors. eta vs tors. theta energy: -124.528
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1835.775054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.775054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.756447 (E_RNA)
where:
Base-Base interactions energy: -1240.508
where: short stacking energy: -526.926
Base-Backbone interact. energy: 1.960
local terms energy: -600.209027
where:
bonds (distance) C4'-P energy: -128.631
bonds (distance) P-C4' energy: -134.194
flat angles C4'-P-C4' energy: -130.091
flat angles P-C4'-P energy: -77.938
tors. eta vs tors. theta energy: -129.355
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: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2931.569737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.569737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.156599 (E_RNA)
where:
Base-Base interactions energy: -2044.397
where: short stacking energy: -848.588
Base-Backbone interact. energy: -4.527
local terms energy: -884.232765
where:
bonds (distance) C4'-P energy: -144.805
bonds (distance) P-C4' energy: -155.929
flat angles C4'-P-C4' energy: -188.041
flat angles P-C4'-P energy: -137.600
tors. eta vs tors. theta energy: -257.858
Dist. restrs. and SS energy: 1.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2851.765440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.765440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2853.482427 (E_RNA)
where:
Base-Base interactions energy: -1999.244
where: short stacking energy: -801.909
Base-Backbone interact. energy: 5.137
local terms energy: -859.376090
where:
bonds (distance) C4'-P energy: -158.954
bonds (distance) P-C4' energy: -165.021
flat angles C4'-P-C4' energy: -178.482
flat angles P-C4'-P energy: -117.128
tors. eta vs tors. theta energy: -239.791
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: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2682.325786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.325786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.972410 (E_RNA)
where:
Base-Base interactions energy: -1868.496
where: short stacking energy: -762.259
Base-Backbone interact. energy: -3.614
local terms energy: -812.863048
where:
bonds (distance) C4'-P energy: -144.616
bonds (distance) P-C4' energy: -145.142
flat angles C4'-P-C4' energy: -181.480
flat angles P-C4'-P energy: -124.228
tors. eta vs tors. theta energy: -217.397
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2584.030378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.030378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.140475 (E_RNA)
where:
Base-Base interactions energy: -1771.561
where: short stacking energy: -755.725
Base-Backbone interact. energy: -2.647
local terms energy: -811.932841
where:
bonds (distance) C4'-P energy: -151.702
bonds (distance) P-C4' energy: -161.572
flat angles C4'-P-C4' energy: -176.131
flat angles P-C4'-P energy: -113.397
tors. eta vs tors. theta energy: -209.131
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2343.773845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.773845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.698653 (E_RNA)
where:
Base-Base interactions energy: -1604.838
where: short stacking energy: -696.772
Base-Backbone interact. energy: 4.393
local terms energy: -747.253500
where:
bonds (distance) C4'-P energy: -137.653
bonds (distance) P-C4' energy: -147.256
flat angles C4'-P-C4' energy: -161.087
flat angles P-C4'-P energy: -103.268
tors. eta vs tors. theta energy: -197.989
Dist. restrs. and SS energy: 3.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2168.165213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.165213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.136851 (E_RNA)
where:
Base-Base interactions energy: -1469.800
where: short stacking energy: -631.655
Base-Backbone interact. energy: 1.274
local terms energy: -701.610520
where:
bonds (distance) C4'-P energy: -132.995
bonds (distance) P-C4' energy: -163.303
flat angles C4'-P-C4' energy: -147.263
flat angles P-C4'-P energy: -103.545
tors. eta vs tors. theta energy: -154.504
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2102.917039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.917039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.286384 (E_RNA)
where:
Base-Base interactions energy: -1404.435
where: short stacking energy: -596.607
Base-Backbone interact. energy: -3.003
local terms energy: -698.848684
where:
bonds (distance) C4'-P energy: -139.086
bonds (distance) P-C4' energy: -154.597
flat angles C4'-P-C4' energy: -153.475
flat angles P-C4'-P energy: -92.281
tors. eta vs tors. theta energy: -159.410
Dist. restrs. and SS energy: 3.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2011.785206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.785206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.285603 (E_RNA)
where:
Base-Base interactions energy: -1350.316
where: short stacking energy: -579.730
Base-Backbone interact. energy: -0.386
local terms energy: -665.583481
where:
bonds (distance) C4'-P energy: -130.890
bonds (distance) P-C4' energy: -122.998
flat angles C4'-P-C4' energy: -149.634
flat angles P-C4'-P energy: -101.248
tors. eta vs tors. theta energy: -160.813
Dist. restrs. and SS energy: 4.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1974.023322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.023322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.038117 (E_RNA)
where:
Base-Base interactions energy: -1346.282
where: short stacking energy: -562.618
Base-Backbone interact. energy: -1.951
local terms energy: -629.804989
where:
bonds (distance) C4'-P energy: -127.972
bonds (distance) P-C4' energy: -118.492
flat angles C4'-P-C4' energy: -148.328
flat angles P-C4'-P energy: -89.982
tors. eta vs tors. theta energy: -145.031
Dist. restrs. and SS energy: 4.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1894.021061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.021061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.812536 (E_RNA)
where:
Base-Base interactions energy: -1306.795
where: short stacking energy: -557.304
Base-Backbone interact. energy: 3.463
local terms energy: -595.481228
where:
bonds (distance) C4'-P energy: -115.190
bonds (distance) P-C4' energy: -138.614
flat angles C4'-P-C4' energy: -133.052
flat angles P-C4'-P energy: -88.028
tors. eta vs tors. theta energy: -120.598
Dist. restrs. and SS energy: 4.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2920.397170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.397170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.782890 (E_RNA)
where:
Base-Base interactions energy: -2035.194
where: short stacking energy: -826.255
Base-Backbone interact. energy: -0.751
local terms energy: -885.837650
where:
bonds (distance) C4'-P energy: -150.749
bonds (distance) P-C4' energy: -166.905
flat angles C4'-P-C4' energy: -189.456
flat angles P-C4'-P energy: -121.167
tors. eta vs tors. theta energy: -257.560
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2849.766322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2849.766322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2850.661709 (E_RNA)
where:
Base-Base interactions energy: -1986.462
where: short stacking energy: -797.873
Base-Backbone interact. energy: -3.776
local terms energy: -860.423542
where:
bonds (distance) C4'-P energy: -149.626
bonds (distance) P-C4' energy: -176.376
flat angles C4'-P-C4' energy: -175.146
flat angles P-C4'-P energy: -122.181
tors. eta vs tors. theta energy: -237.094
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2738.748787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.748787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.954624 (E_RNA)
where:
Base-Base interactions energy: -1903.662
where: short stacking energy: -777.932
Base-Backbone interact. energy: -1.556
local terms energy: -835.736074
where:
bonds (distance) C4'-P energy: -162.211
bonds (distance) P-C4' energy: -159.257
flat angles C4'-P-C4' energy: -171.027
flat angles P-C4'-P energy: -114.774
tors. eta vs tors. theta energy: -228.468
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: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2592.651776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.651776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.435811 (E_RNA)
where:
Base-Base interactions energy: -1768.159
where: short stacking energy: -745.658
Base-Backbone interact. energy: -2.539
local terms energy: -824.738593
where:
bonds (distance) C4'-P energy: -146.845
bonds (distance) P-C4' energy: -152.523
flat angles C4'-P-C4' energy: -170.895
flat angles P-C4'-P energy: -123.155
tors. eta vs tors. theta energy: -231.320
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: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2381.458930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.458930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.214580 (E_RNA)
where:
Base-Base interactions energy: -1638.226
where: short stacking energy: -688.586
Base-Backbone interact. energy: -3.673
local terms energy: -741.315135
where:
bonds (distance) C4'-P energy: -141.275
bonds (distance) P-C4' energy: -148.354
flat angles C4'-P-C4' energy: -153.417
flat angles P-C4'-P energy: -97.191
tors. eta vs tors. theta energy: -201.077
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2162.168626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.168626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.184616 (E_RNA)
where:
Base-Base interactions energy: -1450.596
where: short stacking energy: -628.361
Base-Backbone interact. energy: -1.564
local terms energy: -712.024967
where:
bonds (distance) C4'-P energy: -137.506
bonds (distance) P-C4' energy: -155.204
flat angles C4'-P-C4' energy: -158.582
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -171.290
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2115.035104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.035104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.596986 (E_RNA)
where:
Base-Base interactions energy: -1406.176
where: short stacking energy: -593.300
Base-Backbone interact. energy: -0.776
local terms energy: -710.645262
where:
bonds (distance) C4'-P energy: -134.604
bonds (distance) P-C4' energy: -154.367
flat angles C4'-P-C4' energy: -161.912
flat angles P-C4'-P energy: -100.977
tors. eta vs tors. theta energy: -158.786
Dist. restrs. and SS energy: 2.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2080.001492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.001492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.193445 (E_RNA)
where:
Base-Base interactions energy: -1397.179
where: short stacking energy: -590.129
Base-Backbone interact. energy: -2.584
local terms energy: -682.430495
where:
bonds (distance) C4'-P energy: -124.321
bonds (distance) P-C4' energy: -131.260
flat angles C4'-P-C4' energy: -161.428
flat angles P-C4'-P energy: -113.916
tors. eta vs tors. theta energy: -151.506
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: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1888.341746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.341746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.296275 (E_RNA)
where:
Base-Base interactions energy: -1292.130
where: short stacking energy: -519.439
Base-Backbone interact. energy: 5.726
local terms energy: -604.892688
where:
bonds (distance) C4'-P energy: -122.342
bonds (distance) P-C4' energy: -142.022
flat angles C4'-P-C4' energy: -129.870
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -130.625
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1891.102327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.102327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.629761 (E_RNA)
where:
Base-Base interactions energy: -1334.661
where: short stacking energy: -562.174
Base-Backbone interact. energy: -2.025
local terms energy: -557.943502
where:
bonds (distance) C4'-P energy: -92.210
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -162.566
flat angles P-C4'-P energy: -74.056
tors. eta vs tors. theta energy: -142.050
Dist. restrs. and SS energy: 3.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2927.080560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.080560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.868653 (E_RNA)
where:
Base-Base interactions energy: -2030.494
where: short stacking energy: -859.703
Base-Backbone interact. energy: -4.807
local terms energy: -893.568079
where:
bonds (distance) C4'-P energy: -158.202
bonds (distance) P-C4' energy: -158.743
flat angles C4'-P-C4' energy: -189.094
flat angles P-C4'-P energy: -124.330
tors. eta vs tors. theta energy: -263.200
Dist. restrs. and SS energy: 1.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2806.168359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.168359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.469832 (E_RNA)
where:
Base-Base interactions energy: -1927.611
where: short stacking energy: -783.794
Base-Backbone interact. energy: -5.031
local terms energy: -874.827809
where:
bonds (distance) C4'-P energy: -158.169
bonds (distance) P-C4' energy: -166.942
flat angles C4'-P-C4' energy: -191.529
flat angles P-C4'-P energy: -123.055
tors. eta vs tors. theta energy: -235.132
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2777.847961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.847961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.273986 (E_RNA)
where:
Base-Base interactions energy: -1957.382
where: short stacking energy: -793.739
Base-Backbone interact. energy: -1.450
local terms energy: -821.441949
where:
bonds (distance) C4'-P energy: -146.930
bonds (distance) P-C4' energy: -161.161
flat angles C4'-P-C4' energy: -176.836
flat angles P-C4'-P energy: -100.087
tors. eta vs tors. theta energy: -236.429
Dist. restrs. and SS energy: 2.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2562.542603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.542603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.930371 (E_RNA)
where:
Base-Base interactions energy: -1779.778
where: short stacking energy: -760.623
Base-Backbone interact. energy: -4.893
local terms energy: -781.259525
where:
bonds (distance) C4'-P energy: -153.868
bonds (distance) P-C4' energy: -127.627
flat angles C4'-P-C4' energy: -172.748
flat angles P-C4'-P energy: -100.499
tors. eta vs tors. theta energy: -226.517
Dist. restrs. and SS energy: 3.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2407.984060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.984060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.756773 (E_RNA)
where:
Base-Base interactions energy: -1630.280
where: short stacking energy: -691.593
Base-Backbone interact. energy: -3.198
local terms energy: -777.278358
where:
bonds (distance) C4'-P energy: -146.263
bonds (distance) P-C4' energy: -151.783
flat angles C4'-P-C4' energy: -178.068
flat angles P-C4'-P energy: -94.566
tors. eta vs tors. theta energy: -206.598
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2140.147301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.147301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.853313 (E_RNA)
where:
Base-Base interactions energy: -1433.049
where: short stacking energy: -646.712
Base-Backbone interact. energy: 1.306
local terms energy: -711.110134
where:
bonds (distance) C4'-P energy: -153.277
bonds (distance) P-C4' energy: -143.393
flat angles C4'-P-C4' energy: -149.451
flat angles P-C4'-P energy: -96.832
tors. eta vs tors. theta energy: -168.158
Dist. restrs. and SS energy: 2.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -2054.008346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.008346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.184804 (E_RNA)
where:
Base-Base interactions energy: -1411.988
where: short stacking energy: -600.438
Base-Backbone interact. energy: 0.512
local terms energy: -644.708738
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -149.611
flat angles C4'-P-C4' energy: -130.938
flat angles P-C4'-P energy: -86.780
tors. eta vs tors. theta energy: -151.014
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: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2019.195465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.195465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.455605 (E_RNA)
where:
Base-Base interactions energy: -1365.972
where: short stacking energy: -590.026
Base-Backbone interact. energy: 1.416
local terms energy: -656.899726
where:
bonds (distance) C4'-P energy: -144.319
bonds (distance) P-C4' energy: -148.790
flat angles C4'-P-C4' energy: -134.724
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -151.940
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1874.053946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.053946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.198069 (E_RNA)
where:
Base-Base interactions energy: -1265.728
where: short stacking energy: -549.477
Base-Backbone interact. energy: -0.407
local terms energy: -611.062168
where:
bonds (distance) C4'-P energy: -126.706
bonds (distance) P-C4' energy: -131.890
flat angles C4'-P-C4' energy: -136.412
flat angles P-C4'-P energy: -90.219
tors. eta vs tors. theta energy: -125.836
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1820.851511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.851511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.706866 (E_RNA)
where:
Base-Base interactions energy: -1267.254
where: short stacking energy: -527.546
Base-Backbone interact. energy: 3.519
local terms energy: -559.971899
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -131.215
flat angles C4'-P-C4' energy: -137.811
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -115.649
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2914.390946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.390946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.433695 (E_RNA)
where:
Base-Base interactions energy: -2040.064
where: short stacking energy: -855.655
Base-Backbone interact. energy: 0.332
local terms energy: -875.701691
where:
bonds (distance) C4'-P energy: -164.384
bonds (distance) P-C4' energy: -155.082
flat angles C4'-P-C4' energy: -178.333
flat angles P-C4'-P energy: -126.080
tors. eta vs tors. theta energy: -251.822
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: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2854.729877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.729877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.274165 (E_RNA)
where:
Base-Base interactions energy: -1959.530
where: short stacking energy: -797.925
Base-Backbone interact. energy: -0.250
local terms energy: -896.493949
where:
bonds (distance) C4'-P energy: -166.776
bonds (distance) P-C4' energy: -168.113
flat angles C4'-P-C4' energy: -186.961
flat angles P-C4'-P energy: -135.644
tors. eta vs tors. theta energy: -239.000
Dist. restrs. and SS energy: 1.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2776.529443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.529443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.963641 (E_RNA)
where:
Base-Base interactions energy: -1954.710
where: short stacking energy: -782.973
Base-Backbone interact. energy: -1.311
local terms energy: -821.942545
where:
bonds (distance) C4'-P energy: -161.723
bonds (distance) P-C4' energy: -132.879
flat angles C4'-P-C4' energy: -175.293
flat angles P-C4'-P energy: -129.076
tors. eta vs tors. theta energy: -222.971
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2506.093508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.093508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.874881 (E_RNA)
where:
Base-Base interactions energy: -1731.155
where: short stacking energy: -733.059
Base-Backbone interact. energy: -5.056
local terms energy: -772.663709
where:
bonds (distance) C4'-P energy: -136.227
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -169.977
flat angles P-C4'-P energy: -115.569
tors. eta vs tors. theta energy: -216.048
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: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2421.620941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.620941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.647845 (E_RNA)
where:
Base-Base interactions energy: -1658.389
where: short stacking energy: -724.022
Base-Backbone interact. energy: -1.114
local terms energy: -764.144934
where:
bonds (distance) C4'-P energy: -133.173
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -169.957
flat angles P-C4'-P energy: -108.625
tors. eta vs tors. theta energy: -199.767
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: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2192.629898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.629898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.990528 (E_RNA)
where:
Base-Base interactions energy: -1478.812
where: short stacking energy: -641.020
Base-Backbone interact. energy: -0.930
local terms energy: -715.248728
where:
bonds (distance) C4'-P energy: -136.269
bonds (distance) P-C4' energy: -131.412
flat angles C4'-P-C4' energy: -156.124
flat angles P-C4'-P energy: -111.135
tors. eta vs tors. theta energy: -180.308
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2072.644993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.644993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.826925 (E_RNA)
where:
Base-Base interactions energy: -1394.621
where: short stacking energy: -624.712
Base-Backbone interact. energy: 0.294
local terms energy: -680.499889
where:
bonds (distance) C4'-P energy: -138.392
bonds (distance) P-C4' energy: -132.277
flat angles C4'-P-C4' energy: -156.975
flat angles P-C4'-P energy: -108.503
tors. eta vs tors. theta energy: -144.353
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2008.502604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.502604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.700647 (E_RNA)
where:
Base-Base interactions energy: -1327.360
where: short stacking energy: -568.198
Base-Backbone interact. energy: 1.223
local terms energy: -685.563654
where:
bonds (distance) C4'-P energy: -135.471
bonds (distance) P-C4' energy: -148.210
flat angles C4'-P-C4' energy: -157.029
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -154.479
Dist. restrs. and SS energy: 3.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1942.925839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.925839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.484938 (E_RNA)
where:
Base-Base interactions energy: -1332.495
where: short stacking energy: -533.848
Base-Backbone interact. energy: 0.472
local terms energy: -612.461805
where:
bonds (distance) C4'-P energy: -123.703
bonds (distance) P-C4' energy: -136.240
flat angles C4'-P-C4' energy: -130.396
flat angles P-C4'-P energy: -100.767
tors. eta vs tors. theta energy: -121.356
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1810.595590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.595590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.365238 (E_RNA)
where:
Base-Base interactions energy: -1211.184
where: short stacking energy: -503.670
Base-Backbone interact. energy: 3.656
local terms energy: -607.837520
where:
bonds (distance) C4'-P energy: -121.997
bonds (distance) P-C4' energy: -144.746
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -122.377
Dist. restrs. and SS energy: 4.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2933.957939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.957939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.783994 (E_RNA)
where:
Base-Base interactions energy: -2032.522
where: short stacking energy: -837.094
Base-Backbone interact. energy: -2.818
local terms energy: -899.443456
where:
bonds (distance) C4'-P energy: -171.204
bonds (distance) P-C4' energy: -146.385
flat angles C4'-P-C4' energy: -196.734
flat angles P-C4'-P energy: -127.399
tors. eta vs tors. theta energy: -257.722
Dist. restrs. and SS energy: 0.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2823.691156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.691156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.672991 (E_RNA)
where:
Base-Base interactions energy: -1994.356
where: short stacking energy: -818.916
Base-Backbone interact. energy: 3.458
local terms energy: -834.775121
where:
bonds (distance) C4'-P energy: -140.801
bonds (distance) P-C4' energy: -151.705
flat angles C4'-P-C4' energy: -182.842
flat angles P-C4'-P energy: -112.174
tors. eta vs tors. theta energy: -247.252
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: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2723.062257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.062257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.593918 (E_RNA)
where:
Base-Base interactions energy: -1901.543
where: short stacking energy: -795.468
Base-Backbone interact. energy: 3.946
local terms energy: -826.996896
where:
bonds (distance) C4'-P energy: -151.128
bonds (distance) P-C4' energy: -141.084
flat angles C4'-P-C4' energy: -181.301
flat angles P-C4'-P energy: -104.591
tors. eta vs tors. theta energy: -248.893
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: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2539.635429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.635429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.543122 (E_RNA)
where:
Base-Base interactions energy: -1753.564
where: short stacking energy: -754.593
Base-Backbone interact. energy: 2.443
local terms energy: -791.422826
where:
bonds (distance) C4'-P energy: -156.069
bonds (distance) P-C4' energy: -131.050
flat angles C4'-P-C4' energy: -186.612
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -209.812
Dist. restrs. and SS energy: 2.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2419.385920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.385920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.649995 (E_RNA)
where:
Base-Base interactions energy: -1636.462
where: short stacking energy: -719.803
Base-Backbone interact. energy: 1.211
local terms energy: -785.398489
where:
bonds (distance) C4'-P energy: -136.779
bonds (distance) P-C4' energy: -149.459
flat angles C4'-P-C4' energy: -180.474
flat angles P-C4'-P energy: -116.954
tors. eta vs tors. theta energy: -201.734
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2160.016186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.016186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.504180 (E_RNA)
where:
Base-Base interactions energy: -1426.024
where: short stacking energy: -642.407
Base-Backbone interact. energy: -0.899
local terms energy: -735.581133
where:
bonds (distance) C4'-P energy: -140.751
bonds (distance) P-C4' energy: -139.645
flat angles C4'-P-C4' energy: -168.527
flat angles P-C4'-P energy: -115.209
tors. eta vs tors. theta energy: -171.449
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: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2118.917110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.917110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.217553 (E_RNA)
where:
Base-Base interactions energy: -1414.912
where: short stacking energy: -601.369
Base-Backbone interact. energy: 0.647
local terms energy: -705.953007
where:
bonds (distance) C4'-P energy: -141.227
bonds (distance) P-C4' energy: -144.421
flat angles C4'-P-C4' energy: -156.974
flat angles P-C4'-P energy: -93.935
tors. eta vs tors. theta energy: -169.396
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2001.016959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.016959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.742092 (E_RNA)
where:
Base-Base interactions energy: -1361.621
where: short stacking energy: -594.785
Base-Backbone interact. energy: -3.227
local terms energy: -638.894661
where:
bonds (distance) C4'-P energy: -122.877
bonds (distance) P-C4' energy: -121.272
flat angles C4'-P-C4' energy: -145.430
flat angles P-C4'-P energy: -90.903
tors. eta vs tors. theta energy: -158.412
Dist. restrs. and SS energy: 2.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1923.286288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.286288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.597466 (E_RNA)
where:
Base-Base interactions energy: -1261.884
where: short stacking energy: -525.075
Base-Backbone interact. energy: -3.213
local terms energy: -661.500670
where:
bonds (distance) C4'-P energy: -160.275
bonds (distance) P-C4' energy: -131.684
flat angles C4'-P-C4' energy: -145.366
flat angles P-C4'-P energy: -92.710
tors. eta vs tors. theta energy: -131.466
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1855.046348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.046348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.411151 (E_RNA)
where:
Base-Base interactions energy: -1249.893
where: short stacking energy: -526.122
Base-Backbone interact. energy: 3.347
local terms energy: -610.865007
where:
bonds (distance) C4'-P energy: -114.201
bonds (distance) P-C4' energy: -134.937
flat angles C4'-P-C4' energy: -132.619
flat angles P-C4'-P energy: -84.522
tors. eta vs tors. theta energy: -144.587
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: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2919.342953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.342953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.992215 (E_RNA)
where:
Base-Base interactions energy: -2048.094
where: short stacking energy: -839.141
Base-Backbone interact. energy: -1.313
local terms energy: -871.585211
where:
bonds (distance) C4'-P energy: -159.725
bonds (distance) P-C4' energy: -146.565
flat angles C4'-P-C4' energy: -180.643
flat angles P-C4'-P energy: -124.290
tors. eta vs tors. theta energy: -260.362
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: 434
Temperature: 0.950000
Total energy: -2810.742042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.742042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.773184 (E_RNA)
where:
Base-Base interactions energy: -1940.613
where: short stacking energy: -818.951
Base-Backbone interact. energy: -1.572
local terms energy: -869.589056
where:
bonds (distance) C4'-P energy: -166.030
bonds (distance) P-C4' energy: -152.711
flat angles C4'-P-C4' energy: -183.847
flat angles P-C4'-P energy: -128.839
tors. eta vs tors. theta energy: -238.161
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: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2769.884825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.884825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.379966 (E_RNA)
where:
Base-Base interactions energy: -1920.929
where: short stacking energy: -782.834
Base-Backbone interact. energy: -5.827
local terms energy: -844.624137
where:
bonds (distance) C4'-P energy: -150.439
bonds (distance) P-C4' energy: -148.983
flat angles C4'-P-C4' energy: -188.292
flat angles P-C4'-P energy: -122.882
tors. eta vs tors. theta energy: -234.028
Dist. restrs. and SS energy: 1.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2557.510549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.510549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.989395 (E_RNA)
where:
Base-Base interactions energy: -1769.667
where: short stacking energy: -755.707
Base-Backbone interact. energy: -2.244
local terms energy: -787.078154
where:
bonds (distance) C4'-P energy: -142.989
bonds (distance) P-C4' energy: -143.832
flat angles C4'-P-C4' energy: -173.615
flat angles P-C4'-P energy: -105.096
tors. eta vs tors. theta energy: -221.546
Dist. restrs. and SS energy: 1.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2371.599504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.599504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.582293 (E_RNA)
where:
Base-Base interactions energy: -1625.235
where: short stacking energy: -708.788
Base-Backbone interact. energy: -3.152
local terms energy: -745.195714
where:
bonds (distance) C4'-P energy: -140.497
bonds (distance) P-C4' energy: -146.058
flat angles C4'-P-C4' energy: -151.420
flat angles P-C4'-P energy: -106.005
tors. eta vs tors. theta energy: -201.216
Dist. restrs. and SS energy: 1.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2188.903604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.903604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.918045 (E_RNA)
where:
Base-Base interactions energy: -1495.678
where: short stacking energy: -656.066
Base-Backbone interact. energy: 1.937
local terms energy: -698.177280
where:
bonds (distance) C4'-P energy: -128.063
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -168.947
flat angles P-C4'-P energy: -98.454
tors. eta vs tors. theta energy: -171.598
Dist. restrs. and SS energy: 3.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -2077.408174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.408174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.554529 (E_RNA)
where:
Base-Base interactions energy: -1414.748
where: short stacking energy: -615.940
Base-Backbone interact. energy: 4.295
local terms energy: -669.100764
where:
bonds (distance) C4'-P energy: -115.176
bonds (distance) P-C4' energy: -142.984
flat angles C4'-P-C4' energy: -166.817
flat angles P-C4'-P energy: -96.026
tors. eta vs tors. theta energy: -148.098
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: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2016.032085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.032085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.103721 (E_RNA)
where:
Base-Base interactions energy: -1371.533
where: short stacking energy: -585.815
Base-Backbone interact. energy: -2.354
local terms energy: -644.217451
where:
bonds (distance) C4'-P energy: -130.898
bonds (distance) P-C4' energy: -136.546
flat angles C4'-P-C4' energy: -150.105
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -153.028
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: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1939.415976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.415976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.026814 (E_RNA)
where:
Base-Base interactions energy: -1338.339
where: short stacking energy: -572.935
Base-Backbone interact. energy: 0.643
local terms energy: -605.331666
where:
bonds (distance) C4'-P energy: -129.923
bonds (distance) P-C4' energy: -118.917
flat angles C4'-P-C4' energy: -148.028
flat angles P-C4'-P energy: -81.054
tors. eta vs tors. theta energy: -127.410
Dist. restrs. and SS energy: 3.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1929.803630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.803630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.637597 (E_RNA)
where:
Base-Base interactions energy: -1318.948
where: short stacking energy: -545.499
Base-Backbone interact. energy: -1.201
local terms energy: -611.489026
where:
bonds (distance) C4'-P energy: -126.508
bonds (distance) P-C4' energy: -112.635
flat angles C4'-P-C4' energy: -144.263
flat angles P-C4'-P energy: -86.546
tors. eta vs tors. theta energy: -141.537
Dist. restrs. and SS energy: 1.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2926.568875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.568875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.170925 (E_RNA)
where:
Base-Base interactions energy: -2061.616
where: short stacking energy: -865.165
Base-Backbone interact. energy: -2.279
local terms energy: -864.276055
where:
bonds (distance) C4'-P energy: -163.100
bonds (distance) P-C4' energy: -158.439
flat angles C4'-P-C4' energy: -169.113
flat angles P-C4'-P energy: -122.534
tors. eta vs tors. theta energy: -251.091
Dist. restrs. and SS energy: 1.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2824.547155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.547155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.707845 (E_RNA)
where:
Base-Base interactions energy: -1961.064
where: short stacking energy: -810.042
Base-Backbone interact. energy: -2.153
local terms energy: -862.490399
where:
bonds (distance) C4'-P energy: -158.697
bonds (distance) P-C4' energy: -163.126
flat angles C4'-P-C4' energy: -182.098
flat angles P-C4'-P energy: -116.683
tors. eta vs tors. theta energy: -241.886
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: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2729.494742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.494742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.118524 (E_RNA)
where:
Base-Base interactions energy: -1888.760
where: short stacking energy: -776.691
Base-Backbone interact. energy: 5.655
local terms energy: -848.013129
where:
bonds (distance) C4'-P energy: -156.302
bonds (distance) P-C4' energy: -159.458
flat angles C4'-P-C4' energy: -180.406
flat angles P-C4'-P energy: -117.131
tors. eta vs tors. theta energy: -234.717
Dist. restrs. and SS energy: 1.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2530.539130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.539130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.927217 (E_RNA)
where:
Base-Base interactions energy: -1727.408
where: short stacking energy: -730.349
Base-Backbone interact. energy: -1.141
local terms energy: -803.377717
where:
bonds (distance) C4'-P energy: -151.258
bonds (distance) P-C4' energy: -151.832
flat angles C4'-P-C4' energy: -175.696
flat angles P-C4'-P energy: -110.601
tors. eta vs tors. theta energy: -213.991
Dist. restrs. and SS energy: 1.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2366.726594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.726594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.459361 (E_RNA)
where:
Base-Base interactions energy: -1631.017
where: short stacking energy: -695.645
Base-Backbone interact. energy: 5.920
local terms energy: -743.362449
where:
bonds (distance) C4'-P energy: -146.809
bonds (distance) P-C4' energy: -135.983
flat angles C4'-P-C4' energy: -166.658
flat angles P-C4'-P energy: -105.540
tors. eta vs tors. theta energy: -188.373
Dist. restrs. and SS energy: 1.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2191.257376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.946956 (E_RNA)
where:
Base-Base interactions energy: -1482.600
where: short stacking energy: -636.984
Base-Backbone interact. energy: 0.682
local terms energy: -712.028484
where:
bonds (distance) C4'-P energy: -137.001
bonds (distance) P-C4' energy: -147.656
flat angles C4'-P-C4' energy: -159.893
flat angles P-C4'-P energy: -92.180
tors. eta vs tors. theta energy: -175.299
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2102.323477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.323477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.651463 (E_RNA)
where:
Base-Base interactions energy: -1432.392
where: short stacking energy: -612.635
Base-Backbone interact. energy: 0.016
local terms energy: -673.275844
where:
bonds (distance) C4'-P energy: -143.065
bonds (distance) P-C4' energy: -130.068
flat angles C4'-P-C4' energy: -150.339
flat angles P-C4'-P energy: -93.563
tors. eta vs tors. theta energy: -156.242
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2024.829404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.829404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.862356 (E_RNA)
where:
Base-Base interactions energy: -1389.035
where: short stacking energy: -575.113
Base-Backbone interact. energy: 9.683
local terms energy: -647.510471
where:
bonds (distance) C4'-P energy: -125.778
bonds (distance) P-C4' energy: -139.945
flat angles C4'-P-C4' energy: -130.881
flat angles P-C4'-P energy: -102.070
tors. eta vs tors. theta energy: -148.836
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: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1954.626022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.626022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.478383 (E_RNA)
where:
Base-Base interactions energy: -1289.648
where: short stacking energy: -559.753
Base-Backbone interact. energy: -1.995
local terms energy: -665.835158
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -145.396
flat angles C4'-P-C4' energy: -155.548
flat angles P-C4'-P energy: -95.791
tors. eta vs tors. theta energy: -146.593
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: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1865.416920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.416920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.247280 (E_RNA)
where:
Base-Base interactions energy: -1248.185
where: short stacking energy: -523.013
Base-Backbone interact. energy: -1.163
local terms energy: -620.898511
where:
bonds (distance) C4'-P energy: -116.907
bonds (distance) P-C4' energy: -143.887
flat angles C4'-P-C4' energy: -132.617
flat angles P-C4'-P energy: -97.417
tors. eta vs tors. theta energy: -130.071
Dist. restrs. and SS energy: 4.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2922.168811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.168811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.408981 (E_RNA)
where:
Base-Base interactions energy: -2060.255
where: short stacking energy: -830.945
Base-Backbone interact. energy: -2.501
local terms energy: -860.653001
where:
bonds (distance) C4'-P energy: -174.235
bonds (distance) P-C4' energy: -159.708
flat angles C4'-P-C4' energy: -173.691
flat angles P-C4'-P energy: -108.738
tors. eta vs tors. theta energy: -244.282
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: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2825.201321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.201321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.146840 (E_RNA)
where:
Base-Base interactions energy: -1963.655
where: short stacking energy: -821.163
Base-Backbone interact. energy: -2.177
local terms energy: -861.315535
where:
bonds (distance) C4'-P energy: -149.632
bonds (distance) P-C4' energy: -157.136
flat angles C4'-P-C4' energy: -187.620
flat angles P-C4'-P energy: -133.479
tors. eta vs tors. theta energy: -233.448
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2727.168657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.168657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.838679 (E_RNA)
where:
Base-Base interactions energy: -1883.827
where: short stacking energy: -772.262
Base-Backbone interact. energy: -1.151
local terms energy: -844.860769
where:
bonds (distance) C4'-P energy: -160.453
bonds (distance) P-C4' energy: -149.149
flat angles C4'-P-C4' energy: -179.228
flat angles P-C4'-P energy: -125.478
tors. eta vs tors. theta energy: -230.553
Dist. restrs. and SS energy: 2.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2517.715466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.715466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.102924 (E_RNA)
where:
Base-Base interactions energy: -1734.153
where: short stacking energy: -723.487
Base-Backbone interact. energy: -1.040
local terms energy: -783.909623
where:
bonds (distance) C4'-P energy: -158.195
bonds (distance) P-C4' energy: -153.347
flat angles C4'-P-C4' energy: -169.645
flat angles P-C4'-P energy: -103.069
tors. eta vs tors. theta energy: -199.653
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2366.786184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.786184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.485306 (E_RNA)
where:
Base-Base interactions energy: -1621.909
where: short stacking energy: -710.860
Base-Backbone interact. energy: 6.336
local terms energy: -753.911907
where:
bonds (distance) C4'-P energy: -134.843
bonds (distance) P-C4' energy: -151.411
flat angles C4'-P-C4' energy: -147.006
flat angles P-C4'-P energy: -110.664
tors. eta vs tors. theta energy: -209.988
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2129.514604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.514604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.224976 (E_RNA)
where:
Base-Base interactions energy: -1436.673
where: short stacking energy: -611.638
Base-Backbone interact. energy: -0.883
local terms energy: -694.668911
where:
bonds (distance) C4'-P energy: -119.136
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -164.426
flat angles P-C4'-P energy: -99.604
tors. eta vs tors. theta energy: -164.881
Dist. restrs. and SS energy: 2.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -2113.641665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.641665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.415893 (E_RNA)
where:
Base-Base interactions energy: -1427.700
where: short stacking energy: -608.794
Base-Backbone interact. energy: -1.523
local terms energy: -687.192426
where:
bonds (distance) C4'-P energy: -143.104
bonds (distance) P-C4' energy: -120.617
flat angles C4'-P-C4' energy: -149.222
flat angles P-C4'-P energy: -100.789
tors. eta vs tors. theta energy: -173.461
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2005.436070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.436070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.973048 (E_RNA)
where:
Base-Base interactions energy: -1384.585
where: short stacking energy: -599.915
Base-Backbone interact. energy: 0.787
local terms energy: -625.174383
where:
bonds (distance) C4'-P energy: -112.627
bonds (distance) P-C4' energy: -131.407
flat angles C4'-P-C4' energy: -157.127
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -158.212
Dist. restrs. and SS energy: 3.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1961.844373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.844373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.347720 (E_RNA)
where:
Base-Base interactions energy: -1326.364
where: short stacking energy: -560.431
Base-Backbone interact. energy: 1.264
local terms energy: -640.247241
where:
bonds (distance) C4'-P energy: -133.264
bonds (distance) P-C4' energy: -149.262
flat angles C4'-P-C4' energy: -126.347
flat angles P-C4'-P energy: -86.390
tors. eta vs tors. theta energy: -144.984
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: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -1885.018722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.018722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.165727 (E_RNA)
where:
Base-Base interactions energy: -1282.668
where: short stacking energy: -551.578
Base-Backbone interact. energy: 3.248
local terms energy: -607.746162
where:
bonds (distance) C4'-P energy: -117.714
bonds (distance) P-C4' energy: -132.000
flat angles C4'-P-C4' energy: -144.543
flat angles P-C4'-P energy: -73.773
tors. eta vs tors. theta energy: -139.717
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: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2964.217095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2964.217095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.683112 (E_RNA)
where:
Base-Base interactions energy: -2045.073
where: short stacking energy: -844.339
Base-Backbone interact. energy: -3.588
local terms energy: -917.022110
where:
bonds (distance) C4'-P energy: -167.080
bonds (distance) P-C4' energy: -173.886
flat angles C4'-P-C4' energy: -191.068
flat angles P-C4'-P energy: -130.260
tors. eta vs tors. theta energy: -254.728
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: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2828.085333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.085333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.304702 (E_RNA)
where:
Base-Base interactions energy: -1955.349
where: short stacking energy: -802.314
Base-Backbone interact. energy: -4.700
local terms energy: -869.254974
where:
bonds (distance) C4'-P energy: -167.523
bonds (distance) P-C4' energy: -154.230
flat angles C4'-P-C4' energy: -178.777
flat angles P-C4'-P energy: -129.601
tors. eta vs tors. theta energy: -239.125
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: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2764.842903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.842903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.156705 (E_RNA)
where:
Base-Base interactions energy: -1939.421
where: short stacking energy: -799.592
Base-Backbone interact. energy: -2.051
local terms energy: -824.684502
where:
bonds (distance) C4'-P energy: -161.315
bonds (distance) P-C4' energy: -158.691
flat angles C4'-P-C4' energy: -175.459
flat angles P-C4'-P energy: -99.567
tors. eta vs tors. theta energy: -229.652
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: 437
Temperature: 1.050000
Total energy: -2534.301405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.301405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.107748 (E_RNA)
where:
Base-Base interactions energy: -1740.258
where: short stacking energy: -727.197
Base-Backbone interact. energy: -1.641
local terms energy: -794.208876
where:
bonds (distance) C4'-P energy: -150.095
bonds (distance) P-C4' energy: -122.152
flat angles C4'-P-C4' energy: -179.720
flat angles P-C4'-P energy: -125.051
tors. eta vs tors. theta energy: -217.190
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2372.711812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.711812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.833923 (E_RNA)
where:
Base-Base interactions energy: -1633.774
where: short stacking energy: -716.267
Base-Backbone interact. energy: 9.742
local terms energy: -749.801606
where:
bonds (distance) C4'-P energy: -144.542
bonds (distance) P-C4' energy: -127.576
flat angles C4'-P-C4' energy: -170.214
flat angles P-C4'-P energy: -104.773
tors. eta vs tors. theta energy: -202.697
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2167.116339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.116339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.542682 (E_RNA)
where:
Base-Base interactions energy: -1453.535
where: short stacking energy: -629.097
Base-Backbone interact. energy: 5.852
local terms energy: -720.859014
where:
bonds (distance) C4'-P energy: -144.572
bonds (distance) P-C4' energy: -155.202
flat angles C4'-P-C4' energy: -152.352
flat angles P-C4'-P energy: -102.250
tors. eta vs tors. theta energy: -166.482
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: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2122.876968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.876968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.120154 (E_RNA)
where:
Base-Base interactions energy: -1436.275
where: short stacking energy: -603.666
Base-Backbone interact. energy: 3.490
local terms energy: -692.334781
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -156.704
flat angles C4'-P-C4' energy: -157.245
flat angles P-C4'-P energy: -89.117
tors. eta vs tors. theta energy: -164.978
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: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1998.931570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.931570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.901526 (E_RNA)
where:
Base-Base interactions energy: -1363.167
where: short stacking energy: -562.798
Base-Backbone interact. energy: 1.463
local terms energy: -639.197703
where:
bonds (distance) C4'-P energy: -127.933
bonds (distance) P-C4' energy: -131.028
flat angles C4'-P-C4' energy: -155.029
flat angles P-C4'-P energy: -71.547
tors. eta vs tors. theta energy: -153.660
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: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1953.521810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.521810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.869386 (E_RNA)
where:
Base-Base interactions energy: -1310.848
where: short stacking energy: -547.538
Base-Backbone interact. energy: -1.783
local terms energy: -644.238773
where:
bonds (distance) C4'-P energy: -110.549
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -148.763
flat angles P-C4'-P energy: -98.368
tors. eta vs tors. theta energy: -151.384
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1847.864039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.864039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.508264 (E_RNA)
where:
Base-Base interactions energy: -1255.637
where: short stacking energy: -532.724
Base-Backbone interact. energy: -4.610
local terms energy: -590.261494
where:
bonds (distance) C4'-P energy: -113.977
bonds (distance) P-C4' energy: -119.140
flat angles C4'-P-C4' energy: -139.314
flat angles P-C4'-P energy: -85.879
tors. eta vs tors. theta energy: -131.951
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: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2959.767136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.767136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.017940 (E_RNA)
where:
Base-Base interactions energy: -2067.364
where: short stacking energy: -844.654
Base-Backbone interact. energy: -2.893
local terms energy: -891.760672
where:
bonds (distance) C4'-P energy: -152.417
bonds (distance) P-C4' energy: -165.619
flat angles C4'-P-C4' energy: -189.208
flat angles P-C4'-P energy: -124.098
tors. eta vs tors. theta energy: -260.419
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: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2856.964686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.964686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.441143 (E_RNA)
where:
Base-Base interactions energy: -2027.161
where: short stacking energy: -818.554
Base-Backbone interact. energy: 1.227
local terms energy: -832.507434
where:
bonds (distance) C4'-P energy: -152.767
bonds (distance) P-C4' energy: -149.283
flat angles C4'-P-C4' energy: -173.054
flat angles P-C4'-P energy: -129.064
tors. eta vs tors. theta energy: -228.339
Dist. restrs. and SS energy: 1.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2755.328898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.328898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.148184 (E_RNA)
where:
Base-Base interactions energy: -1907.336
where: short stacking energy: -807.802
Base-Backbone interact. energy: -0.313
local terms energy: -849.498963
where:
bonds (distance) C4'-P energy: -146.608
bonds (distance) P-C4' energy: -161.980
flat angles C4'-P-C4' energy: -182.563
flat angles P-C4'-P energy: -124.492
tors. eta vs tors. theta energy: -233.855
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: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2553.226899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.226899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.681092 (E_RNA)
where:
Base-Base interactions energy: -1735.031
where: short stacking energy: -715.097
Base-Backbone interact. energy: -1.412
local terms energy: -818.237366
where:
bonds (distance) C4'-P energy: -148.366
bonds (distance) P-C4' energy: -161.565
flat angles C4'-P-C4' energy: -171.997
flat angles P-C4'-P energy: -120.554
tors. eta vs tors. theta energy: -215.756
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: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2308.930638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.930638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.453838 (E_RNA)
where:
Base-Base interactions energy: -1580.990
where: short stacking energy: -662.142
Base-Backbone interact. energy: -0.867
local terms energy: -728.596481
where:
bonds (distance) C4'-P energy: -145.538
bonds (distance) P-C4' energy: -131.564
flat angles C4'-P-C4' energy: -157.537
flat angles P-C4'-P energy: -105.581
tors. eta vs tors. theta energy: -188.377
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2139.116993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.116993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.654734 (E_RNA)
where:
Base-Base interactions energy: -1416.039
where: short stacking energy: -600.653
Base-Backbone interact. energy: -4.021
local terms energy: -720.594865
where:
bonds (distance) C4'-P energy: -152.175
bonds (distance) P-C4' energy: -125.835
flat angles C4'-P-C4' energy: -173.178
flat angles P-C4'-P energy: -106.616
tors. eta vs tors. theta energy: -162.791
Dist. restrs. and SS energy: 1.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2052.497365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.497365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.612564 (E_RNA)
where:
Base-Base interactions energy: -1368.752
where: short stacking energy: -576.199
Base-Backbone interact. energy: -1.796
local terms energy: -685.064135
where:
bonds (distance) C4'-P energy: -144.259
bonds (distance) P-C4' energy: -136.495
flat angles C4'-P-C4' energy: -160.896
flat angles P-C4'-P energy: -86.165
tors. eta vs tors. theta energy: -157.249
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: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1990.901056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.901056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.240789 (E_RNA)
where:
Base-Base interactions energy: -1376.747
where: short stacking energy: -604.659
Base-Backbone interact. energy: 5.317
local terms energy: -622.810959
where:
bonds (distance) C4'-P energy: -109.869
bonds (distance) P-C4' energy: -122.163
flat angles C4'-P-C4' energy: -153.239
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: -155.905
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1922.005699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.005699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.869004 (E_RNA)
where:
Base-Base interactions energy: -1280.896
where: short stacking energy: -574.814
Base-Backbone interact. energy: 1.200
local terms energy: -649.172973
where:
bonds (distance) C4'-P energy: -138.972
bonds (distance) P-C4' energy: -126.199
flat angles C4'-P-C4' energy: -164.143
flat angles P-C4'-P energy: -75.073
tors. eta vs tors. theta energy: -144.786
Dist. restrs. and SS energy: 6.863 (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: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1865.436899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.436899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.791773 (E_RNA)
where:
Base-Base interactions energy: -1272.467
where: short stacking energy: -513.432
Base-Backbone interact. energy: 0.939
local terms energy: -596.263695
where:
bonds (distance) C4'-P energy: -124.074
bonds (distance) P-C4' energy: -118.585
flat angles C4'-P-C4' energy: -131.736
flat angles P-C4'-P energy: -107.004
tors. eta vs tors. theta energy: -114.864
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2974.714569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2974.714569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.529723 (E_RNA)
where:
Base-Base interactions energy: -2061.574
where: short stacking energy: -868.886
Base-Backbone interact. energy: -3.702
local terms energy: -911.254485
where:
bonds (distance) C4'-P energy: -160.056
bonds (distance) P-C4' energy: -165.982
flat angles C4'-P-C4' energy: -186.446
flat angles P-C4'-P energy: -139.170
tors. eta vs tors. theta energy: -259.601
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2905.585059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.585059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.984432 (E_RNA)
where:
Base-Base interactions energy: -2034.726
where: short stacking energy: -822.249
Base-Backbone interact. energy: -2.309
local terms energy: -869.949656
where:
bonds (distance) C4'-P energy: -170.936
bonds (distance) P-C4' energy: -151.648
flat angles C4'-P-C4' energy: -176.662
flat angles P-C4'-P energy: -130.812
tors. eta vs tors. theta energy: -239.890
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2762.915171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.915171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.947854 (E_RNA)
where:
Base-Base interactions energy: -1922.751
where: short stacking energy: -810.738
Base-Backbone interact. energy: -2.581
local terms energy: -839.616314
where:
bonds (distance) C4'-P energy: -157.787
bonds (distance) P-C4' energy: -153.170
flat angles C4'-P-C4' energy: -171.810
flat angles P-C4'-P energy: -111.996
tors. eta vs tors. theta energy: -244.853
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: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2560.736039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.736039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.250149 (E_RNA)
where:
Base-Base interactions energy: -1758.611
where: short stacking energy: -761.654
Base-Backbone interact. energy: 2.050
local terms energy: -806.689151
where:
bonds (distance) C4'-P energy: -157.074
bonds (distance) P-C4' energy: -148.064
flat angles C4'-P-C4' energy: -162.963
flat angles P-C4'-P energy: -107.540
tors. eta vs tors. theta energy: -231.048
Dist. restrs. and SS energy: 2.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2305.972107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.951948 (E_RNA)
where:
Base-Base interactions energy: -1565.658
where: short stacking energy: -673.586
Base-Backbone interact. energy: 4.703
local terms energy: -746.997393
where:
bonds (distance) C4'-P energy: -143.370
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -165.142
flat angles P-C4'-P energy: -117.881
tors. eta vs tors. theta energy: -178.305
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: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2215.316647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.316647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.894662 (E_RNA)
where:
Base-Base interactions energy: -1496.511
where: short stacking energy: -648.172
Base-Backbone interact. energy: 1.195
local terms energy: -722.578339
where:
bonds (distance) C4'-P energy: -142.862
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -151.809
flat angles P-C4'-P energy: -113.445
tors. eta vs tors. theta energy: -174.966
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2123.546768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.546768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.617254 (E_RNA)
where:
Base-Base interactions energy: -1441.802
where: short stacking energy: -586.026
Base-Backbone interact. energy: -0.086
local terms energy: -683.728577
where:
bonds (distance) C4'-P energy: -140.214
bonds (distance) P-C4' energy: -154.027
flat angles C4'-P-C4' energy: -141.838
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -152.136
Dist. restrs. and SS energy: 2.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2002.818020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.818020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.470150 (E_RNA)
where:
Base-Base interactions energy: -1340.383
where: short stacking energy: -560.575
Base-Backbone interact. energy: 3.924
local terms energy: -669.011019
where:
bonds (distance) C4'-P energy: -128.103
bonds (distance) P-C4' energy: -152.983
flat angles C4'-P-C4' energy: -139.298
flat angles P-C4'-P energy: -92.838
tors. eta vs tors. theta energy: -155.790
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: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1926.926168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.926168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.880937 (E_RNA)
where:
Base-Base interactions energy: -1314.583
where: short stacking energy: -584.959
Base-Backbone interact. energy: -1.099
local terms energy: -614.198825
where:
bonds (distance) C4'-P energy: -118.257
bonds (distance) P-C4' energy: -118.817
flat angles C4'-P-C4' energy: -144.500
flat angles P-C4'-P energy: -78.731
tors. eta vs tors. theta energy: -153.893
Dist. restrs. and SS energy: 2.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1871.434081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.434081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.745940 (E_RNA)
where:
Base-Base interactions energy: -1257.677
where: short stacking energy: -545.508
Base-Backbone interact. energy: -0.308
local terms energy: -622.761311
where:
bonds (distance) C4'-P energy: -113.517
bonds (distance) P-C4' energy: -144.547
flat angles C4'-P-C4' energy: -132.303
flat angles P-C4'-P energy: -96.291
tors. eta vs tors. theta energy: -136.104
Dist. restrs. and SS energy: 9.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2960.223775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2960.223775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.542325 (E_RNA)
where:
Base-Base interactions energy: -2062.768
where: short stacking energy: -885.869
Base-Backbone interact. energy: -1.354
local terms energy: -899.420080
where:
bonds (distance) C4'-P energy: -156.248
bonds (distance) P-C4' energy: -166.611
flat angles C4'-P-C4' energy: -191.198
flat angles P-C4'-P energy: -120.009
tors. eta vs tors. theta energy: -265.354
Dist. restrs. and SS energy: 3.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2861.813111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.813111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2863.521002 (E_RNA)
where:
Base-Base interactions energy: -2011.211
where: short stacking energy: -827.774
Base-Backbone interact. energy: -3.725
local terms energy: -848.584818
where:
bonds (distance) C4'-P energy: -147.534
bonds (distance) P-C4' energy: -160.772
flat angles C4'-P-C4' energy: -185.264
flat angles P-C4'-P energy: -121.885
tors. eta vs tors. theta energy: -233.130
Dist. restrs. and SS energy: 1.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2728.629079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.629079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.149332 (E_RNA)
where:
Base-Base interactions energy: -1880.258
where: short stacking energy: -768.586
Base-Backbone interact. energy: -2.213
local terms energy: -848.677954
where:
bonds (distance) C4'-P energy: -147.221
bonds (distance) P-C4' energy: -161.621
flat angles C4'-P-C4' energy: -183.250
flat angles P-C4'-P energy: -121.021
tors. eta vs tors. theta energy: -235.565
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: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2548.024633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.024633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.968167 (E_RNA)
where:
Base-Base interactions energy: -1776.986
where: short stacking energy: -767.710
Base-Backbone interact. energy: 5.751
local terms energy: -779.733362
where:
bonds (distance) C4'-P energy: -144.246
bonds (distance) P-C4' energy: -127.952
flat angles C4'-P-C4' energy: -175.823
flat angles P-C4'-P energy: -122.026
tors. eta vs tors. theta energy: -209.686
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2340.359206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.359206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.512742 (E_RNA)
where:
Base-Base interactions energy: -1585.094
where: short stacking energy: -698.471
Base-Backbone interact. energy: -1.901
local terms energy: -754.517392
where:
bonds (distance) C4'-P energy: -136.072
bonds (distance) P-C4' energy: -146.824
flat angles C4'-P-C4' energy: -164.109
flat angles P-C4'-P energy: -111.175
tors. eta vs tors. theta energy: -196.336
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: 6, replica: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2204.634061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.634061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.762721 (E_RNA)
where:
Base-Base interactions energy: -1493.362
where: short stacking energy: -653.834
Base-Backbone interact. energy: -3.979
local terms energy: -709.421796
where:
bonds (distance) C4'-P energy: -131.837
bonds (distance) P-C4' energy: -143.680
flat angles C4'-P-C4' energy: -144.837
flat angles P-C4'-P energy: -110.497
tors. eta vs tors. theta energy: -178.571
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2124.005718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.005718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.021322 (E_RNA)
where:
Base-Base interactions energy: -1419.657
where: short stacking energy: -613.810
Base-Backbone interact. energy: -4.870
local terms energy: -701.494863
where:
bonds (distance) C4'-P energy: -134.362
bonds (distance) P-C4' energy: -148.848
flat angles C4'-P-C4' energy: -152.728
flat angles P-C4'-P energy: -101.350
tors. eta vs tors. theta energy: -164.206
Dist. restrs. and SS energy: 2.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1944.356954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.356954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.846902 (E_RNA)
where:
Base-Base interactions energy: -1310.766
where: short stacking energy: -531.833
Base-Backbone interact. energy: 1.888
local terms energy: -637.969342
where:
bonds (distance) C4'-P energy: -125.172
bonds (distance) P-C4' energy: -163.889
flat angles C4'-P-C4' energy: -131.135
flat angles P-C4'-P energy: -78.875
tors. eta vs tors. theta energy: -138.898
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1903.566856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.566856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.129540 (E_RNA)
where:
Base-Base interactions energy: -1304.642
where: short stacking energy: -552.067
Base-Backbone interact. energy: -3.737
local terms energy: -598.750130
where:
bonds (distance) C4'-P energy: -116.789
bonds (distance) P-C4' energy: -126.629
flat angles C4'-P-C4' energy: -148.386
flat angles P-C4'-P energy: -78.053
tors. eta vs tors. theta energy: -128.893
Dist. restrs. and SS energy: 3.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1917.898996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.898996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.840551 (E_RNA)
where:
Base-Base interactions energy: -1317.192
where: short stacking energy: -541.076
Base-Backbone interact. energy: 7.665
local terms energy: -610.314418
where:
bonds (distance) C4'-P energy: -124.006
bonds (distance) P-C4' energy: -139.970
flat angles C4'-P-C4' energy: -134.017
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -129.546
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: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2935.850707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.850707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.344488 (E_RNA)
where:
Base-Base interactions energy: -2026.961
where: short stacking energy: -838.536
Base-Backbone interact. energy: -3.518
local terms energy: -906.866120
where:
bonds (distance) C4'-P energy: -155.214
bonds (distance) P-C4' energy: -160.829
flat angles C4'-P-C4' energy: -199.978
flat angles P-C4'-P energy: -130.329
tors. eta vs tors. theta energy: -260.516
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: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2880.573457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.573457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.641014 (E_RNA)
where:
Base-Base interactions energy: -2026.174
where: short stacking energy: -834.459
Base-Backbone interact. energy: -3.553
local terms energy: -851.913715
where:
bonds (distance) C4'-P energy: -152.227
bonds (distance) P-C4' energy: -143.831
flat angles C4'-P-C4' energy: -189.908
flat angles P-C4'-P energy: -127.490
tors. eta vs tors. theta energy: -238.457
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: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2765.236337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.236337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.975690 (E_RNA)
where:
Base-Base interactions energy: -1928.002
where: short stacking energy: -809.274
Base-Backbone interact. energy: 0.726
local terms energy: -839.700170
where:
bonds (distance) C4'-P energy: -152.109
bonds (distance) P-C4' energy: -148.999
flat angles C4'-P-C4' energy: -182.338
flat angles P-C4'-P energy: -109.526
tors. eta vs tors. theta energy: -246.728
Dist. restrs. and SS energy: 1.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2522.556404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.556404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.656867 (E_RNA)
where:
Base-Base interactions energy: -1747.568
where: short stacking energy: -742.756
Base-Backbone interact. energy: -0.036
local terms energy: -777.052491
where:
bonds (distance) C4'-P energy: -146.320
bonds (distance) P-C4' energy: -159.085
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -97.089
tors. eta vs tors. theta energy: -207.440
Dist. restrs. and SS energy: 2.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2399.051168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.051168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.539419 (E_RNA)
where:
Base-Base interactions energy: -1658.781
where: short stacking energy: -705.981
Base-Backbone interact. energy: 10.848
local terms energy: -752.606744
where:
bonds (distance) C4'-P energy: -140.579
bonds (distance) P-C4' energy: -162.240
flat angles C4'-P-C4' energy: -164.601
flat angles P-C4'-P energy: -96.462
tors. eta vs tors. theta energy: -188.725
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: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2177.601568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.601568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.290145 (E_RNA)
where:
Base-Base interactions energy: -1494.922
where: short stacking energy: -672.053
Base-Backbone interact. energy: 3.017
local terms energy: -688.385142
where:
bonds (distance) C4'-P energy: -136.665
bonds (distance) P-C4' energy: -124.388
flat angles C4'-P-C4' energy: -144.426
flat angles P-C4'-P energy: -100.284
tors. eta vs tors. theta energy: -182.622
Dist. restrs. and SS energy: 2.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2079.769188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.769188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.933048 (E_RNA)
where:
Base-Base interactions energy: -1374.088
where: short stacking energy: -579.313
Base-Backbone interact. energy: -0.277
local terms energy: -707.567689
where:
bonds (distance) C4'-P energy: -151.111
bonds (distance) P-C4' energy: -149.935
flat angles C4'-P-C4' energy: -166.197
flat angles P-C4'-P energy: -90.603
tors. eta vs tors. theta energy: -149.723
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: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2008.280090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.280090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.891877 (E_RNA)
where:
Base-Base interactions energy: -1377.725
where: short stacking energy: -604.527
Base-Backbone interact. energy: -0.343
local terms energy: -633.823647
where:
bonds (distance) C4'-P energy: -117.115
bonds (distance) P-C4' energy: -133.144
flat angles C4'-P-C4' energy: -148.905
flat angles P-C4'-P energy: -75.736
tors. eta vs tors. theta energy: -158.924
Dist. restrs. and SS energy: 3.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1876.673719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.673719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.658450 (E_RNA)
where:
Base-Base interactions energy: -1249.750
where: short stacking energy: -504.208
Base-Backbone interact. energy: 2.681
local terms energy: -635.589720
where:
bonds (distance) C4'-P energy: -137.540
bonds (distance) P-C4' energy: -132.249
flat angles C4'-P-C4' energy: -147.423
flat angles P-C4'-P energy: -86.597
tors. eta vs tors. theta energy: -131.780
Dist. restrs. and SS energy: 5.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1911.717872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.717872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.515046 (E_RNA)
where:
Base-Base interactions energy: -1310.182
where: short stacking energy: -546.582
Base-Backbone interact. energy: 1.364
local terms energy: -605.697516
where:
bonds (distance) C4'-P energy: -120.698
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -144.990
flat angles P-C4'-P energy: -84.585
tors. eta vs tors. theta energy: -139.166
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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2912.548840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.548840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.945779 (E_RNA)
where:
Base-Base interactions energy: -2027.825
where: short stacking energy: -844.987
Base-Backbone interact. energy: -2.741
local terms energy: -883.379394
where:
bonds (distance) C4'-P energy: -173.526
bonds (distance) P-C4' energy: -151.389
flat angles C4'-P-C4' energy: -190.867
flat angles P-C4'-P energy: -126.357
tors. eta vs tors. theta energy: -241.240
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: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2857.486864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.486864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.717998 (E_RNA)
where:
Base-Base interactions energy: -2006.314
where: short stacking energy: -832.553
Base-Backbone interact. energy: -5.221
local terms energy: -847.182429
where:
bonds (distance) C4'-P energy: -140.619
bonds (distance) P-C4' energy: -151.232
flat angles C4'-P-C4' energy: -194.537
flat angles P-C4'-P energy: -123.157
tors. eta vs tors. theta energy: -237.639
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2729.860416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.860416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.175829 (E_RNA)
where:
Base-Base interactions energy: -1891.317
where: short stacking energy: -781.635
Base-Backbone interact. energy: 0.471
local terms energy: -841.330087
where:
bonds (distance) C4'-P energy: -141.085
bonds (distance) P-C4' energy: -156.123
flat angles C4'-P-C4' energy: -177.084
flat angles P-C4'-P energy: -131.524
tors. eta vs tors. theta energy: -235.513
Dist. restrs. and SS energy: 2.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2539.257938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.257938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.655123 (E_RNA)
where:
Base-Base interactions energy: -1742.639
where: short stacking energy: -719.122
Base-Backbone interact. energy: -2.944
local terms energy: -796.072162
where:
bonds (distance) C4'-P energy: -141.547
bonds (distance) P-C4' energy: -161.169
flat angles C4'-P-C4' energy: -171.116
flat angles P-C4'-P energy: -109.641
tors. eta vs tors. theta energy: -212.600
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2363.014991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.014991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.895760 (E_RNA)
where:
Base-Base interactions energy: -1606.337
where: short stacking energy: -715.567
Base-Backbone interact. energy: -2.167
local terms energy: -757.391313
where:
bonds (distance) C4'-P energy: -138.021
bonds (distance) P-C4' energy: -145.333
flat angles C4'-P-C4' energy: -161.978
flat angles P-C4'-P energy: -108.112
tors. eta vs tors. theta energy: -203.948
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2199.395149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.395149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.907770 (E_RNA)
where:
Base-Base interactions energy: -1469.551
where: short stacking energy: -625.122
Base-Backbone interact. energy: -2.350
local terms energy: -730.006763
where:
bonds (distance) C4'-P energy: -163.013
bonds (distance) P-C4' energy: -137.653
flat angles C4'-P-C4' energy: -150.360
flat angles P-C4'-P energy: -103.278
tors. eta vs tors. theta energy: -175.702
Dist. restrs. and SS energy: 2.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2110.506752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.506752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.520724 (E_RNA)
where:
Base-Base interactions energy: -1400.468
where: short stacking energy: -593.589
Base-Backbone interact. energy: 0.225
local terms energy: -712.278168
where:
bonds (distance) C4'-P energy: -142.047
bonds (distance) P-C4' energy: -155.361
flat angles C4'-P-C4' energy: -149.032
flat angles P-C4'-P energy: -101.425
tors. eta vs tors. theta energy: -164.412
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1998.948150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.948150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.219880 (E_RNA)
where:
Base-Base interactions energy: -1338.663
where: short stacking energy: -578.957
Base-Backbone interact. energy: 0.100
local terms energy: -663.657664
where:
bonds (distance) C4'-P energy: -108.187
bonds (distance) P-C4' energy: -145.549
flat angles C4'-P-C4' energy: -156.983
flat angles P-C4'-P energy: -100.777
tors. eta vs tors. theta energy: -152.162
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: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1964.015946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.015946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.850006 (E_RNA)
where:
Base-Base interactions energy: -1347.022
where: short stacking energy: -593.643
Base-Backbone interact. energy: -2.845
local terms energy: -616.982574
where:
bonds (distance) C4'-P energy: -94.883
bonds (distance) P-C4' energy: -126.272
flat angles C4'-P-C4' energy: -141.038
flat angles P-C4'-P energy: -94.391
tors. eta vs tors. theta energy: -160.399
Dist. restrs. and SS energy: 2.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1782.590975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.590975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.193442 (E_RNA)
where:
Base-Base interactions energy: -1205.188
where: short stacking energy: -506.947
Base-Backbone interact. energy: 0.682
local terms energy: -581.687677
where:
bonds (distance) C4'-P energy: -97.715
bonds (distance) P-C4' energy: -128.621
flat angles C4'-P-C4' energy: -158.497
flat angles P-C4'-P energy: -67.324
tors. eta vs tors. theta energy: -129.532
Dist. restrs. and SS energy: 3.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2923.032284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.032284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.439459 (E_RNA)
where:
Base-Base interactions energy: -2031.011
where: short stacking energy: -838.265
Base-Backbone interact. energy: -5.560
local terms energy: -887.869175
where:
bonds (distance) C4'-P energy: -158.583
bonds (distance) P-C4' energy: -154.862
flat angles C4'-P-C4' energy: -193.852
flat angles P-C4'-P energy: -127.267
tors. eta vs tors. theta energy: -253.306
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: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2894.981566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.981566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.108542 (E_RNA)
where:
Base-Base interactions energy: -2004.123
where: short stacking energy: -832.470
Base-Backbone interact. energy: -2.028
local terms energy: -889.957461
where:
bonds (distance) C4'-P energy: -158.712
bonds (distance) P-C4' energy: -168.325
flat angles C4'-P-C4' energy: -200.676
flat angles P-C4'-P energy: -120.749
tors. eta vs tors. theta energy: -241.496
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2772.565626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.565626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.796701 (E_RNA)
where:
Base-Base interactions energy: -1957.878
where: short stacking energy: -788.557
Base-Backbone interact. energy: 0.854
local terms energy: -816.773517
where:
bonds (distance) C4'-P energy: -139.043
bonds (distance) P-C4' energy: -145.513
flat angles C4'-P-C4' energy: -176.710
flat angles P-C4'-P energy: -121.608
tors. eta vs tors. theta energy: -233.899
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2509.211674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.211674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.961918 (E_RNA)
where:
Base-Base interactions energy: -1708.886
where: short stacking energy: -710.906
Base-Backbone interact. energy: -4.660
local terms energy: -797.416288
where:
bonds (distance) C4'-P energy: -152.573
bonds (distance) P-C4' energy: -154.401
flat angles C4'-P-C4' energy: -174.569
flat angles P-C4'-P energy: -111.156
tors. eta vs tors. theta energy: -204.717
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2361.586520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.586520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.079316 (E_RNA)
where:
Base-Base interactions energy: -1589.503
where: short stacking energy: -712.923
Base-Backbone interact. energy: -1.747
local terms energy: -772.828998
where:
bonds (distance) C4'-P energy: -155.482
bonds (distance) P-C4' energy: -134.763
flat angles C4'-P-C4' energy: -179.621
flat angles P-C4'-P energy: -101.873
tors. eta vs tors. theta energy: -201.090
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2195.110780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.110780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.036024 (E_RNA)
where:
Base-Base interactions energy: -1471.930
where: short stacking energy: -632.498
Base-Backbone interact. energy: -0.802
local terms energy: -725.303473
where:
bonds (distance) C4'-P energy: -156.364
bonds (distance) P-C4' energy: -134.015
flat angles C4'-P-C4' energy: -172.380
flat angles P-C4'-P energy: -83.135
tors. eta vs tors. theta energy: -179.409
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: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2099.690686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.690686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.792919 (E_RNA)
where:
Base-Base interactions energy: -1447.320
where: short stacking energy: -644.186
Base-Backbone interact. energy: -1.037
local terms energy: -654.436308
where:
bonds (distance) C4'-P energy: -135.519
bonds (distance) P-C4' energy: -116.828
flat angles C4'-P-C4' energy: -140.004
flat angles P-C4'-P energy: -93.070
tors. eta vs tors. theta energy: -169.016
Dist. restrs. and SS energy: 3.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1972.181029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.181029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.917410 (E_RNA)
where:
Base-Base interactions energy: -1309.871
where: short stacking energy: -577.799
Base-Backbone interact. energy: -2.552
local terms energy: -662.494841
where:
bonds (distance) C4'-P energy: -125.962
bonds (distance) P-C4' energy: -131.052
flat angles C4'-P-C4' energy: -167.800
flat angles P-C4'-P energy: -90.218
tors. eta vs tors. theta energy: -147.463
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: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1942.482086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.482086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.273886 (E_RNA)
where:
Base-Base interactions energy: -1318.181
where: short stacking energy: -559.155
Base-Backbone interact. energy: -2.368
local terms energy: -625.725075
where:
bonds (distance) C4'-P energy: -138.027
bonds (distance) P-C4' energy: -118.110
flat angles C4'-P-C4' energy: -136.285
flat angles P-C4'-P energy: -87.833
tors. eta vs tors. theta energy: -145.470
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: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1837.449075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.449075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.972598 (E_RNA)
where:
Base-Base interactions energy: -1296.289
where: short stacking energy: -537.046
Base-Backbone interact. energy: 6.263
local terms energy: -550.946594
where:
bonds (distance) C4'-P energy: -99.010
bonds (distance) P-C4' energy: -127.625
flat angles C4'-P-C4' energy: -131.880
flat angles P-C4'-P energy: -68.869
tors. eta vs tors. theta energy: -123.562
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2901.699806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.699806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.278664 (E_RNA)
where:
Base-Base interactions energy: -2009.871
where: short stacking energy: -807.892
Base-Backbone interact. energy: 2.917
local terms energy: -896.324637
where:
bonds (distance) C4'-P energy: -169.034
bonds (distance) P-C4' energy: -171.971
flat angles C4'-P-C4' energy: -188.586
flat angles P-C4'-P energy: -127.816
tors. eta vs tors. theta energy: -238.918
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: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2869.993030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.993030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.397255 (E_RNA)
where:
Base-Base interactions energy: -2005.722
where: short stacking energy: -841.314
Base-Backbone interact. energy: -1.878
local terms energy: -863.797293
where:
bonds (distance) C4'-P energy: -150.225
bonds (distance) P-C4' energy: -173.165
flat angles C4'-P-C4' energy: -176.678
flat angles P-C4'-P energy: -111.546
tors. eta vs tors. theta energy: -252.183
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2759.834840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.834840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.662539 (E_RNA)
where:
Base-Base interactions energy: -1911.685
where: short stacking energy: -796.331
Base-Backbone interact. energy: -2.056
local terms energy: -848.922003
where:
bonds (distance) C4'-P energy: -149.944
bonds (distance) P-C4' energy: -161.965
flat angles C4'-P-C4' energy: -188.953
flat angles P-C4'-P energy: -114.912
tors. eta vs tors. theta energy: -233.148
Dist. restrs. and SS energy: 2.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2577.635068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.635068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.212847 (E_RNA)
where:
Base-Base interactions energy: -1782.772
where: short stacking energy: -776.442
Base-Backbone interact. energy: -0.649
local terms energy: -796.791457
where:
bonds (distance) C4'-P energy: -160.085
bonds (distance) P-C4' energy: -149.339
flat angles C4'-P-C4' energy: -164.864
flat angles P-C4'-P energy: -102.592
tors. eta vs tors. theta energy: -219.910
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2354.775799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.775799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.052796 (E_RNA)
where:
Base-Base interactions energy: -1572.452
where: short stacking energy: -673.884
Base-Backbone interact. energy: -3.711
local terms energy: -779.889910
where:
bonds (distance) C4'-P energy: -156.715
bonds (distance) P-C4' energy: -164.281
flat angles C4'-P-C4' energy: -163.080
flat angles P-C4'-P energy: -99.258
tors. eta vs tors. theta energy: -196.556
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2195.934069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.934069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.529363 (E_RNA)
where:
Base-Base interactions energy: -1489.131
where: short stacking energy: -635.872
Base-Backbone interact. energy: -5.245
local terms energy: -703.152982
where:
bonds (distance) C4'-P energy: -144.886
bonds (distance) P-C4' energy: -134.335
flat angles C4'-P-C4' energy: -152.223
flat angles P-C4'-P energy: -100.236
tors. eta vs tors. theta energy: -171.473
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: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -2109.358007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.358007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.225708 (E_RNA)
where:
Base-Base interactions energy: -1402.381
where: short stacking energy: -616.389
Base-Backbone interact. energy: 1.893
local terms energy: -710.736851
where:
bonds (distance) C4'-P energy: -144.924
bonds (distance) P-C4' energy: -147.223
flat angles C4'-P-C4' energy: -169.879
flat angles P-C4'-P energy: -92.469
tors. eta vs tors. theta energy: -156.242
Dist. restrs. and SS energy: 1.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2021.735799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.735799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.709615 (E_RNA)
where:
Base-Base interactions energy: -1347.644
where: short stacking energy: -582.720
Base-Backbone interact. energy: 1.005
local terms energy: -677.070710
where:
bonds (distance) C4'-P energy: -143.079
bonds (distance) P-C4' energy: -145.294
flat angles C4'-P-C4' energy: -154.850
flat angles P-C4'-P energy: -84.084
tors. eta vs tors. theta energy: -149.763
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: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1914.532751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.532751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.153214 (E_RNA)
where:
Base-Base interactions energy: -1286.829
where: short stacking energy: -537.789
Base-Backbone interact. energy: -3.201
local terms energy: -630.123133
where:
bonds (distance) C4'-P energy: -142.091
bonds (distance) P-C4' energy: -117.742
flat angles C4'-P-C4' energy: -147.098
flat angles P-C4'-P energy: -71.891
tors. eta vs tors. theta energy: -151.301
Dist. restrs. and SS energy: 5.620 (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: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1910.942053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.942053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.335110 (E_RNA)
where:
Base-Base interactions energy: -1292.004
where: short stacking energy: -560.387
Base-Backbone interact. energy: -1.519
local terms energy: -620.811846
where:
bonds (distance) C4'-P energy: -99.961
bonds (distance) P-C4' energy: -134.200
flat angles C4'-P-C4' energy: -145.090
flat angles P-C4'-P energy: -103.844
tors. eta vs tors. theta energy: -137.717
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: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2926.198690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.198690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.008591 (E_RNA)
where:
Base-Base interactions energy: -2037.037
where: short stacking energy: -830.446
Base-Backbone interact. energy: -1.546
local terms energy: -889.425294
where:
bonds (distance) C4'-P energy: -169.411
bonds (distance) P-C4' energy: -165.370
flat angles C4'-P-C4' energy: -175.155
flat angles P-C4'-P energy: -140.073
tors. eta vs tors. theta energy: -239.417
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: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2885.249024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.249024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2886.701856 (E_RNA)
where:
Base-Base interactions energy: -2009.096
where: short stacking energy: -845.353
Base-Backbone interact. energy: -2.010
local terms energy: -875.595780
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -171.840
flat angles C4'-P-C4' energy: -193.998
flat angles P-C4'-P energy: -107.679
tors. eta vs tors. theta energy: -252.463
Dist. restrs. and SS energy: 1.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2731.120981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.120981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.676064 (E_RNA)
where:
Base-Base interactions energy: -1899.800
where: short stacking energy: -809.142
Base-Backbone interact. energy: 4.183
local terms energy: -837.058787
where:
bonds (distance) C4'-P energy: -153.698
bonds (distance) P-C4' energy: -150.161
flat angles C4'-P-C4' energy: -187.030
flat angles P-C4'-P energy: -112.692
tors. eta vs tors. theta energy: -233.478
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: 445
Temperature: 1.050000
Total energy: -2566.012432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.012432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.438217 (E_RNA)
where:
Base-Base interactions energy: -1756.863
where: short stacking energy: -765.170
Base-Backbone interact. energy: -2.698
local terms energy: -808.877149
where:
bonds (distance) C4'-P energy: -153.335
bonds (distance) P-C4' energy: -149.214
flat angles C4'-P-C4' energy: -164.350
flat angles P-C4'-P energy: -108.879
tors. eta vs tors. theta energy: -233.099
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: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2353.347035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.347035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.296207 (E_RNA)
where:
Base-Base interactions energy: -1588.511
where: short stacking energy: -681.495
Base-Backbone interact. energy: -0.228
local terms energy: -766.557083
where:
bonds (distance) C4'-P energy: -141.962
bonds (distance) P-C4' energy: -159.264
flat angles C4'-P-C4' energy: -175.263
flat angles P-C4'-P energy: -93.743
tors. eta vs tors. theta energy: -196.325
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2167.629186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.629186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.053485 (E_RNA)
where:
Base-Base interactions energy: -1460.425
where: short stacking energy: -602.815
Base-Backbone interact. energy: -2.149
local terms energy: -709.479653
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -160.436
flat angles C4'-P-C4' energy: -145.863
flat angles P-C4'-P energy: -115.220
tors. eta vs tors. theta energy: -158.909
Dist. restrs. and SS energy: 4.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2132.830166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.830166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.923206 (E_RNA)
where:
Base-Base interactions energy: -1446.618
where: short stacking energy: -633.346
Base-Backbone interact. energy: -3.716
local terms energy: -685.589148
where:
bonds (distance) C4'-P energy: -122.603
bonds (distance) P-C4' energy: -133.321
flat angles C4'-P-C4' energy: -157.192
flat angles P-C4'-P energy: -93.348
tors. eta vs tors. theta energy: -179.125
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1990.524122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.524122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.578786 (E_RNA)
where:
Base-Base interactions energy: -1345.624
where: short stacking energy: -568.700
Base-Backbone interact. energy: -2.198
local terms energy: -644.756400
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -149.247
flat angles C4'-P-C4' energy: -146.276
flat angles P-C4'-P energy: -90.228
tors. eta vs tors. theta energy: -143.208
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: 445
Temperature: 1.300000
Total energy: -1953.723053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.723053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.834456 (E_RNA)
where:
Base-Base interactions energy: -1324.689
where: short stacking energy: -561.147
Base-Backbone interact. energy: -2.390
local terms energy: -628.754876
where:
bonds (distance) C4'-P energy: -130.823
bonds (distance) P-C4' energy: -124.993
flat angles C4'-P-C4' energy: -140.752
flat angles P-C4'-P energy: -92.816
tors. eta vs tors. theta energy: -139.371
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: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1856.774106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.774106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.470362 (E_RNA)
where:
Base-Base interactions energy: -1294.476
where: short stacking energy: -529.705
Base-Backbone interact. energy: 5.587
local terms energy: -570.581867
where:
bonds (distance) C4'-P energy: -115.346
bonds (distance) P-C4' energy: -132.304
flat angles C4'-P-C4' energy: -114.224
flat angles P-C4'-P energy: -78.461
tors. eta vs tors. theta energy: -130.247
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: 446
Temperature: 0.900000
Total energy: -2950.761213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.761213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.358472 (E_RNA)
where:
Base-Base interactions energy: -2046.980
where: short stacking energy: -809.820
Base-Backbone interact. energy: -2.769
local terms energy: -902.608904
where:
bonds (distance) C4'-P energy: -157.619
bonds (distance) P-C4' energy: -168.706
flat angles C4'-P-C4' energy: -189.484
flat angles P-C4'-P energy: -142.183
tors. eta vs tors. theta energy: -244.617
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: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2894.235963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.235963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.074109 (E_RNA)
where:
Base-Base interactions energy: -2012.572
where: short stacking energy: -841.477
Base-Backbone interact. energy: -3.934
local terms energy: -879.568323
where:
bonds (distance) C4'-P energy: -150.184
bonds (distance) P-C4' energy: -168.873
flat angles C4'-P-C4' energy: -192.881
flat angles P-C4'-P energy: -128.754
tors. eta vs tors. theta energy: -238.876
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: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2736.005801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.005801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.998969 (E_RNA)
where:
Base-Base interactions energy: -1896.216
where: short stacking energy: -808.951
Base-Backbone interact. energy: -2.806
local terms energy: -838.976603
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -173.801
flat angles C4'-P-C4' energy: -179.939
flat angles P-C4'-P energy: -103.265
tors. eta vs tors. theta energy: -236.051
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2587.158223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.158223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.754171 (E_RNA)
where:
Base-Base interactions energy: -1768.265
where: short stacking energy: -746.378
Base-Backbone interact. energy: -0.881
local terms energy: -820.608393
where:
bonds (distance) C4'-P energy: -154.740
bonds (distance) P-C4' energy: -147.335
flat angles C4'-P-C4' energy: -183.263
flat angles P-C4'-P energy: -113.379
tors. eta vs tors. theta energy: -221.892
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2356.142633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.142633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.707784 (E_RNA)
where:
Base-Base interactions energy: -1601.077
where: short stacking energy: -685.800
Base-Backbone interact. energy: -0.941
local terms energy: -755.690004
where:
bonds (distance) C4'-P energy: -149.065
bonds (distance) P-C4' energy: -162.267
flat angles C4'-P-C4' energy: -154.304
flat angles P-C4'-P energy: -98.651
tors. eta vs tors. theta energy: -191.404
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: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2235.934923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.934923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.114805 (E_RNA)
where:
Base-Base interactions energy: -1543.246
where: short stacking energy: -677.053
Base-Backbone interact. energy: -2.850
local terms energy: -692.018635
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -138.195
flat angles C4'-P-C4' energy: -156.449
flat angles P-C4'-P energy: -94.010
tors. eta vs tors. theta energy: -169.647
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: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2100.260992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.260992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.308655 (E_RNA)
where:
Base-Base interactions energy: -1397.162
where: short stacking energy: -631.014
Base-Backbone interact. energy: -1.701
local terms energy: -703.446076
where:
bonds (distance) C4'-P energy: -139.340
bonds (distance) P-C4' energy: -125.325
flat angles C4'-P-C4' energy: -172.778
flat angles P-C4'-P energy: -100.073
tors. eta vs tors. theta energy: -165.929
Dist. restrs. and SS energy: 2.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2010.499399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.499399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.815689 (E_RNA)
where:
Base-Base interactions energy: -1362.470
where: short stacking energy: -576.534
Base-Backbone interact. energy: -0.568
local terms energy: -649.777758
where:
bonds (distance) C4'-P energy: -139.855
bonds (distance) P-C4' energy: -142.845
flat angles C4'-P-C4' energy: -138.627
flat angles P-C4'-P energy: -87.006
tors. eta vs tors. theta energy: -141.444
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1934.678614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.678614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.714292 (E_RNA)
where:
Base-Base interactions energy: -1303.942
where: short stacking energy: -529.337
Base-Backbone interact. energy: 8.006
local terms energy: -640.779016
where:
bonds (distance) C4'-P energy: -117.046
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -154.218
flat angles P-C4'-P energy: -98.115
tors. eta vs tors. theta energy: -143.279
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1876.389234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.389234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.276513 (E_RNA)
where:
Base-Base interactions energy: -1288.796
where: short stacking energy: -548.235
Base-Backbone interact. energy: 2.834
local terms energy: -595.314147
where:
bonds (distance) C4'-P energy: -121.219
bonds (distance) P-C4' energy: -120.421
flat angles C4'-P-C4' energy: -131.123
flat angles P-C4'-P energy: -99.313
tors. eta vs tors. theta energy: -123.239
Dist. restrs. and SS energy: 4.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2935.356841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.356841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.092940 (E_RNA)
where:
Base-Base interactions energy: -2038.589
where: short stacking energy: -836.118
Base-Backbone interact. energy: -2.973
local terms energy: -895.530643
where:
bonds (distance) C4'-P energy: -155.959
bonds (distance) P-C4' energy: -169.644
flat angles C4'-P-C4' energy: -186.084
flat angles P-C4'-P energy: -133.339
tors. eta vs tors. theta energy: -250.505
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: 2, replica: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2888.784544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.784544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.760901 (E_RNA)
where:
Base-Base interactions energy: -2003.714
where: short stacking energy: -832.087
Base-Backbone interact. energy: -1.916
local terms energy: -884.131286
where:
bonds (distance) C4'-P energy: -153.242
bonds (distance) P-C4' energy: -172.495
flat angles C4'-P-C4' energy: -184.981
flat angles P-C4'-P energy: -126.797
tors. eta vs tors. theta energy: -246.617
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: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2749.472474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.472474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.363183 (E_RNA)
where:
Base-Base interactions energy: -1896.463
where: short stacking energy: -798.313
Base-Backbone interact. energy: -2.303
local terms energy: -852.597466
where:
bonds (distance) C4'-P energy: -155.298
bonds (distance) P-C4' energy: -158.134
flat angles C4'-P-C4' energy: -187.585
flat angles P-C4'-P energy: -118.584
tors. eta vs tors. theta energy: -232.997
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2601.941255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.941255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.982260 (E_RNA)
where:
Base-Base interactions energy: -1829.188
where: short stacking energy: -748.731
Base-Backbone interact. energy: 7.552
local terms energy: -783.346337
where:
bonds (distance) C4'-P energy: -138.116
bonds (distance) P-C4' energy: -145.947
flat angles C4'-P-C4' energy: -186.146
flat angles P-C4'-P energy: -93.895
tors. eta vs tors. theta energy: -219.243
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: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2361.102308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.102308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.392199 (E_RNA)
where:
Base-Base interactions energy: -1588.868
where: short stacking energy: -678.887
Base-Backbone interact. energy: 2.321
local terms energy: -776.844644
where:
bonds (distance) C4'-P energy: -156.062
bonds (distance) P-C4' energy: -146.167
flat angles C4'-P-C4' energy: -168.493
flat angles P-C4'-P energy: -106.026
tors. eta vs tors. theta energy: -200.096
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: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2212.795463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.795463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.253779 (E_RNA)
where:
Base-Base interactions energy: -1496.001
where: short stacking energy: -644.513
Base-Backbone interact. energy: 2.077
local terms energy: -722.329758
where:
bonds (distance) C4'-P energy: -134.143
bonds (distance) P-C4' energy: -141.212
flat angles C4'-P-C4' energy: -165.047
flat angles P-C4'-P energy: -108.465
tors. eta vs tors. theta energy: -173.463
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: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2150.720455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.720455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.930547 (E_RNA)
where:
Base-Base interactions energy: -1444.238
where: short stacking energy: -663.702
Base-Backbone interact. energy: -0.223
local terms energy: -708.469385
where:
bonds (distance) C4'-P energy: -129.645
bonds (distance) P-C4' energy: -126.903
flat angles C4'-P-C4' energy: -170.305
flat angles P-C4'-P energy: -93.856
tors. eta vs tors. theta energy: -187.761
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2022.112767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.112767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.090943 (E_RNA)
where:
Base-Base interactions energy: -1381.708
where: short stacking energy: -581.638
Base-Backbone interact. energy: 7.940
local terms energy: -650.322910
where:
bonds (distance) C4'-P energy: -118.183
bonds (distance) P-C4' energy: -143.956
flat angles C4'-P-C4' energy: -137.397
flat angles P-C4'-P energy: -82.698
tors. eta vs tors. theta energy: -168.088
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: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -2045.434853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.434853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.879015 (E_RNA)
where:
Base-Base interactions energy: -1406.435
where: short stacking energy: -602.670
Base-Backbone interact. energy: -2.850
local terms energy: -637.593733
where:
bonds (distance) C4'-P energy: -123.438
bonds (distance) P-C4' energy: -123.139
flat angles C4'-P-C4' energy: -141.450
flat angles P-C4'-P energy: -94.532
tors. eta vs tors. theta energy: -155.035
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: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1880.084296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.084296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.340559 (E_RNA)
where:
Base-Base interactions energy: -1234.381
where: short stacking energy: -530.397
Base-Backbone interact. energy: 5.494
local terms energy: -662.453212
where:
bonds (distance) C4'-P energy: -151.498
bonds (distance) P-C4' energy: -117.631
flat angles C4'-P-C4' energy: -147.986
flat angles P-C4'-P energy: -101.324
tors. eta vs tors. theta energy: -144.014
Dist. restrs. and SS energy: 11.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2919.028970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.028970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.190343 (E_RNA)
where:
Base-Base interactions energy: -2029.223
where: short stacking energy: -860.593
Base-Backbone interact. energy: -2.581
local terms energy: -888.386199
where:
bonds (distance) C4'-P energy: -148.933
bonds (distance) P-C4' energy: -165.539
flat angles C4'-P-C4' energy: -185.097
flat angles P-C4'-P energy: -132.573
tors. eta vs tors. theta energy: -256.245
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: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2874.571455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.571455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.356871 (E_RNA)
where:
Base-Base interactions energy: -2026.278
where: short stacking energy: -805.221
Base-Backbone interact. energy: -3.878
local terms energy: -845.200278
where:
bonds (distance) C4'-P energy: -144.846
bonds (distance) P-C4' energy: -165.121
flat angles C4'-P-C4' energy: -179.490
flat angles P-C4'-P energy: -121.999
tors. eta vs tors. theta energy: -233.743
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: 3, replica: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2750.575700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.575700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.254269 (E_RNA)
where:
Base-Base interactions energy: -1881.199
where: short stacking energy: -807.494
Base-Backbone interact. energy: -1.824
local terms energy: -869.231350
where:
bonds (distance) C4'-P energy: -160.824
bonds (distance) P-C4' energy: -146.703
flat angles C4'-P-C4' energy: -183.761
flat angles P-C4'-P energy: -120.598
tors. eta vs tors. theta energy: -257.346
Dist. restrs. and SS energy: 1.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2601.323489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.323489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.342676 (E_RNA)
where:
Base-Base interactions energy: -1813.419
where: short stacking energy: -768.399
Base-Backbone interact. energy: -1.687
local terms energy: -788.236745
where:
bonds (distance) C4'-P energy: -143.281
bonds (distance) P-C4' energy: -145.391
flat angles C4'-P-C4' energy: -177.269
flat angles P-C4'-P energy: -105.007
tors. eta vs tors. theta energy: -217.288
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: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2334.687330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.687330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.295137 (E_RNA)
where:
Base-Base interactions energy: -1582.904
where: short stacking energy: -677.405
Base-Backbone interact. energy: -1.381
local terms energy: -753.010266
where:
bonds (distance) C4'-P energy: -134.267
bonds (distance) P-C4' energy: -150.644
flat angles C4'-P-C4' energy: -156.635
flat angles P-C4'-P energy: -117.869
tors. eta vs tors. theta energy: -193.595
Dist. restrs. and SS energy: 2.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2201.453199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.453199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.084390 (E_RNA)
where:
Base-Base interactions energy: -1483.080
where: short stacking energy: -643.374
Base-Backbone interact. energy: -3.528
local terms energy: -716.476559
where:
bonds (distance) C4'-P energy: -140.701
bonds (distance) P-C4' energy: -127.049
flat angles C4'-P-C4' energy: -160.531
flat angles P-C4'-P energy: -96.111
tors. eta vs tors. theta energy: -192.084
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: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2083.452041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.452041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.944276 (E_RNA)
where:
Base-Base interactions energy: -1393.505
where: short stacking energy: -598.485
Base-Backbone interact. energy: 5.446
local terms energy: -697.885163
where:
bonds (distance) C4'-P energy: -131.749
bonds (distance) P-C4' energy: -137.655
flat angles C4'-P-C4' energy: -154.689
flat angles P-C4'-P energy: -106.009
tors. eta vs tors. theta energy: -167.784
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: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2041.374680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.374680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.875395 (E_RNA)
where:
Base-Base interactions energy: -1349.309
where: short stacking energy: -562.761
Base-Backbone interact. energy: 1.873
local terms energy: -696.439173
where:
bonds (distance) C4'-P energy: -145.058
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -101.398
tors. eta vs tors. theta energy: -160.515
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1957.922630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.922630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.364946 (E_RNA)
where:
Base-Base interactions energy: -1330.677
where: short stacking energy: -575.402
Base-Backbone interact. energy: -0.752
local terms energy: -630.936027
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -144.248
flat angles C4'-P-C4' energy: -145.499
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -139.432
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: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1872.441656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.441656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.018720 (E_RNA)
where:
Base-Base interactions energy: -1256.532
where: short stacking energy: -537.119
Base-Backbone interact. energy: -1.402
local terms energy: -621.084527
where:
bonds (distance) C4'-P energy: -113.568
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -153.822
flat angles P-C4'-P energy: -82.401
tors. eta vs tors. theta energy: -134.466
Dist. restrs. and SS energy: 6.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2912.420508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.420508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.786893 (E_RNA)
where:
Base-Base interactions energy: -2028.129
where: short stacking energy: -837.665
Base-Backbone interact. energy: -3.525
local terms energy: -882.132816
where:
bonds (distance) C4'-P energy: -148.506
bonds (distance) P-C4' energy: -172.583
flat angles C4'-P-C4' energy: -186.372
flat angles P-C4'-P energy: -119.256
tors. eta vs tors. theta energy: -255.415
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: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2872.695788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.695788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.370239 (E_RNA)
where:
Base-Base interactions energy: -2022.999
where: short stacking energy: -814.651
Base-Backbone interact. energy: 1.776
local terms energy: -854.148080
where:
bonds (distance) C4'-P energy: -162.657
bonds (distance) P-C4' energy: -158.494
flat angles C4'-P-C4' energy: -177.900
flat angles P-C4'-P energy: -122.689
tors. eta vs tors. theta energy: -232.409
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2742.109362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.109362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.699604 (E_RNA)
where:
Base-Base interactions energy: -1905.836
where: short stacking energy: -792.881
Base-Backbone interact. energy: -2.627
local terms energy: -836.236611
where:
bonds (distance) C4'-P energy: -139.036
bonds (distance) P-C4' energy: -165.087
flat angles C4'-P-C4' energy: -178.267
flat angles P-C4'-P energy: -115.964
tors. eta vs tors. theta energy: -237.882
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2579.962653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.962653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.071493 (E_RNA)
where:
Base-Base interactions energy: -1767.119
where: short stacking energy: -729.264
Base-Backbone interact. energy: -2.961
local terms energy: -811.990830
where:
bonds (distance) C4'-P energy: -151.546
bonds (distance) P-C4' energy: -153.744
flat angles C4'-P-C4' energy: -174.888
flat angles P-C4'-P energy: -119.569
tors. eta vs tors. theta energy: -212.243
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2366.147531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.147531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.621697 (E_RNA)
where:
Base-Base interactions energy: -1615.444
where: short stacking energy: -689.633
Base-Backbone interact. energy: -1.966
local terms energy: -750.211699
where:
bonds (distance) C4'-P energy: -143.300
bonds (distance) P-C4' energy: -148.681
flat angles C4'-P-C4' energy: -151.643
flat angles P-C4'-P energy: -113.676
tors. eta vs tors. theta energy: -192.912
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: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2185.687001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.687001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.792487 (E_RNA)
where:
Base-Base interactions energy: -1475.093
where: short stacking energy: -629.762
Base-Backbone interact. energy: 4.738
local terms energy: -718.437215
where:
bonds (distance) C4'-P energy: -143.892
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -148.674
flat angles P-C4'-P energy: -110.559
tors. eta vs tors. theta energy: -162.220
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: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2076.010446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.010446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.710498 (E_RNA)
where:
Base-Base interactions energy: -1380.172
where: short stacking energy: -605.308
Base-Backbone interact. energy: 0.396
local terms energy: -699.934697
where:
bonds (distance) C4'-P energy: -149.182
bonds (distance) P-C4' energy: -132.672
flat angles C4'-P-C4' energy: -145.762
flat angles P-C4'-P energy: -114.337
tors. eta vs tors. theta energy: -157.982
Dist. restrs. and SS energy: 3.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2030.405207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.405207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.857473 (E_RNA)
where:
Base-Base interactions energy: -1366.493
where: short stacking energy: -579.358
Base-Backbone interact. energy: -3.831
local terms energy: -662.532956
where:
bonds (distance) C4'-P energy: -117.698
bonds (distance) P-C4' energy: -130.711
flat angles C4'-P-C4' energy: -152.813
flat angles P-C4'-P energy: -100.864
tors. eta vs tors. theta energy: -160.447
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1982.558786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.558786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.860481 (E_RNA)
where:
Base-Base interactions energy: -1359.641
where: short stacking energy: -565.631
Base-Backbone interact. energy: -3.567
local terms energy: -621.652555
where:
bonds (distance) C4'-P energy: -134.027
bonds (distance) P-C4' energy: -132.185
flat angles C4'-P-C4' energy: -130.845
flat angles P-C4'-P energy: -82.017
tors. eta vs tors. theta energy: -142.578
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: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1873.640602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.640602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.298305 (E_RNA)
where:
Base-Base interactions energy: -1287.722
where: short stacking energy: -515.817
Base-Backbone interact. energy: 2.711
local terms energy: -591.286748
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -111.367
flat angles C4'-P-C4' energy: -140.386
flat angles P-C4'-P energy: -99.960
tors. eta vs tors. theta energy: -125.131
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2932.783957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.114457 (E_RNA)
where:
Base-Base interactions energy: -2042.663
where: short stacking energy: -862.299
Base-Backbone interact. energy: -3.378
local terms energy: -888.072722
where:
bonds (distance) C4'-P energy: -170.714
bonds (distance) P-C4' energy: -160.559
flat angles C4'-P-C4' energy: -187.223
flat angles P-C4'-P energy: -125.110
tors. eta vs tors. theta energy: -244.467
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: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2866.232526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.232526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.879320 (E_RNA)
where:
Base-Base interactions energy: -1988.560
where: short stacking energy: -820.855
Base-Backbone interact. energy: -6.039
local terms energy: -873.280283
where:
bonds (distance) C4'-P energy: -157.930
bonds (distance) P-C4' energy: -165.687
flat angles C4'-P-C4' energy: -185.393
flat angles P-C4'-P energy: -118.817
tors. eta vs tors. theta energy: -245.453
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2710.481353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.481353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.626415 (E_RNA)
where:
Base-Base interactions energy: -1905.681
where: short stacking energy: -784.009
Base-Backbone interact. energy: 1.180
local terms energy: -807.125290
where:
bonds (distance) C4'-P energy: -145.990
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -170.697
flat angles P-C4'-P energy: -117.377
tors. eta vs tors. theta energy: -229.166
Dist. restrs. and SS energy: 1.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2590.512479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.512479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.980174 (E_RNA)
where:
Base-Base interactions energy: -1791.277
where: short stacking energy: -774.466
Base-Backbone interact. energy: 4.287
local terms energy: -804.990115
where:
bonds (distance) C4'-P energy: -135.379
bonds (distance) P-C4' energy: -140.172
flat angles C4'-P-C4' energy: -183.411
flat angles P-C4'-P energy: -117.637
tors. eta vs tors. theta energy: -228.391
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: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2274.678790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.678790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.888061 (E_RNA)
where:
Base-Base interactions energy: -1529.192
where: short stacking energy: -668.289
Base-Backbone interact. energy: -4.843
local terms energy: -743.853032
where:
bonds (distance) C4'-P energy: -137.940
bonds (distance) P-C4' energy: -125.232
flat angles C4'-P-C4' energy: -162.381
flat angles P-C4'-P energy: -120.864
tors. eta vs tors. theta energy: -197.437
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2320.423543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.423543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.664801 (E_RNA)
where:
Base-Base interactions energy: -1583.762
where: short stacking energy: -690.114
Base-Backbone interact. energy: 1.463
local terms energy: -739.365813
where:
bonds (distance) C4'-P energy: -146.391
bonds (distance) P-C4' energy: -142.981
flat angles C4'-P-C4' energy: -155.832
flat angles P-C4'-P energy: -112.124
tors. eta vs tors. theta energy: -182.037
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2075.997315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.997315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.855236 (E_RNA)
where:
Base-Base interactions energy: -1409.157
where: short stacking energy: -601.401
Base-Backbone interact. energy: -1.016
local terms energy: -668.682398
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -140.129
flat angles C4'-P-C4' energy: -145.929
flat angles P-C4'-P energy: -93.268
tors. eta vs tors. theta energy: -155.892
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: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2022.073327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.073327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.062387 (E_RNA)
where:
Base-Base interactions energy: -1409.850
where: short stacking energy: -575.259
Base-Backbone interact. energy: 9.947
local terms energy: -624.159010
where:
bonds (distance) C4'-P energy: -124.223
bonds (distance) P-C4' energy: -117.997
flat angles C4'-P-C4' energy: -141.279
flat angles P-C4'-P energy: -94.625
tors. eta vs tors. theta energy: -146.035
Dist. restrs. and SS energy: 1.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1964.945725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.945725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.484223 (E_RNA)
where:
Base-Base interactions energy: -1384.832
where: short stacking energy: -541.500
Base-Backbone interact. energy: 1.861
local terms energy: -583.512833
where:
bonds (distance) C4'-P energy: -117.646
bonds (distance) P-C4' energy: -118.340
flat angles C4'-P-C4' energy: -128.164
flat angles P-C4'-P energy: -73.168
tors. eta vs tors. theta energy: -146.195
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1863.008960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.008960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.204222 (E_RNA)
where:
Base-Base interactions energy: -1266.634
where: short stacking energy: -532.346
Base-Backbone interact. energy: 9.602
local terms energy: -609.172211
where:
bonds (distance) C4'-P energy: -117.132
bonds (distance) P-C4' energy: -131.557
flat angles C4'-P-C4' energy: -145.988
flat angles P-C4'-P energy: -91.087
tors. eta vs tors. theta energy: -123.409
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2949.902645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.902645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.491866 (E_RNA)
where:
Base-Base interactions energy: -2063.496
where: short stacking energy: -883.655
Base-Backbone interact. energy: -0.651
local terms energy: -887.345658
where:
bonds (distance) C4'-P energy: -159.195
bonds (distance) P-C4' energy: -161.713
flat angles C4'-P-C4' energy: -186.455
flat angles P-C4'-P energy: -117.061
tors. eta vs tors. theta energy: -262.922
Dist. restrs. and SS energy: 1.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2878.278866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.278866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.636650 (E_RNA)
where:
Base-Base interactions energy: -2034.874
where: short stacking energy: -807.304
Base-Backbone interact. energy: -3.037
local terms energy: -842.725968
where:
bonds (distance) C4'-P energy: -157.229
bonds (distance) P-C4' energy: -142.241
flat angles C4'-P-C4' energy: -187.780
flat angles P-C4'-P energy: -125.913
tors. eta vs tors. theta energy: -229.563
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2675.123401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.123401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.412759 (E_RNA)
where:
Base-Base interactions energy: -1840.926
where: short stacking energy: -790.383
Base-Backbone interact. energy: -1.848
local terms energy: -834.638482
where:
bonds (distance) C4'-P energy: -149.069
bonds (distance) P-C4' energy: -161.829
flat angles C4'-P-C4' energy: -176.855
flat angles P-C4'-P energy: -119.106
tors. eta vs tors. theta energy: -227.779
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: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2563.352450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.352450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.741296 (E_RNA)
where:
Base-Base interactions energy: -1759.986
where: short stacking energy: -766.264
Base-Backbone interact. energy: 1.832
local terms energy: -808.587975
where:
bonds (distance) C4'-P energy: -168.923
bonds (distance) P-C4' energy: -155.649
flat angles C4'-P-C4' energy: -157.982
flat angles P-C4'-P energy: -108.325
tors. eta vs tors. theta energy: -217.710
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: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2280.168596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.168596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.925703 (E_RNA)
where:
Base-Base interactions energy: -1557.749
where: short stacking energy: -669.769
Base-Backbone interact. energy: -2.634
local terms energy: -722.542383
where:
bonds (distance) C4'-P energy: -146.512
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -156.677
flat angles P-C4'-P energy: -105.399
tors. eta vs tors. theta energy: -191.766
Dist. restrs. and SS energy: 2.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2303.550325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.550325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.839691 (E_RNA)
where:
Base-Base interactions energy: -1562.216
where: short stacking energy: -665.878
Base-Backbone interact. energy: -4.622
local terms energy: -738.002504
where:
bonds (distance) C4'-P energy: -155.214
bonds (distance) P-C4' energy: -132.727
flat angles C4'-P-C4' energy: -162.382
flat angles P-C4'-P energy: -105.837
tors. eta vs tors. theta energy: -181.842
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -2145.821284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.821284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.391393 (E_RNA)
where:
Base-Base interactions energy: -1474.803
where: short stacking energy: -623.988
Base-Backbone interact. energy: 0.686
local terms energy: -674.274866
where:
bonds (distance) C4'-P energy: -140.392
bonds (distance) P-C4' energy: -126.817
flat angles C4'-P-C4' energy: -156.062
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -170.904
Dist. restrs. and SS energy: 2.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2014.400359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.400359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.718589 (E_RNA)
where:
Base-Base interactions energy: -1363.684
where: short stacking energy: -557.412
Base-Backbone interact. energy: 0.705
local terms energy: -653.738991
where:
bonds (distance) C4'-P energy: -126.043
bonds (distance) P-C4' energy: -125.967
flat angles C4'-P-C4' energy: -159.219
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -152.597
Dist. restrs. and SS energy: 2.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -2012.114968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.114968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.550293 (E_RNA)
where:
Base-Base interactions energy: -1383.353
where: short stacking energy: -591.613
Base-Backbone interact. energy: 9.367
local terms energy: -641.564629
where:
bonds (distance) C4'-P energy: -103.829
bonds (distance) P-C4' energy: -122.017
flat angles C4'-P-C4' energy: -143.763
flat angles P-C4'-P energy: -107.624
tors. eta vs tors. theta energy: -164.332
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: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1922.646203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.646203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.830396 (E_RNA)
where:
Base-Base interactions energy: -1298.046
where: short stacking energy: -534.037
Base-Backbone interact. energy: 2.989
local terms energy: -631.773465
where:
bonds (distance) C4'-P energy: -136.783
bonds (distance) P-C4' energy: -150.677
flat angles C4'-P-C4' energy: -119.943
flat angles P-C4'-P energy: -85.288
tors. eta vs tors. theta energy: -139.083
Dist. restrs. and SS energy: 4.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2945.724014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.724014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.925331 (E_RNA)
where:
Base-Base interactions energy: -2054.529
where: short stacking energy: -850.123
Base-Backbone interact. energy: -2.546
local terms energy: -889.850648
where:
bonds (distance) C4'-P energy: -155.717
bonds (distance) P-C4' energy: -170.593
flat angles C4'-P-C4' energy: -197.018
flat angles P-C4'-P energy: -118.377
tors. eta vs tors. theta energy: -248.146
Dist. restrs. and SS energy: 1.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2902.140421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.140421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.765104 (E_RNA)
where:
Base-Base interactions energy: -2031.281
where: short stacking energy: -822.239
Base-Backbone interact. energy: 2.155
local terms energy: -875.638920
where:
bonds (distance) C4'-P energy: -142.763
bonds (distance) P-C4' energy: -163.316
flat angles C4'-P-C4' energy: -188.091
flat angles P-C4'-P energy: -133.465
tors. eta vs tors. theta energy: -248.003
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2696.238898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.238898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.280824 (E_RNA)
where:
Base-Base interactions energy: -1856.797
where: short stacking energy: -790.698
Base-Backbone interact. energy: -4.331
local terms energy: -836.152835
where:
bonds (distance) C4'-P energy: -150.664
bonds (distance) P-C4' energy: -161.397
flat angles C4'-P-C4' energy: -167.430
flat angles P-C4'-P energy: -120.914
tors. eta vs tors. theta energy: -235.749
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2569.940663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.940663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.102745 (E_RNA)
where:
Base-Base interactions energy: -1764.107
where: short stacking energy: -745.749
Base-Backbone interact. energy: -2.339
local terms energy: -805.656559
where:
bonds (distance) C4'-P energy: -146.127
bonds (distance) P-C4' energy: -155.823
flat angles C4'-P-C4' energy: -172.863
flat angles P-C4'-P energy: -119.757
tors. eta vs tors. theta energy: -211.088
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: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2313.636986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.636986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.026037 (E_RNA)
where:
Base-Base interactions energy: -1561.203
where: short stacking energy: -644.460
Base-Backbone interact. energy: -2.699
local terms energy: -752.124049
where:
bonds (distance) C4'-P energy: -145.276
bonds (distance) P-C4' energy: -134.763
flat angles C4'-P-C4' energy: -185.159
flat angles P-C4'-P energy: -95.060
tors. eta vs tors. theta energy: -191.865
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: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2286.815454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.815454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.635844 (E_RNA)
where:
Base-Base interactions energy: -1542.754
where: short stacking energy: -638.802
Base-Backbone interact. energy: 2.407
local terms energy: -748.288634
where:
bonds (distance) C4'-P energy: -139.695
bonds (distance) P-C4' energy: -149.408
flat angles C4'-P-C4' energy: -171.217
flat angles P-C4'-P energy: -107.324
tors. eta vs tors. theta energy: -180.645
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2087.970224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.970224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.281025 (E_RNA)
where:
Base-Base interactions energy: -1442.224
where: short stacking energy: -611.692
Base-Backbone interact. energy: 0.162
local terms energy: -647.218492
where:
bonds (distance) C4'-P energy: -121.087
bonds (distance) P-C4' energy: -142.217
flat angles C4'-P-C4' energy: -144.699
flat angles P-C4'-P energy: -88.591
tors. eta vs tors. theta energy: -150.624
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: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2036.577666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.577666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.410550 (E_RNA)
where:
Base-Base interactions energy: -1381.393
where: short stacking energy: -574.039
Base-Backbone interact. energy: -0.999
local terms energy: -656.018665
where:
bonds (distance) C4'-P energy: -128.085
bonds (distance) P-C4' energy: -139.515
flat angles C4'-P-C4' energy: -152.160
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -146.823
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -2000.448088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.448088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.181133 (E_RNA)
where:
Base-Base interactions energy: -1370.570
where: short stacking energy: -566.369
Base-Backbone interact. energy: -4.862
local terms energy: -627.749200
where:
bonds (distance) C4'-P energy: -123.444
bonds (distance) P-C4' energy: -126.591
flat angles C4'-P-C4' energy: -128.646
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -145.958
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1920.185998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.747663 (E_RNA)
where:
Base-Base interactions energy: -1315.754
where: short stacking energy: -550.109
Base-Backbone interact. energy: -0.250
local terms energy: -606.743426
where:
bonds (distance) C4'-P energy: -119.618
bonds (distance) P-C4' energy: -132.650
flat angles C4'-P-C4' energy: -125.257
flat angles P-C4'-P energy: -85.941
tors. eta vs tors. theta energy: -143.277
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: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2941.999166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.999166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.689541 (E_RNA)
where:
Base-Base interactions energy: -2041.463
where: short stacking energy: -839.254
Base-Backbone interact. energy: -5.222
local terms energy: -897.004194
where:
bonds (distance) C4'-P energy: -151.965
bonds (distance) P-C4' energy: -178.279
flat angles C4'-P-C4' energy: -192.734
flat angles P-C4'-P energy: -126.420
tors. eta vs tors. theta energy: -247.606
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2881.900480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2884.209339 (E_RNA)
where:
Base-Base interactions energy: -2010.352
where: short stacking energy: -834.579
Base-Backbone interact. energy: -4.371
local terms energy: -869.487218
where:
bonds (distance) C4'-P energy: -157.749
bonds (distance) P-C4' energy: -162.105
flat angles C4'-P-C4' energy: -182.297
flat angles P-C4'-P energy: -124.458
tors. eta vs tors. theta energy: -242.878
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2703.545336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.545336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.673849 (E_RNA)
where:
Base-Base interactions energy: -1898.757
where: short stacking energy: -806.604
Base-Backbone interact. energy: -1.855
local terms energy: -804.061569
where:
bonds (distance) C4'-P energy: -140.728
bonds (distance) P-C4' energy: -149.931
flat angles C4'-P-C4' energy: -170.883
flat angles P-C4'-P energy: -111.728
tors. eta vs tors. theta energy: -230.792
Dist. restrs. and SS energy: 1.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2506.437894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.437894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.225001 (E_RNA)
where:
Base-Base interactions energy: -1716.528
where: short stacking energy: -728.749
Base-Backbone interact. energy: -5.136
local terms energy: -787.561248
where:
bonds (distance) C4'-P energy: -148.362
bonds (distance) P-C4' energy: -152.696
flat angles C4'-P-C4' energy: -167.697
flat angles P-C4'-P energy: -104.079
tors. eta vs tors. theta energy: -214.727
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2255.309923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.309923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.252878 (E_RNA)
where:
Base-Base interactions energy: -1499.467
where: short stacking energy: -662.422
Base-Backbone interact. energy: -3.496
local terms energy: -755.289886
where:
bonds (distance) C4'-P energy: -151.348
bonds (distance) P-C4' energy: -144.751
flat angles C4'-P-C4' energy: -163.401
flat angles P-C4'-P energy: -100.374
tors. eta vs tors. theta energy: -195.416
Dist. restrs. and SS energy: 2.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2261.734821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.734821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.551490 (E_RNA)
where:
Base-Base interactions energy: -1550.317
where: short stacking energy: -659.316
Base-Backbone interact. energy: 0.162
local terms energy: -715.396484
where:
bonds (distance) C4'-P energy: -138.547
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -168.651
flat angles P-C4'-P energy: -107.360
tors. eta vs tors. theta energy: -187.766
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2159.918275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.918275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.723518 (E_RNA)
where:
Base-Base interactions energy: -1458.242
where: short stacking energy: -624.713
Base-Backbone interact. energy: -0.502
local terms energy: -702.979649
where:
bonds (distance) C4'-P energy: -146.324
bonds (distance) P-C4' energy: -140.941
flat angles C4'-P-C4' energy: -150.039
flat angles P-C4'-P energy: -82.356
tors. eta vs tors. theta energy: -183.319
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: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2010.918232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.918232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.689388 (E_RNA)
where:
Base-Base interactions energy: -1378.645
where: short stacking energy: -598.868
Base-Backbone interact. energy: 5.494
local terms energy: -640.537931
where:
bonds (distance) C4'-P energy: -131.150
bonds (distance) P-C4' energy: -130.323
flat angles C4'-P-C4' energy: -138.565
flat angles P-C4'-P energy: -86.447
tors. eta vs tors. theta energy: -154.052
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: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1988.105826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.105826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.610245 (E_RNA)
where:
Base-Base interactions energy: -1375.182
where: short stacking energy: -567.054
Base-Backbone interact. energy: 1.051
local terms energy: -615.478824
where:
bonds (distance) C4'-P energy: -115.164
bonds (distance) P-C4' energy: -124.128
flat angles C4'-P-C4' energy: -131.699
flat angles P-C4'-P energy: -86.428
tors. eta vs tors. theta energy: -158.058
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1908.802653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.802653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.252803 (E_RNA)
where:
Base-Base interactions energy: -1307.134
where: short stacking energy: -554.377
Base-Backbone interact. energy: -3.865
local terms energy: -601.253294
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -121.008
flat angles C4'-P-C4' energy: -135.589
flat angles P-C4'-P energy: -80.148
tors. eta vs tors. theta energy: -139.386
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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2940.420440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.420440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.245935 (E_RNA)
where:
Base-Base interactions energy: -2070.618
where: short stacking energy: -845.880
Base-Backbone interact. energy: -1.345
local terms energy: -870.283027
where:
bonds (distance) C4'-P energy: -163.202
bonds (distance) P-C4' energy: -155.163
flat angles C4'-P-C4' energy: -193.958
flat angles P-C4'-P energy: -120.691
tors. eta vs tors. theta energy: -237.269
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: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2878.069963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.069963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.162228 (E_RNA)
where:
Base-Base interactions energy: -2009.910
where: short stacking energy: -810.584
Base-Backbone interact. energy: -2.171
local terms energy: -869.081129
where:
bonds (distance) C4'-P energy: -153.313
bonds (distance) P-C4' energy: -158.576
flat angles C4'-P-C4' energy: -187.677
flat angles P-C4'-P energy: -130.455
tors. eta vs tors. theta energy: -239.061
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: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2722.175641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.175641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.180678 (E_RNA)
where:
Base-Base interactions energy: -1903.434
where: short stacking energy: -797.934
Base-Backbone interact. energy: -2.297
local terms energy: -820.449858
where:
bonds (distance) C4'-P energy: -152.564
bonds (distance) P-C4' energy: -141.457
flat angles C4'-P-C4' energy: -163.906
flat angles P-C4'-P energy: -116.587
tors. eta vs tors. theta energy: -245.937
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2556.941095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.941095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.783938 (E_RNA)
where:
Base-Base interactions energy: -1758.973
where: short stacking energy: -736.865
Base-Backbone interact. energy: -3.423
local terms energy: -796.388491
where:
bonds (distance) C4'-P energy: -154.461
bonds (distance) P-C4' energy: -139.332
flat angles C4'-P-C4' energy: -176.131
flat angles P-C4'-P energy: -118.804
tors. eta vs tors. theta energy: -207.660
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: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2354.468725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.468725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.966190 (E_RNA)
where:
Base-Base interactions energy: -1634.987
where: short stacking energy: -697.821
Base-Backbone interact. energy: -2.295
local terms energy: -719.684189
where:
bonds (distance) C4'-P energy: -152.882
bonds (distance) P-C4' energy: -133.664
flat angles C4'-P-C4' energy: -145.351
flat angles P-C4'-P energy: -93.679
tors. eta vs tors. theta energy: -194.109
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: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2214.744001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.744001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.893850 (E_RNA)
where:
Base-Base interactions energy: -1492.540
where: short stacking energy: -637.002
Base-Backbone interact. energy: -1.400
local terms energy: -722.953873
where:
bonds (distance) C4'-P energy: -122.754
bonds (distance) P-C4' energy: -136.610
flat angles C4'-P-C4' energy: -155.227
flat angles P-C4'-P energy: -118.574
tors. eta vs tors. theta energy: -189.789
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2120.178605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.178605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.115447 (E_RNA)
where:
Base-Base interactions energy: -1456.513
where: short stacking energy: -618.823
Base-Backbone interact. energy: 3.677
local terms energy: -669.279196
where:
bonds (distance) C4'-P energy: -120.805
bonds (distance) P-C4' energy: -128.493
flat angles C4'-P-C4' energy: -166.931
flat angles P-C4'-P energy: -102.002
tors. eta vs tors. theta energy: -151.048
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: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2010.184650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.184650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.301536 (E_RNA)
where:
Base-Base interactions energy: -1363.203
where: short stacking energy: -586.682
Base-Backbone interact. energy: -1.003
local terms energy: -648.096307
where:
bonds (distance) C4'-P energy: -110.849
bonds (distance) P-C4' energy: -132.785
flat angles C4'-P-C4' energy: -156.646
flat angles P-C4'-P energy: -96.332
tors. eta vs tors. theta energy: -151.485
Dist. restrs. and SS energy: 2.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1966.154968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.328621 (E_RNA)
where:
Base-Base interactions energy: -1359.154
where: short stacking energy: -551.370
Base-Backbone interact. energy: 3.943
local terms energy: -614.117351
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -118.761
flat angles C4'-P-C4' energy: -136.663
flat angles P-C4'-P energy: -103.027
tors. eta vs tors. theta energy: -145.136
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: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1922.303523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.303523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.743366 (E_RNA)
where:
Base-Base interactions energy: -1327.102
where: short stacking energy: -555.605
Base-Backbone interact. energy: 2.694
local terms energy: -601.334685
where:
bonds (distance) C4'-P energy: -126.311
bonds (distance) P-C4' energy: -95.493
flat angles C4'-P-C4' energy: -144.674
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -146.216
Dist. restrs. and SS energy: 3.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2937.815066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.815066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.671403 (E_RNA)
where:
Base-Base interactions energy: -2073.125
where: short stacking energy: -843.585
Base-Backbone interact. energy: -1.516
local terms energy: -865.029801
where:
bonds (distance) C4'-P energy: -149.402
bonds (distance) P-C4' energy: -170.424
flat angles C4'-P-C4' energy: -187.066
flat angles P-C4'-P energy: -113.883
tors. eta vs tors. theta energy: -244.255
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: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2869.031732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.031732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2871.481757 (E_RNA)
where:
Base-Base interactions energy: -2018.820
where: short stacking energy: -809.458
Base-Backbone interact. energy: -2.484
local terms energy: -850.177873
where:
bonds (distance) C4'-P energy: -168.493
bonds (distance) P-C4' energy: -159.192
flat angles C4'-P-C4' energy: -172.486
flat angles P-C4'-P energy: -111.759
tors. eta vs tors. theta energy: -238.248
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: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2712.386199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.386199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.934047 (E_RNA)
where:
Base-Base interactions energy: -1863.651
where: short stacking energy: -779.729
Base-Backbone interact. energy: -0.357
local terms energy: -850.925811
where:
bonds (distance) C4'-P energy: -161.833
bonds (distance) P-C4' energy: -151.857
flat angles C4'-P-C4' energy: -178.908
flat angles P-C4'-P energy: -126.205
tors. eta vs tors. theta energy: -232.124
Dist. restrs. and SS energy: 2.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2537.293697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.293697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.700938 (E_RNA)
where:
Base-Base interactions energy: -1732.653
where: short stacking energy: -712.470
Base-Backbone interact. energy: 0.907
local terms energy: -807.955527
where:
bonds (distance) C4'-P energy: -156.696
bonds (distance) P-C4' energy: -163.629
flat angles C4'-P-C4' energy: -170.838
flat angles P-C4'-P energy: -120.378
tors. eta vs tors. theta energy: -196.415
Dist. restrs. and SS energy: 2.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2305.020300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.020300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.920514 (E_RNA)
where:
Base-Base interactions energy: -1567.073
where: short stacking energy: -677.591
Base-Backbone interact. energy: 0.095
local terms energy: -740.943187
where:
bonds (distance) C4'-P energy: -146.547
bonds (distance) P-C4' energy: -143.303
flat angles C4'-P-C4' energy: -151.355
flat angles P-C4'-P energy: -118.559
tors. eta vs tors. theta energy: -181.179
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2297.705301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.705301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.157043 (E_RNA)
where:
Base-Base interactions energy: -1552.440
where: short stacking energy: -656.767
Base-Backbone interact. energy: -2.143
local terms energy: -747.574147
where:
bonds (distance) C4'-P energy: -134.646
bonds (distance) P-C4' energy: -145.765
flat angles C4'-P-C4' energy: -170.569
flat angles P-C4'-P energy: -117.445
tors. eta vs tors. theta energy: -179.149
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: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2123.035121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.035121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.005508 (E_RNA)
where:
Base-Base interactions energy: -1448.248
where: short stacking energy: -633.436
Base-Backbone interact. energy: 5.338
local terms energy: -682.095082
where:
bonds (distance) C4'-P energy: -143.350
bonds (distance) P-C4' energy: -137.011
flat angles C4'-P-C4' energy: -150.884
flat angles P-C4'-P energy: -89.421
tors. eta vs tors. theta energy: -161.429
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: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2013.317263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.317263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.690345 (E_RNA)
where:
Base-Base interactions energy: -1342.415
where: short stacking energy: -598.195
Base-Backbone interact. energy: -1.957
local terms energy: -671.318249
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -124.272
flat angles C4'-P-C4' energy: -157.637
flat angles P-C4'-P energy: -92.553
tors. eta vs tors. theta energy: -168.906
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1903.824830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.824830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.340677 (E_RNA)
where:
Base-Base interactions energy: -1281.152
where: short stacking energy: -542.310
Base-Backbone interact. energy: 5.821
local terms energy: -631.009356
where:
bonds (distance) C4'-P energy: -123.730
bonds (distance) P-C4' energy: -128.788
flat angles C4'-P-C4' energy: -141.275
flat angles P-C4'-P energy: -96.073
tors. eta vs tors. theta energy: -141.144
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: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1876.657316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.657316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.971260 (E_RNA)
where:
Base-Base interactions energy: -1286.169
where: short stacking energy: -531.004
Base-Backbone interact. energy: 1.140
local terms energy: -594.941893
where:
bonds (distance) C4'-P energy: -126.049
bonds (distance) P-C4' energy: -122.316
flat angles C4'-P-C4' energy: -134.353
flat angles P-C4'-P energy: -79.255
tors. eta vs tors. theta energy: -132.970
Dist. restrs. and SS energy: 3.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2942.479581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2942.479581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.928714 (E_RNA)
where:
Base-Base interactions energy: -2028.825
where: short stacking energy: -831.062
Base-Backbone interact. energy: -0.845
local terms energy: -915.258315
where:
bonds (distance) C4'-P energy: -170.690
bonds (distance) P-C4' energy: -160.205
flat angles C4'-P-C4' energy: -198.173
flat angles P-C4'-P energy: -126.552
tors. eta vs tors. theta energy: -259.639
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2898.734739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.734739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.826206 (E_RNA)
where:
Base-Base interactions energy: -1999.421
where: short stacking energy: -802.420
Base-Backbone interact. energy: -6.900
local terms energy: -893.505633
where:
bonds (distance) C4'-P energy: -164.626
bonds (distance) P-C4' energy: -169.708
flat angles C4'-P-C4' energy: -186.688
flat angles P-C4'-P energy: -132.254
tors. eta vs tors. theta energy: -240.230
Dist. restrs. and SS energy: 1.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2731.829034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.829034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.126630 (E_RNA)
where:
Base-Base interactions energy: -1878.219
where: short stacking energy: -792.477
Base-Backbone interact. energy: -0.374
local terms energy: -856.533245
where:
bonds (distance) C4'-P energy: -148.461
bonds (distance) P-C4' energy: -165.109
flat angles C4'-P-C4' energy: -188.521
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -251.180
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2546.962539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.962539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.916293 (E_RNA)
where:
Base-Base interactions energy: -1741.534
where: short stacking energy: -737.679
Base-Backbone interact. energy: -0.937
local terms energy: -807.445842
where:
bonds (distance) C4'-P energy: -159.740
bonds (distance) P-C4' energy: -147.654
flat angles C4'-P-C4' energy: -159.044
flat angles P-C4'-P energy: -121.754
tors. eta vs tors. theta energy: -219.254
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: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2320.088561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.088561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.186137 (E_RNA)
where:
Base-Base interactions energy: -1538.928
where: short stacking energy: -651.771
Base-Backbone interact. energy: 3.203
local terms energy: -786.461291
where:
bonds (distance) C4'-P energy: -142.072
bonds (distance) P-C4' energy: -158.216
flat angles C4'-P-C4' energy: -174.626
flat angles P-C4'-P energy: -113.880
tors. eta vs tors. theta energy: -197.668
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2271.214971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.214971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.715425 (E_RNA)
where:
Base-Base interactions energy: -1536.865
where: short stacking energy: -657.169
Base-Backbone interact. energy: -0.873
local terms energy: -738.977239
where:
bonds (distance) C4'-P energy: -137.916
bonds (distance) P-C4' energy: -161.756
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -98.202
tors. eta vs tors. theta energy: -187.059
Dist. restrs. and SS energy: 5.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2098.749346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.749346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.027039 (E_RNA)
where:
Base-Base interactions energy: -1417.751
where: short stacking energy: -629.918
Base-Backbone interact. energy: 0.883
local terms energy: -686.158688
where:
bonds (distance) C4'-P energy: -135.783
bonds (distance) P-C4' energy: -121.931
flat angles C4'-P-C4' energy: -154.362
flat angles P-C4'-P energy: -94.829
tors. eta vs tors. theta energy: -179.255
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2068.844091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.844091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.548879 (E_RNA)
where:
Base-Base interactions energy: -1407.894
where: short stacking energy: -589.342
Base-Backbone interact. energy: 0.530
local terms energy: -665.185177
where:
bonds (distance) C4'-P energy: -136.098
bonds (distance) P-C4' energy: -108.832
flat angles C4'-P-C4' energy: -149.990
flat angles P-C4'-P energy: -104.679
tors. eta vs tors. theta energy: -165.586
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1962.995787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.995787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.150427 (E_RNA)
where:
Base-Base interactions energy: -1358.795
where: short stacking energy: -560.165
Base-Backbone interact. energy: -1.403
local terms energy: -604.951610
where:
bonds (distance) C4'-P energy: -123.746
bonds (distance) P-C4' energy: -112.225
flat angles C4'-P-C4' energy: -149.059
flat angles P-C4'-P energy: -85.763
tors. eta vs tors. theta energy: -134.158
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1864.403273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.403273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.933990 (E_RNA)
where:
Base-Base interactions energy: -1277.174
where: short stacking energy: -527.806
Base-Backbone interact. energy: -1.936
local terms energy: -588.823583
where:
bonds (distance) C4'-P energy: -135.044
bonds (distance) P-C4' energy: -127.702
flat angles C4'-P-C4' energy: -123.583
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -115.664
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2977.359890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.359890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.637329 (E_RNA)
where:
Base-Base interactions energy: -2083.533
where: short stacking energy: -851.174
Base-Backbone interact. energy: -0.141
local terms energy: -896.963419
where:
bonds (distance) C4'-P energy: -169.572
bonds (distance) P-C4' energy: -163.051
flat angles C4'-P-C4' energy: -189.585
flat angles P-C4'-P energy: -124.239
tors. eta vs tors. theta energy: -250.517
Dist. restrs. and SS energy: 3.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2901.266226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.266226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.554304 (E_RNA)
where:
Base-Base interactions energy: -2029.971
where: short stacking energy: -838.079
Base-Backbone interact. energy: -1.721
local terms energy: -870.862217
where:
bonds (distance) C4'-P energy: -159.458
bonds (distance) P-C4' energy: -157.748
flat angles C4'-P-C4' energy: -186.866
flat angles P-C4'-P energy: -123.279
tors. eta vs tors. theta energy: -243.511
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: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2726.400035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.400035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.425237 (E_RNA)
where:
Base-Base interactions energy: -1886.974
where: short stacking energy: -798.759
Base-Backbone interact. energy: -1.021
local terms energy: -839.429748
where:
bonds (distance) C4'-P energy: -165.570
bonds (distance) P-C4' energy: -161.533
flat angles C4'-P-C4' energy: -172.054
flat angles P-C4'-P energy: -105.048
tors. eta vs tors. theta energy: -235.225
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2631.229448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.229448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.643923 (E_RNA)
where:
Base-Base interactions energy: -1820.910
where: short stacking energy: -737.998
Base-Backbone interact. energy: -1.812
local terms energy: -809.922240
where:
bonds (distance) C4'-P energy: -162.071
bonds (distance) P-C4' energy: -134.195
flat angles C4'-P-C4' energy: -166.830
flat angles P-C4'-P energy: -125.960
tors. eta vs tors. theta energy: -220.868
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2359.024615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.024615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.714369 (E_RNA)
where:
Base-Base interactions energy: -1598.491
where: short stacking energy: -682.312
Base-Backbone interact. energy: -4.178
local terms energy: -758.046047
where:
bonds (distance) C4'-P energy: -141.209
bonds (distance) P-C4' energy: -129.172
flat angles C4'-P-C4' energy: -158.283
flat angles P-C4'-P energy: -114.951
tors. eta vs tors. theta energy: -214.430
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2257.317099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.317099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.377761 (E_RNA)
where:
Base-Base interactions energy: -1544.538
where: short stacking energy: -647.516
Base-Backbone interact. energy: -0.094
local terms energy: -715.745831
where:
bonds (distance) C4'-P energy: -115.170
bonds (distance) P-C4' energy: -133.982
flat angles C4'-P-C4' energy: -161.378
flat angles P-C4'-P energy: -99.155
tors. eta vs tors. theta energy: -206.061
Dist. restrs. and SS energy: 3.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2090.163479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.163479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.839202 (E_RNA)
where:
Base-Base interactions energy: -1386.944
where: short stacking energy: -593.584
Base-Backbone interact. energy: -1.955
local terms energy: -704.940179
where:
bonds (distance) C4'-P energy: -130.447
bonds (distance) P-C4' energy: -148.314
flat angles C4'-P-C4' energy: -158.559
flat angles P-C4'-P energy: -113.461
tors. eta vs tors. theta energy: -154.159
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: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2029.204236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.204236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.026277 (E_RNA)
where:
Base-Base interactions energy: -1389.059
where: short stacking energy: -593.297
Base-Backbone interact. energy: -0.836
local terms energy: -643.130929
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -122.675
flat angles C4'-P-C4' energy: -138.361
flat angles P-C4'-P energy: -90.475
tors. eta vs tors. theta energy: -157.676
Dist. restrs. and SS energy: 3.822 (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: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -2006.977668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.977668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.682052 (E_RNA)
where:
Base-Base interactions energy: -1371.059
where: short stacking energy: -570.510
Base-Backbone interact. energy: -2.456
local terms energy: -636.167189
where:
bonds (distance) C4'-P energy: -114.818
bonds (distance) P-C4' energy: -139.410
flat angles C4'-P-C4' energy: -130.641
flat angles P-C4'-P energy: -95.020
tors. eta vs tors. theta energy: -156.278
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1849.728312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.728312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.744086 (E_RNA)
where:
Base-Base interactions energy: -1256.930
where: short stacking energy: -516.767
Base-Backbone interact. energy: -2.953
local terms energy: -598.861769
where:
bonds (distance) C4'-P energy: -125.110
bonds (distance) P-C4' energy: -138.655
flat angles C4'-P-C4' energy: -140.695
flat angles P-C4'-P energy: -64.436
tors. eta vs tors. theta energy: -129.966
Dist. restrs. and SS energy: 9.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2953.385572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.385572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.748770 (E_RNA)
where:
Base-Base interactions energy: -2070.974
where: short stacking energy: -868.232
Base-Backbone interact. energy: -2.605
local terms energy: -883.169575
where:
bonds (distance) C4'-P energy: -148.016
bonds (distance) P-C4' energy: -165.316
flat angles C4'-P-C4' energy: -186.203
flat angles P-C4'-P energy: -129.075
tors. eta vs tors. theta energy: -254.560
Dist. restrs. and SS energy: 3.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2866.141299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.141299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.231984 (E_RNA)
where:
Base-Base interactions energy: -2025.273
where: short stacking energy: -818.538
Base-Backbone interact. energy: -2.798
local terms energy: -842.160468
where:
bonds (distance) C4'-P energy: -134.348
bonds (distance) P-C4' energy: -154.151
flat angles C4'-P-C4' energy: -187.090
flat angles P-C4'-P energy: -126.010
tors. eta vs tors. theta energy: -240.562
Dist. restrs. and SS energy: 4.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2736.527842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.527842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.960182 (E_RNA)
where:
Base-Base interactions energy: -1868.147
where: short stacking energy: -822.020
Base-Backbone interact. energy: -1.468
local terms energy: -870.344912
where:
bonds (distance) C4'-P energy: -156.861
bonds (distance) P-C4' energy: -161.116
flat angles C4'-P-C4' energy: -188.945
flat angles P-C4'-P energy: -115.180
tors. eta vs tors. theta energy: -248.244
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: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2574.288700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.288700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.566147 (E_RNA)
where:
Base-Base interactions energy: -1771.584
where: short stacking energy: -744.364
Base-Backbone interact. energy: 2.843
local terms energy: -806.825611
where:
bonds (distance) C4'-P energy: -147.725
bonds (distance) P-C4' energy: -157.964
flat angles C4'-P-C4' energy: -183.929
flat angles P-C4'-P energy: -107.739
tors. eta vs tors. theta energy: -209.468
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2346.263792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.263792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.250830 (E_RNA)
where:
Base-Base interactions energy: -1613.849
where: short stacking energy: -703.424
Base-Backbone interact. energy: -1.223
local terms energy: -733.178647
where:
bonds (distance) C4'-P energy: -143.151
bonds (distance) P-C4' energy: -128.198
flat angles C4'-P-C4' energy: -161.986
flat angles P-C4'-P energy: -113.913
tors. eta vs tors. theta energy: -185.931
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2259.529609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.529609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.514616 (E_RNA)
where:
Base-Base interactions energy: -1549.825
where: short stacking energy: -671.032
Base-Backbone interact. energy: 1.160
local terms energy: -712.849923
where:
bonds (distance) C4'-P energy: -131.584
bonds (distance) P-C4' energy: -149.874
flat angles C4'-P-C4' energy: -147.508
flat angles P-C4'-P energy: -92.747
tors. eta vs tors. theta energy: -191.136
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: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2107.037592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.037592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.403749 (E_RNA)
where:
Base-Base interactions energy: -1436.436
where: short stacking energy: -632.162
Base-Backbone interact. energy: 1.894
local terms energy: -674.861588
where:
bonds (distance) C4'-P energy: -144.904
bonds (distance) P-C4' energy: -122.078
flat angles C4'-P-C4' energy: -136.143
flat angles P-C4'-P energy: -104.596
tors. eta vs tors. theta energy: -167.140
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: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2020.869706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.869706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.533345 (E_RNA)
where:
Base-Base interactions energy: -1370.918
where: short stacking energy: -577.563
Base-Backbone interact. energy: 1.121
local terms energy: -657.735978
where:
bonds (distance) C4'-P energy: -111.843
bonds (distance) P-C4' energy: -151.808
flat angles C4'-P-C4' energy: -141.173
flat angles P-C4'-P energy: -100.092
tors. eta vs tors. theta energy: -152.821
Dist. restrs. and SS energy: 6.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1973.231120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.231120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.256150 (E_RNA)
where:
Base-Base interactions energy: -1371.833
where: short stacking energy: -577.319
Base-Backbone interact. energy: 3.302
local terms energy: -606.724823
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -130.529
flat angles C4'-P-C4' energy: -129.767
flat angles P-C4'-P energy: -82.725
tors. eta vs tors. theta energy: -134.471
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: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1911.707092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.707092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.378870 (E_RNA)
where:
Base-Base interactions energy: -1308.812
where: short stacking energy: -528.100
Base-Backbone interact. energy: -0.034
local terms energy: -605.533593
where:
bonds (distance) C4'-P energy: -106.383
bonds (distance) P-C4' energy: -141.937
flat angles C4'-P-C4' energy: -137.737
flat angles P-C4'-P energy: -87.943
tors. eta vs tors. theta energy: -131.534
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: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2945.190162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.190162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.635457 (E_RNA)
where:
Base-Base interactions energy: -2062.711
where: short stacking energy: -839.257
Base-Backbone interact. energy: -2.344
local terms energy: -880.580187
where:
bonds (distance) C4'-P energy: -158.471
bonds (distance) P-C4' energy: -166.192
flat angles C4'-P-C4' energy: -188.607
flat angles P-C4'-P energy: -120.898
tors. eta vs tors. theta energy: -246.412
Dist. restrs. and SS energy: 0.445 (S_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: 459
Temperature: 0.950000
Total energy: -2840.018606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.018606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.103622 (E_RNA)
where:
Base-Base interactions energy: -1967.507
where: short stacking energy: -834.794
Base-Backbone interact. energy: 2.048
local terms energy: -876.643831
where:
bonds (distance) C4'-P energy: -152.346
bonds (distance) P-C4' energy: -154.856
flat angles C4'-P-C4' energy: -194.290
flat angles P-C4'-P energy: -122.668
tors. eta vs tors. theta energy: -252.483
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: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2754.117166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.117166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.713507 (E_RNA)
where:
Base-Base interactions energy: -1906.191
where: short stacking energy: -797.471
Base-Backbone interact. energy: -4.000
local terms energy: -846.522688
where:
bonds (distance) C4'-P energy: -149.521
bonds (distance) P-C4' energy: -145.179
flat angles C4'-P-C4' energy: -187.959
flat angles P-C4'-P energy: -123.119
tors. eta vs tors. theta energy: -240.745
Dist. restrs. and SS energy: 2.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2513.263425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.263425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.325126 (E_RNA)
where:
Base-Base interactions energy: -1711.489
where: short stacking energy: -724.689
Base-Backbone interact. energy: -2.871
local terms energy: -800.964830
where:
bonds (distance) C4'-P energy: -135.148
bonds (distance) P-C4' energy: -141.613
flat angles C4'-P-C4' energy: -182.715
flat angles P-C4'-P energy: -128.638
tors. eta vs tors. theta energy: -212.851
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: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2366.533010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.533010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.643820 (E_RNA)
where:
Base-Base interactions energy: -1596.053
where: short stacking energy: -672.528
Base-Backbone interact. energy: -0.417
local terms energy: -773.173639
where:
bonds (distance) C4'-P energy: -151.977
bonds (distance) P-C4' energy: -150.561
flat angles C4'-P-C4' energy: -161.215
flat angles P-C4'-P energy: -106.529
tors. eta vs tors. theta energy: -202.893
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2251.062642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.062642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.079531 (E_RNA)
where:
Base-Base interactions energy: -1520.447
where: short stacking energy: -652.028
Base-Backbone interact. energy: -1.763
local terms energy: -730.868885
where:
bonds (distance) C4'-P energy: -137.966
bonds (distance) P-C4' energy: -137.464
flat angles C4'-P-C4' energy: -166.815
flat angles P-C4'-P energy: -109.924
tors. eta vs tors. theta energy: -178.700
Dist. restrs. and SS energy: 2.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2050.131645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.131645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.469505 (E_RNA)
where:
Base-Base interactions energy: -1365.215
where: short stacking energy: -589.744
Base-Backbone interact. energy: 2.358
local terms energy: -689.613031
where:
bonds (distance) C4'-P energy: -137.400
bonds (distance) P-C4' energy: -146.936
flat angles C4'-P-C4' energy: -141.741
flat angles P-C4'-P energy: -107.315
tors. eta vs tors. theta energy: -156.220
Dist. restrs. and SS energy: 2.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2078.987895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.987895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.268190 (E_RNA)
where:
Base-Base interactions energy: -1427.564
where: short stacking energy: -595.684
Base-Backbone interact. energy: 0.352
local terms energy: -655.055910
where:
bonds (distance) C4'-P energy: -137.027
bonds (distance) P-C4' energy: -127.578
flat angles C4'-P-C4' energy: -150.378
flat angles P-C4'-P energy: -96.572
tors. eta vs tors. theta energy: -143.500
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: 459
Temperature: 1.300000
Total energy: -2044.492880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.492880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.764029 (E_RNA)
where:
Base-Base interactions energy: -1371.391
where: short stacking energy: -577.874
Base-Backbone interact. energy: 4.109
local terms energy: -680.481895
where:
bonds (distance) C4'-P energy: -136.513
bonds (distance) P-C4' energy: -134.248
flat angles C4'-P-C4' energy: -156.805
flat angles P-C4'-P energy: -98.169
tors. eta vs tors. theta energy: -154.747
Dist. restrs. and SS energy: 3.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1927.644953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.644953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.498035 (E_RNA)
where:
Base-Base interactions energy: -1296.678
where: short stacking energy: -553.604
Base-Backbone interact. energy: -2.105
local terms energy: -632.715032
where:
bonds (distance) C4'-P energy: -111.386
bonds (distance) P-C4' energy: -139.753
flat angles C4'-P-C4' energy: -147.865
flat angles P-C4'-P energy: -88.558
tors. eta vs tors. theta energy: -145.152
Dist. restrs. and SS energy: 3.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2933.193443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.193443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.887459 (E_RNA)
where:
Base-Base interactions energy: -2043.198
where: short stacking energy: -841.937
Base-Backbone interact. energy: -3.569
local terms energy: -888.119811
where:
bonds (distance) C4'-P energy: -177.542
bonds (distance) P-C4' energy: -159.348
flat angles C4'-P-C4' energy: -178.327
flat angles P-C4'-P energy: -120.212
tors. eta vs tors. theta energy: -252.691
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: 460
Temperature: 0.950000
Total energy: -2833.887196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.887196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.343053 (E_RNA)
where:
Base-Base interactions energy: -1952.511
where: short stacking energy: -839.395
Base-Backbone interact. energy: -2.001
local terms energy: -881.831152
where:
bonds (distance) C4'-P energy: -166.920
bonds (distance) P-C4' energy: -162.058
flat angles C4'-P-C4' energy: -183.436
flat angles P-C4'-P energy: -113.743
tors. eta vs tors. theta energy: -255.675
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: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2738.762799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.762799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.927052 (E_RNA)
where:
Base-Base interactions energy: -1916.396
where: short stacking energy: -781.687
Base-Backbone interact. energy: 0.119
local terms energy: -826.650078
where:
bonds (distance) C4'-P energy: -146.621
bonds (distance) P-C4' energy: -149.801
flat angles C4'-P-C4' energy: -183.403
flat angles P-C4'-P energy: -124.078
tors. eta vs tors. theta energy: -222.747
Dist. restrs. and SS energy: 4.164 (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: 460
Temperature: 1.050000
Total energy: -2531.269784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.269784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.983249 (E_RNA)
where:
Base-Base interactions energy: -1753.178
where: short stacking energy: -746.870
Base-Backbone interact. energy: -0.659
local terms energy: -779.146086
where:
bonds (distance) C4'-P energy: -131.473
bonds (distance) P-C4' energy: -148.591
flat angles C4'-P-C4' energy: -183.175
flat angles P-C4'-P energy: -112.308
tors. eta vs tors. theta energy: -203.600
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2341.382826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.382826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.324400 (E_RNA)
where:
Base-Base interactions energy: -1606.192
where: short stacking energy: -706.110
Base-Backbone interact. energy: -1.115
local terms energy: -736.017477
where:
bonds (distance) C4'-P energy: -136.695
bonds (distance) P-C4' energy: -144.926
flat angles C4'-P-C4' energy: -143.772
flat angles P-C4'-P energy: -114.103
tors. eta vs tors. theta energy: -196.522
Dist. restrs. and SS energy: 1.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2308.214379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.214379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.141902 (E_RNA)
where:
Base-Base interactions energy: -1579.276
where: short stacking energy: -663.268
Base-Backbone interact. energy: 3.846
local terms energy: -736.712223
where:
bonds (distance) C4'-P energy: -146.857
bonds (distance) P-C4' energy: -141.610
flat angles C4'-P-C4' energy: -143.123
flat angles P-C4'-P energy: -110.837
tors. eta vs tors. theta energy: -194.285
Dist. restrs. and SS energy: 3.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2089.385944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.385944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.511381 (E_RNA)
where:
Base-Base interactions energy: -1407.241
where: short stacking energy: -625.446
Base-Backbone interact. energy: 1.159
local terms energy: -685.429746
where:
bonds (distance) C4'-P energy: -131.359
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -146.649
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -177.281
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: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2070.017454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.017454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.743018 (E_RNA)
where:
Base-Base interactions energy: -1432.579
where: short stacking energy: -596.090
Base-Backbone interact. energy: -0.927
local terms energy: -639.236676
where:
bonds (distance) C4'-P energy: -103.788
bonds (distance) P-C4' energy: -146.356
flat angles C4'-P-C4' energy: -159.512
flat angles P-C4'-P energy: -89.341
tors. eta vs tors. theta energy: -140.240
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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -2013.949153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.949153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.839862 (E_RNA)
where:
Base-Base interactions energy: -1381.958
where: short stacking energy: -579.282
Base-Backbone interact. energy: -2.709
local terms energy: -631.173482
where:
bonds (distance) C4'-P energy: -113.975
bonds (distance) P-C4' energy: -149.831
flat angles C4'-P-C4' energy: -133.696
flat angles P-C4'-P energy: -76.725
tors. eta vs tors. theta energy: -156.946
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1875.995929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.995929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.665945 (E_RNA)
where:
Base-Base interactions energy: -1276.104
where: short stacking energy: -545.459
Base-Backbone interact. energy: 6.344
local terms energy: -611.906358
where:
bonds (distance) C4'-P energy: -123.911
bonds (distance) P-C4' energy: -138.577
flat angles C4'-P-C4' energy: -147.862
flat angles P-C4'-P energy: -78.433
tors. eta vs tors. theta energy: -123.124
Dist. restrs. and SS energy: 5.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2941.102523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.102523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2942.299411 (E_RNA)
where:
Base-Base interactions energy: -2040.374
where: short stacking energy: -851.612
Base-Backbone interact. energy: -1.526
local terms energy: -900.399522
where:
bonds (distance) C4'-P energy: -175.484
bonds (distance) P-C4' energy: -160.334
flat angles C4'-P-C4' energy: -184.570
flat angles P-C4'-P energy: -126.078
tors. eta vs tors. theta energy: -253.934
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: 461
Temperature: 0.950000
Total energy: -2886.008509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2886.008509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.178026 (E_RNA)
where:
Base-Base interactions energy: -1987.353
where: short stacking energy: -850.860
Base-Backbone interact. energy: -0.637
local terms energy: -900.188447
where:
bonds (distance) C4'-P energy: -167.921
bonds (distance) P-C4' energy: -164.362
flat angles C4'-P-C4' energy: -189.747
flat angles P-C4'-P energy: -131.415
tors. eta vs tors. theta energy: -246.744
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: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2698.301406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.301406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.886274 (E_RNA)
where:
Base-Base interactions energy: -1871.104
where: short stacking energy: -775.415
Base-Backbone interact. energy: -1.131
local terms energy: -829.651071
where:
bonds (distance) C4'-P energy: -158.246
bonds (distance) P-C4' energy: -168.379
flat angles C4'-P-C4' energy: -165.935
flat angles P-C4'-P energy: -116.807
tors. eta vs tors. theta energy: -220.283
Dist. restrs. and SS energy: 3.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2563.731197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.731197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.936257 (E_RNA)
where:
Base-Base interactions energy: -1778.313
where: short stacking energy: -754.707
Base-Backbone interact. energy: -0.317
local terms energy: -786.305924
where:
bonds (distance) C4'-P energy: -136.921
bonds (distance) P-C4' energy: -159.100
flat angles C4'-P-C4' energy: -173.624
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -217.887
Dist. restrs. and SS energy: 1.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2379.345714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.345714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.386676 (E_RNA)
where:
Base-Base interactions energy: -1610.564
where: short stacking energy: -702.988
Base-Backbone interact. energy: -4.393
local terms energy: -766.428932
where:
bonds (distance) C4'-P energy: -148.717
bonds (distance) P-C4' energy: -150.248
flat angles C4'-P-C4' energy: -160.640
flat angles P-C4'-P energy: -102.134
tors. eta vs tors. theta energy: -204.690
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: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2290.073101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.073101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.956556 (E_RNA)
where:
Base-Base interactions energy: -1638.847
where: short stacking energy: -708.496
Base-Backbone interact. energy: 6.973
local terms energy: -661.083118
where:
bonds (distance) C4'-P energy: -131.455
bonds (distance) P-C4' energy: -92.199
flat angles C4'-P-C4' energy: -158.717
flat angles P-C4'-P energy: -97.858
tors. eta vs tors. theta energy: -180.854
Dist. restrs. and SS energy: 2.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2089.746298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.746298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.332044 (E_RNA)
where:
Base-Base interactions energy: -1404.288
where: short stacking energy: -613.136
Base-Backbone interact. energy: -1.865
local terms energy: -685.179806
where:
bonds (distance) C4'-P energy: -136.836
bonds (distance) P-C4' energy: -136.018
flat angles C4'-P-C4' energy: -155.346
flat angles P-C4'-P energy: -100.041
tors. eta vs tors. theta energy: -156.938
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2059.838023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.838023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.437898 (E_RNA)
where:
Base-Base interactions energy: -1421.449
where: short stacking energy: -565.958
Base-Backbone interact. energy: 2.166
local terms energy: -642.154584
where:
bonds (distance) C4'-P energy: -113.775
bonds (distance) P-C4' energy: -135.877
flat angles C4'-P-C4' energy: -158.022
flat angles P-C4'-P energy: -97.465
tors. eta vs tors. theta energy: -137.015
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -2038.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.606000 (E_RNA)
where:
Base-Base interactions energy: -1370.108
where: short stacking energy: -581.455
Base-Backbone interact. energy: -2.184
local terms energy: -667.314296
where:
bonds (distance) C4'-P energy: -137.418
bonds (distance) P-C4' energy: -122.802
flat angles C4'-P-C4' energy: -153.202
flat angles P-C4'-P energy: -99.893
tors. eta vs tors. theta energy: -154.000
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: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1880.984229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.984229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.706396 (E_RNA)
where:
Base-Base interactions energy: -1289.914
where: short stacking energy: -538.786
Base-Backbone interact. energy: -1.398
local terms energy: -593.393747
where:
bonds (distance) C4'-P energy: -104.647
bonds (distance) P-C4' energy: -118.136
flat angles C4'-P-C4' energy: -136.495
flat angles P-C4'-P energy: -95.054
tors. eta vs tors. theta energy: -139.062
Dist. restrs. and SS energy: 3.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2954.688204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.688204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.386648 (E_RNA)
where:
Base-Base interactions energy: -2036.863
where: short stacking energy: -832.421
Base-Backbone interact. energy: 2.206
local terms energy: -920.729927
where:
bonds (distance) C4'-P energy: -175.178
bonds (distance) P-C4' energy: -174.919
flat angles C4'-P-C4' energy: -186.732
flat angles P-C4'-P energy: -132.515
tors. eta vs tors. theta energy: -251.386
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2826.176658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.176658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.873358 (E_RNA)
where:
Base-Base interactions energy: -1942.535
where: short stacking energy: -842.883
Base-Backbone interact. energy: -3.410
local terms energy: -881.928757
where:
bonds (distance) C4'-P energy: -138.902
bonds (distance) P-C4' energy: -163.489
flat angles C4'-P-C4' energy: -196.060
flat angles P-C4'-P energy: -123.806
tors. eta vs tors. theta energy: -259.672
Dist. restrs. and SS energy: 1.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2742.858747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.858747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.421099 (E_RNA)
where:
Base-Base interactions energy: -1901.436
where: short stacking energy: -800.560
Base-Backbone interact. energy: -3.619
local terms energy: -840.365661
where:
bonds (distance) C4'-P energy: -152.687
bonds (distance) P-C4' energy: -154.718
flat angles C4'-P-C4' energy: -184.428
flat angles P-C4'-P energy: -124.002
tors. eta vs tors. theta energy: -224.530
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2581.840565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.840565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.286672 (E_RNA)
where:
Base-Base interactions energy: -1797.567
where: short stacking energy: -770.173
Base-Backbone interact. energy: 0.839
local terms energy: -787.559196
where:
bonds (distance) C4'-P energy: -135.585
bonds (distance) P-C4' energy: -152.894
flat angles C4'-P-C4' energy: -175.786
flat angles P-C4'-P energy: -100.548
tors. eta vs tors. theta energy: -222.745
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: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2363.300198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.425326 (E_RNA)
where:
Base-Base interactions energy: -1646.712
where: short stacking energy: -696.339
Base-Backbone interact. energy: -2.187
local terms energy: -715.526361
where:
bonds (distance) C4'-P energy: -126.631
bonds (distance) P-C4' energy: -134.457
flat angles C4'-P-C4' energy: -172.725
flat angles P-C4'-P energy: -98.955
tors. eta vs tors. theta energy: -182.759
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2322.806026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.806026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.022490 (E_RNA)
where:
Base-Base interactions energy: -1592.117
where: short stacking energy: -673.913
Base-Backbone interact. energy: 6.136
local terms energy: -739.041688
where:
bonds (distance) C4'-P energy: -138.587
bonds (distance) P-C4' energy: -140.881
flat angles C4'-P-C4' energy: -167.333
flat angles P-C4'-P energy: -101.571
tors. eta vs tors. theta energy: -190.670
Dist. restrs. and SS energy: 2.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2089.909453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.909453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.360325 (E_RNA)
where:
Base-Base interactions energy: -1377.058
where: short stacking energy: -592.951
Base-Backbone interact. energy: 1.216
local terms energy: -716.518272
where:
bonds (distance) C4'-P energy: -143.401
bonds (distance) P-C4' energy: -167.355
flat angles C4'-P-C4' energy: -152.926
flat angles P-C4'-P energy: -105.091
tors. eta vs tors. theta energy: -147.746
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: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2028.442482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.442482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.891766 (E_RNA)
where:
Base-Base interactions energy: -1371.879
where: short stacking energy: -601.691
Base-Backbone interact. energy: -0.108
local terms energy: -658.904370
where:
bonds (distance) C4'-P energy: -115.051
bonds (distance) P-C4' energy: -132.052
flat angles C4'-P-C4' energy: -144.890
flat angles P-C4'-P energy: -107.706
tors. eta vs tors. theta energy: -159.205
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: 462
Temperature: 1.300000
Total energy: -1961.172859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.172859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.092589 (E_RNA)
where:
Base-Base interactions energy: -1293.669
where: short stacking energy: -515.503
Base-Backbone interact. energy: -1.349
local terms energy: -669.075283
where:
bonds (distance) C4'-P energy: -124.757
bonds (distance) P-C4' energy: -146.224
flat angles C4'-P-C4' energy: -145.681
flat angles P-C4'-P energy: -108.198
tors. eta vs tors. theta energy: -144.215
Dist. restrs. and SS energy: 2.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1909.395713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.395713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.865977 (E_RNA)
where:
Base-Base interactions energy: -1314.319
where: short stacking energy: -545.808
Base-Backbone interact. energy: 1.499
local terms energy: -600.046115
where:
bonds (distance) C4'-P energy: -113.794
bonds (distance) P-C4' energy: -131.409
flat angles C4'-P-C4' energy: -128.636
flat angles P-C4'-P energy: -77.165
tors. eta vs tors. theta energy: -149.041
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2937.148279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.148279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.916346 (E_RNA)
where:
Base-Base interactions energy: -2048.974
where: short stacking energy: -849.025
Base-Backbone interact. energy: 3.960
local terms energy: -894.902055
where:
bonds (distance) C4'-P energy: -161.176
bonds (distance) P-C4' energy: -159.591
flat angles C4'-P-C4' energy: -185.686
flat angles P-C4'-P energy: -129.580
tors. eta vs tors. theta energy: -258.869
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2814.090141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.090141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.956973 (E_RNA)
where:
Base-Base interactions energy: -1952.434
where: short stacking energy: -844.340
Base-Backbone interact. energy: 1.025
local terms energy: -865.548230
where:
bonds (distance) C4'-P energy: -138.502
bonds (distance) P-C4' energy: -162.054
flat angles C4'-P-C4' energy: -184.922
flat angles P-C4'-P energy: -127.761
tors. eta vs tors. theta energy: -252.309
Dist. restrs. and SS energy: 2.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2755.461116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.461116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.840834 (E_RNA)
where:
Base-Base interactions energy: -1919.083
where: short stacking energy: -807.567
Base-Backbone interact. energy: -1.770
local terms energy: -836.986967
where:
bonds (distance) C4'-P energy: -155.722
bonds (distance) P-C4' energy: -149.259
flat angles C4'-P-C4' energy: -160.358
flat angles P-C4'-P energy: -122.795
tors. eta vs tors. theta energy: -248.854
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: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2567.503532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.503532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.590084 (E_RNA)
where:
Base-Base interactions energy: -1775.842
where: short stacking energy: -761.648
Base-Backbone interact. energy: 2.150
local terms energy: -795.897761
where:
bonds (distance) C4'-P energy: -158.105
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -169.419
flat angles P-C4'-P energy: -114.605
tors. eta vs tors. theta energy: -214.267
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: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2334.414783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.414783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.509128 (E_RNA)
where:
Base-Base interactions energy: -1555.810
where: short stacking energy: -675.563
Base-Backbone interact. energy: -1.521
local terms energy: -779.177759
where:
bonds (distance) C4'-P energy: -147.179
bonds (distance) P-C4' energy: -148.435
flat angles C4'-P-C4' energy: -170.692
flat angles P-C4'-P energy: -114.021
tors. eta vs tors. theta energy: -198.851
Dist. restrs. and SS energy: 2.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2290.635351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.635351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.460406 (E_RNA)
where:
Base-Base interactions energy: -1575.157
where: short stacking energy: -672.818
Base-Backbone interact. energy: 0.412
local terms energy: -717.714701
where:
bonds (distance) C4'-P energy: -141.133
bonds (distance) P-C4' energy: -133.948
flat angles C4'-P-C4' energy: -163.179
flat angles P-C4'-P energy: -92.424
tors. eta vs tors. theta energy: -187.032
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: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2069.601494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.601494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.530477 (E_RNA)
where:
Base-Base interactions energy: -1401.507
where: short stacking energy: -603.555
Base-Backbone interact. energy: 2.975
local terms energy: -672.998327
where:
bonds (distance) C4'-P energy: -130.896
bonds (distance) P-C4' energy: -136.713
flat angles C4'-P-C4' energy: -144.450
flat angles P-C4'-P energy: -114.766
tors. eta vs tors. theta energy: -146.174
Dist. restrs. and SS energy: 1.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2038.907492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.907492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.281934 (E_RNA)
where:
Base-Base interactions energy: -1396.466
where: short stacking energy: -594.508
Base-Backbone interact. energy: 2.687
local terms energy: -648.503429
where:
bonds (distance) C4'-P energy: -126.120
bonds (distance) P-C4' energy: -141.808
flat angles C4'-P-C4' energy: -155.785
flat angles P-C4'-P energy: -77.949
tors. eta vs tors. theta energy: -146.841
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: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1966.432712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.432712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.702995 (E_RNA)
where:
Base-Base interactions energy: -1330.886
where: short stacking energy: -544.558
Base-Backbone interact. energy: -1.533
local terms energy: -637.284687
where:
bonds (distance) C4'-P energy: -128.726
bonds (distance) P-C4' energy: -123.765
flat angles C4'-P-C4' energy: -131.015
flat angles P-C4'-P energy: -95.056
tors. eta vs tors. theta energy: -158.723
Dist. restrs. and SS energy: 3.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1902.699686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.699686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.501774 (E_RNA)
where:
Base-Base interactions energy: -1304.056
where: short stacking energy: -547.754
Base-Backbone interact. energy: 2.123
local terms energy: -603.568862
where:
bonds (distance) C4'-P energy: -124.954
bonds (distance) P-C4' energy: -127.743
flat angles C4'-P-C4' energy: -129.115
flat angles P-C4'-P energy: -71.469
tors. eta vs tors. theta energy: -150.288
Dist. restrs. and SS energy: 2.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2951.043300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.043300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.824502 (E_RNA)
where:
Base-Base interactions energy: -2071.011
where: short stacking energy: -846.759
Base-Backbone interact. energy: -1.938
local terms energy: -878.875061
where:
bonds (distance) C4'-P energy: -162.912
bonds (distance) P-C4' energy: -153.966
flat angles C4'-P-C4' energy: -187.549
flat angles P-C4'-P energy: -122.861
tors. eta vs tors. theta energy: -251.588
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2818.117929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.158094 (E_RNA)
where:
Base-Base interactions energy: -1938.383
where: short stacking energy: -825.220
Base-Backbone interact. energy: 1.608
local terms energy: -884.383259
where:
bonds (distance) C4'-P energy: -159.528
bonds (distance) P-C4' energy: -155.105
flat angles C4'-P-C4' energy: -190.923
flat angles P-C4'-P energy: -128.882
tors. eta vs tors. theta energy: -249.946
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2753.176155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.176155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.971974 (E_RNA)
where:
Base-Base interactions energy: -1918.274
where: short stacking energy: -782.779
Base-Backbone interact. energy: -2.495
local terms energy: -835.203050
where:
bonds (distance) C4'-P energy: -149.186
bonds (distance) P-C4' energy: -153.831
flat angles C4'-P-C4' energy: -176.345
flat angles P-C4'-P energy: -107.604
tors. eta vs tors. theta energy: -248.238
Dist. restrs. and SS energy: 2.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2540.757656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.757656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.045045 (E_RNA)
where:
Base-Base interactions energy: -1745.458
where: short stacking energy: -729.156
Base-Backbone interact. energy: 0.647
local terms energy: -797.234424
where:
bonds (distance) C4'-P energy: -142.669
bonds (distance) P-C4' energy: -154.948
flat angles C4'-P-C4' energy: -152.041
flat angles P-C4'-P energy: -128.706
tors. eta vs tors. theta energy: -218.871
Dist. restrs. and SS energy: 1.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2306.381534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.381534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.766826 (E_RNA)
where:
Base-Base interactions energy: -1567.828
where: short stacking energy: -682.101
Base-Backbone interact. energy: 6.752
local terms energy: -746.691080
where:
bonds (distance) C4'-P energy: -146.906
bonds (distance) P-C4' energy: -144.192
flat angles C4'-P-C4' energy: -159.841
flat angles P-C4'-P energy: -114.626
tors. eta vs tors. theta energy: -181.126
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2258.066854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.066854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.440141 (E_RNA)
where:
Base-Base interactions energy: -1532.997
where: short stacking energy: -667.803
Base-Backbone interact. energy: -1.165
local terms energy: -725.278272
where:
bonds (distance) C4'-P energy: -116.985
bonds (distance) P-C4' energy: -144.841
flat angles C4'-P-C4' energy: -157.057
flat angles P-C4'-P energy: -114.599
tors. eta vs tors. theta energy: -191.796
Dist. restrs. and SS energy: 1.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2124.073914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.073914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.857680 (E_RNA)
where:
Base-Base interactions energy: -1430.127
where: short stacking energy: -610.740
Base-Backbone interact. energy: 0.065
local terms energy: -696.795620
where:
bonds (distance) C4'-P energy: -142.773
bonds (distance) P-C4' energy: -131.404
flat angles C4'-P-C4' energy: -149.378
flat angles P-C4'-P energy: -95.295
tors. eta vs tors. theta energy: -177.946
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: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2023.588643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.588643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.568149 (E_RNA)
where:
Base-Base interactions energy: -1364.199
where: short stacking energy: -576.971
Base-Backbone interact. energy: 0.378
local terms energy: -662.747026
where:
bonds (distance) C4'-P energy: -132.105
bonds (distance) P-C4' energy: -134.211
flat angles C4'-P-C4' energy: -148.602
flat angles P-C4'-P energy: -93.015
tors. eta vs tors. theta energy: -154.813
Dist. restrs. and SS energy: 2.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1969.268332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.268332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.067126 (E_RNA)
where:
Base-Base interactions energy: -1374.648
where: short stacking energy: -567.079
Base-Backbone interact. energy: -1.186
local terms energy: -602.233377
where:
bonds (distance) C4'-P energy: -103.295
bonds (distance) P-C4' energy: -148.434
flat angles C4'-P-C4' energy: -146.549
flat angles P-C4'-P energy: -64.225
tors. eta vs tors. theta energy: -139.730
Dist. restrs. and SS energy: 8.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1890.501886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.501886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.936478 (E_RNA)
where:
Base-Base interactions energy: -1331.349
where: short stacking energy: -553.554
Base-Backbone interact. energy: 4.931
local terms energy: -567.518359
where:
bonds (distance) C4'-P energy: -103.715
bonds (distance) P-C4' energy: -137.012
flat angles C4'-P-C4' energy: -142.026
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -132.193
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: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2929.522712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.522712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.260568 (E_RNA)
where:
Base-Base interactions energy: -2030.751
where: short stacking energy: -840.651
Base-Backbone interact. energy: -6.434
local terms energy: -893.075881
where:
bonds (distance) C4'-P energy: -161.045
bonds (distance) P-C4' energy: -165.891
flat angles C4'-P-C4' energy: -193.097
flat angles P-C4'-P energy: -121.843
tors. eta vs tors. theta energy: -251.201
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2822.368534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.368534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.058156 (E_RNA)
where:
Base-Base interactions energy: -1967.662
where: short stacking energy: -804.907
Base-Backbone interact. energy: -2.630
local terms energy: -854.766070
where:
bonds (distance) C4'-P energy: -140.669
bonds (distance) P-C4' energy: -163.679
flat angles C4'-P-C4' energy: -182.885
flat angles P-C4'-P energy: -119.632
tors. eta vs tors. theta energy: -247.901
Dist. restrs. and SS energy: 2.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2747.235726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.235726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.053846 (E_RNA)
where:
Base-Base interactions energy: -1902.838
where: short stacking energy: -777.706
Base-Backbone interact. energy: 2.637
local terms energy: -848.852788
where:
bonds (distance) C4'-P energy: -156.537
bonds (distance) P-C4' energy: -168.627
flat angles C4'-P-C4' energy: -182.813
flat angles P-C4'-P energy: -116.383
tors. eta vs tors. theta energy: -224.492
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2562.657041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.657041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.048705 (E_RNA)
where:
Base-Base interactions energy: -1763.180
where: short stacking energy: -761.198
Base-Backbone interact. energy: 1.087
local terms energy: -803.956079
where:
bonds (distance) C4'-P energy: -139.771
bonds (distance) P-C4' energy: -139.367
flat angles C4'-P-C4' energy: -170.955
flat angles P-C4'-P energy: -119.067
tors. eta vs tors. theta energy: -234.796
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2322.586839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.586839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.163060 (E_RNA)
where:
Base-Base interactions energy: -1551.309
where: short stacking energy: -664.259
Base-Backbone interact. energy: 1.934
local terms energy: -775.788129
where:
bonds (distance) C4'-P energy: -155.956
bonds (distance) P-C4' energy: -155.365
flat angles C4'-P-C4' energy: -170.826
flat angles P-C4'-P energy: -103.446
tors. eta vs tors. theta energy: -190.196
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: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2288.945987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.945987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.877351 (E_RNA)
where:
Base-Base interactions energy: -1560.290
where: short stacking energy: -676.610
Base-Backbone interact. energy: -2.313
local terms energy: -729.273802
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -140.169
flat angles C4'-P-C4' energy: -163.395
flat angles P-C4'-P energy: -97.932
tors. eta vs tors. theta energy: -187.480
Dist. restrs. and SS energy: 2.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2109.232834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.232834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.995548 (E_RNA)
where:
Base-Base interactions energy: -1418.704
where: short stacking energy: -623.741
Base-Backbone interact. energy: 1.155
local terms energy: -694.445806
where:
bonds (distance) C4'-P energy: -143.096
bonds (distance) P-C4' energy: -127.764
flat angles C4'-P-C4' energy: -156.632
flat angles P-C4'-P energy: -111.806
tors. eta vs tors. theta energy: -155.148
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1994.887195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.887195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.335466 (E_RNA)
where:
Base-Base interactions energy: -1350.266
where: short stacking energy: -565.021
Base-Backbone interact. energy: -2.038
local terms energy: -645.031520
where:
bonds (distance) C4'-P energy: -116.551
bonds (distance) P-C4' energy: -133.073
flat angles C4'-P-C4' energy: -157.725
flat angles P-C4'-P energy: -89.687
tors. eta vs tors. theta energy: -147.995
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1937.223636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.223636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.404624 (E_RNA)
where:
Base-Base interactions energy: -1318.378
where: short stacking energy: -544.522
Base-Backbone interact. energy: -3.147
local terms energy: -618.879619
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -133.016
flat angles C4'-P-C4' energy: -138.526
flat angles P-C4'-P energy: -96.267
tors. eta vs tors. theta energy: -144.654
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: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1886.833196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.833196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.174026 (E_RNA)
where:
Base-Base interactions energy: -1260.420
where: short stacking energy: -521.819
Base-Backbone interact. energy: -4.419
local terms energy: -625.335011
where:
bonds (distance) C4'-P energy: -149.138
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -132.700
flat angles P-C4'-P energy: -79.641
tors. eta vs tors. theta energy: -132.143
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: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2951.502969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.502969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.397279 (E_RNA)
where:
Base-Base interactions energy: -2059.551
where: short stacking energy: -861.993
Base-Backbone interact. energy: -2.941
local terms energy: -890.904784
where:
bonds (distance) C4'-P energy: -145.378
bonds (distance) P-C4' energy: -154.610
flat angles C4'-P-C4' energy: -194.625
flat angles P-C4'-P energy: -129.759
tors. eta vs tors. theta energy: -266.532
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: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2819.217516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.217516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.053174 (E_RNA)
where:
Base-Base interactions energy: -1953.150
where: short stacking energy: -826.549
Base-Backbone interact. energy: -1.786
local terms energy: -865.117526
where:
bonds (distance) C4'-P energy: -151.729
bonds (distance) P-C4' energy: -151.544
flat angles C4'-P-C4' energy: -181.425
flat angles P-C4'-P energy: -129.150
tors. eta vs tors. theta energy: -251.269
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2749.300908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.300908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.125206 (E_RNA)
where:
Base-Base interactions energy: -1925.770
where: short stacking energy: -805.966
Base-Backbone interact. energy: -0.456
local terms energy: -824.898616
where:
bonds (distance) C4'-P energy: -140.199
bonds (distance) P-C4' energy: -146.716
flat angles C4'-P-C4' energy: -171.230
flat angles P-C4'-P energy: -124.980
tors. eta vs tors. theta energy: -241.773
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: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2545.768992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.768992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.762341 (E_RNA)
where:
Base-Base interactions energy: -1754.680
where: short stacking energy: -753.555
Base-Backbone interact. energy: -0.685
local terms energy: -793.398118
where:
bonds (distance) C4'-P energy: -153.579
bonds (distance) P-C4' energy: -140.069
flat angles C4'-P-C4' energy: -156.341
flat angles P-C4'-P energy: -117.045
tors. eta vs tors. theta energy: -226.364
Dist. restrs. and SS energy: 2.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2371.226182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.226182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.009210 (E_RNA)
where:
Base-Base interactions energy: -1625.213
where: short stacking energy: -712.899
Base-Backbone interact. energy: 1.141
local terms energy: -748.937606
where:
bonds (distance) C4'-P energy: -132.286
bonds (distance) P-C4' energy: -152.494
flat angles C4'-P-C4' energy: -176.610
flat angles P-C4'-P energy: -100.045
tors. eta vs tors. theta energy: -187.504
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: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2198.373863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.373863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.491903 (E_RNA)
where:
Base-Base interactions energy: -1491.159
where: short stacking energy: -629.383
Base-Backbone interact. energy: -1.622
local terms energy: -707.710956
where:
bonds (distance) C4'-P energy: -133.421
bonds (distance) P-C4' energy: -149.885
flat angles C4'-P-C4' energy: -159.453
flat angles P-C4'-P energy: -99.839
tors. eta vs tors. theta energy: -165.112
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: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2109.037685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.037685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.311305 (E_RNA)
where:
Base-Base interactions energy: -1420.855
where: short stacking energy: -601.133
Base-Backbone interact. energy: 7.476
local terms energy: -696.931590
where:
bonds (distance) C4'-P energy: -142.273
bonds (distance) P-C4' energy: -126.808
flat angles C4'-P-C4' energy: -146.439
flat angles P-C4'-P energy: -114.091
tors. eta vs tors. theta energy: -167.320
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: 8, replica: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2039.869794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.869794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.396740 (E_RNA)
where:
Base-Base interactions energy: -1383.295
where: short stacking energy: -604.486
Base-Backbone interact. energy: -0.574
local terms energy: -658.527932
where:
bonds (distance) C4'-P energy: -130.127
bonds (distance) P-C4' energy: -147.975
flat angles C4'-P-C4' energy: -153.164
flat angles P-C4'-P energy: -83.250
tors. eta vs tors. theta energy: -144.011
Dist. restrs. and SS energy: 2.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -2013.669633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.669633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.448426 (E_RNA)
where:
Base-Base interactions energy: -1352.451
where: short stacking energy: -574.457
Base-Backbone interact. energy: 2.372
local terms energy: -665.369466
where:
bonds (distance) C4'-P energy: -137.584
bonds (distance) P-C4' energy: -126.135
flat angles C4'-P-C4' energy: -138.761
flat angles P-C4'-P energy: -106.708
tors. eta vs tors. theta energy: -156.182
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: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1838.834212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.834212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.916864 (E_RNA)
where:
Base-Base interactions energy: -1267.307
where: short stacking energy: -504.017
Base-Backbone interact. energy: 0.648
local terms energy: -576.257075
where:
bonds (distance) C4'-P energy: -113.388
bonds (distance) P-C4' energy: -140.980
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -96.698
tors. eta vs tors. theta energy: -112.133
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2949.147759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.147759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.991995 (E_RNA)
where:
Base-Base interactions energy: -2059.539
where: short stacking energy: -849.775
Base-Backbone interact. energy: -2.812
local terms energy: -888.640768
where:
bonds (distance) C4'-P energy: -143.008
bonds (distance) P-C4' energy: -164.498
flat angles C4'-P-C4' energy: -185.744
flat angles P-C4'-P energy: -135.201
tors. eta vs tors. theta energy: -260.189
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2801.646650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.646650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.374927 (E_RNA)
where:
Base-Base interactions energy: -1950.564
where: short stacking energy: -820.027
Base-Backbone interact. energy: -3.698
local terms energy: -849.112937
where:
bonds (distance) C4'-P energy: -155.064
bonds (distance) P-C4' energy: -147.344
flat angles C4'-P-C4' energy: -182.982
flat angles P-C4'-P energy: -118.735
tors. eta vs tors. theta energy: -244.988
Dist. restrs. and SS energy: 1.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2725.930758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.930758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.534992 (E_RNA)
where:
Base-Base interactions energy: -1912.377
where: short stacking energy: -829.663
Base-Backbone interact. energy: 2.761
local terms energy: -817.919126
where:
bonds (distance) C4'-P energy: -136.137
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -180.221
flat angles P-C4'-P energy: -111.726
tors. eta vs tors. theta energy: -242.221
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: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2577.042203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.042203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.508668 (E_RNA)
where:
Base-Base interactions energy: -1755.540
where: short stacking energy: -778.783
Base-Backbone interact. energy: 0.097
local terms energy: -824.066271
where:
bonds (distance) C4'-P energy: -151.046
bonds (distance) P-C4' energy: -141.294
flat angles C4'-P-C4' energy: -191.575
flat angles P-C4'-P energy: -110.329
tors. eta vs tors. theta energy: -229.823
Dist. restrs. and SS energy: 2.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2343.093954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.093954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.988682 (E_RNA)
where:
Base-Base interactions energy: -1579.434
where: short stacking energy: -700.702
Base-Backbone interact. energy: 5.062
local terms energy: -771.616687
where:
bonds (distance) C4'-P energy: -143.801
bonds (distance) P-C4' energy: -148.371
flat angles C4'-P-C4' energy: -175.090
flat angles P-C4'-P energy: -111.698
tors. eta vs tors. theta energy: -192.657
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2242.360577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.360577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.339885 (E_RNA)
where:
Base-Base interactions energy: -1524.631
where: short stacking energy: -653.436
Base-Backbone interact. energy: -4.396
local terms energy: -715.313384
where:
bonds (distance) C4'-P energy: -132.547
bonds (distance) P-C4' energy: -152.068
flat angles C4'-P-C4' energy: -160.399
flat angles P-C4'-P energy: -89.327
tors. eta vs tors. theta energy: -180.972
Dist. restrs. and SS energy: 1.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2142.357346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.357346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.277008 (E_RNA)
where:
Base-Base interactions energy: -1453.928
where: short stacking energy: -636.926
Base-Backbone interact. energy: 1.182
local terms energy: -692.531582
where:
bonds (distance) C4'-P energy: -129.011
bonds (distance) P-C4' energy: -139.315
flat angles C4'-P-C4' energy: -152.405
flat angles P-C4'-P energy: -96.579
tors. eta vs tors. theta energy: -175.222
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: 8, replica: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2043.926098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.926098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.578665 (E_RNA)
where:
Base-Base interactions energy: -1416.046
where: short stacking energy: -619.175
Base-Backbone interact. energy: 6.581
local terms energy: -637.114501
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -142.965
flat angles C4'-P-C4' energy: -125.740
flat angles P-C4'-P energy: -95.009
tors. eta vs tors. theta energy: -157.841
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: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1928.104750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.104750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.435296 (E_RNA)
where:
Base-Base interactions energy: -1329.658
where: short stacking energy: -554.303
Base-Backbone interact. energy: -1.953
local terms energy: -598.824280
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -143.691
flat angles P-C4'-P energy: -76.969
tors. eta vs tors. theta energy: -133.959
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: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1841.510965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.510965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.426691 (E_RNA)
where:
Base-Base interactions energy: -1225.979
where: short stacking energy: -501.277
Base-Backbone interact. energy: 3.680
local terms energy: -625.128139
where:
bonds (distance) C4'-P energy: -140.840
bonds (distance) P-C4' energy: -123.715
flat angles C4'-P-C4' energy: -138.417
flat angles P-C4'-P energy: -95.241
tors. eta vs tors. theta energy: -126.915
Dist. restrs. and SS energy: 5.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2936.824346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.824346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.342808 (E_RNA)
where:
Base-Base interactions energy: -2057.899
where: short stacking energy: -835.686
Base-Backbone interact. energy: -5.348
local terms energy: -876.095891
where:
bonds (distance) C4'-P energy: -146.739
bonds (distance) P-C4' energy: -162.304
flat angles C4'-P-C4' energy: -178.812
flat angles P-C4'-P energy: -138.401
tors. eta vs tors. theta energy: -249.840
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2815.813424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.813424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.049784 (E_RNA)
where:
Base-Base interactions energy: -1957.274
where: short stacking energy: -810.222
Base-Backbone interact. energy: -1.466
local terms energy: -859.309266
where:
bonds (distance) C4'-P energy: -150.011
bonds (distance) P-C4' energy: -174.860
flat angles C4'-P-C4' energy: -172.430
flat angles P-C4'-P energy: -121.291
tors. eta vs tors. theta energy: -240.718
Dist. restrs. and SS energy: 2.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2688.185915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.185915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.496728 (E_RNA)
where:
Base-Base interactions energy: -1854.653
where: short stacking energy: -793.692
Base-Backbone interact. energy: -6.263
local terms energy: -828.581370
where:
bonds (distance) C4'-P energy: -129.044
bonds (distance) P-C4' energy: -161.913
flat angles C4'-P-C4' energy: -185.822
flat angles P-C4'-P energy: -116.706
tors. eta vs tors. theta energy: -235.097
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: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2554.766842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.766842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.365598 (E_RNA)
where:
Base-Base interactions energy: -1746.881
where: short stacking energy: -743.882
Base-Backbone interact. energy: 2.255
local terms energy: -812.739738
where:
bonds (distance) C4'-P energy: -141.885
bonds (distance) P-C4' energy: -159.843
flat angles C4'-P-C4' energy: -174.538
flat angles P-C4'-P energy: -126.308
tors. eta vs tors. theta energy: -210.164
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: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2362.298413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.298413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.084933 (E_RNA)
where:
Base-Base interactions energy: -1615.633
where: short stacking energy: -688.282
Base-Backbone interact. energy: -0.944
local terms energy: -746.507373
where:
bonds (distance) C4'-P energy: -129.761
bonds (distance) P-C4' energy: -151.526
flat angles C4'-P-C4' energy: -174.705
flat angles P-C4'-P energy: -107.412
tors. eta vs tors. theta energy: -183.103
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2238.859947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.859947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.174596 (E_RNA)
where:
Base-Base interactions energy: -1550.539
where: short stacking energy: -665.366
Base-Backbone interact. energy: -3.591
local terms energy: -688.043950
where:
bonds (distance) C4'-P energy: -139.197
bonds (distance) P-C4' energy: -115.864
flat angles C4'-P-C4' energy: -160.977
flat angles P-C4'-P energy: -83.540
tors. eta vs tors. theta energy: -188.465
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: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2104.965808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.965808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.174277 (E_RNA)
where:
Base-Base interactions energy: -1420.723
where: short stacking energy: -606.410
Base-Backbone interact. energy: -1.963
local terms energy: -684.488232
where:
bonds (distance) C4'-P energy: -139.352
bonds (distance) P-C4' energy: -154.078
flat angles C4'-P-C4' energy: -137.269
flat angles P-C4'-P energy: -97.553
tors. eta vs tors. theta energy: -156.235
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: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2109.090203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.090203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.162228 (E_RNA)
where:
Base-Base interactions energy: -1416.944
where: short stacking energy: -635.690
Base-Backbone interact. energy: -3.793
local terms energy: -690.425196
where:
bonds (distance) C4'-P energy: -133.412
bonds (distance) P-C4' energy: -131.493
flat angles C4'-P-C4' energy: -156.987
flat angles P-C4'-P energy: -95.481
tors. eta vs tors. theta energy: -173.052
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: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1950.108316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.108316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.372994 (E_RNA)
where:
Base-Base interactions energy: -1334.481
where: short stacking energy: -568.331
Base-Backbone interact. energy: -0.603
local terms energy: -617.288915
where:
bonds (distance) C4'-P energy: -117.330
bonds (distance) P-C4' energy: -127.216
flat angles C4'-P-C4' energy: -133.688
flat angles P-C4'-P energy: -90.783
tors. eta vs tors. theta energy: -148.272
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: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1870.833487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.833487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.539071 (E_RNA)
where:
Base-Base interactions energy: -1274.143
where: short stacking energy: -531.166
Base-Backbone interact. energy: 0.911
local terms energy: -601.306281
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -133.422
flat angles C4'-P-C4' energy: -135.130
flat angles P-C4'-P energy: -75.941
tors. eta vs tors. theta energy: -139.349
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2920.897256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.897256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.684383 (E_RNA)
where:
Base-Base interactions energy: -2032.018
where: short stacking energy: -833.138
Base-Backbone interact. energy: -4.368
local terms energy: -885.298478
where:
bonds (distance) C4'-P energy: -170.360
bonds (distance) P-C4' energy: -148.153
flat angles C4'-P-C4' energy: -187.124
flat angles P-C4'-P energy: -129.046
tors. eta vs tors. theta energy: -250.617
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2816.874584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.874584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.086150 (E_RNA)
where:
Base-Base interactions energy: -1945.311
where: short stacking energy: -793.675
Base-Backbone interact. energy: -2.114
local terms energy: -870.661841
where:
bonds (distance) C4'-P energy: -161.148
bonds (distance) P-C4' energy: -153.647
flat angles C4'-P-C4' energy: -183.367
flat angles P-C4'-P energy: -128.291
tors. eta vs tors. theta energy: -244.208
Dist. restrs. and SS energy: 1.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2708.608009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.608009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.719454 (E_RNA)
where:
Base-Base interactions energy: -1895.598
where: short stacking energy: -811.708
Base-Backbone interact. energy: -1.425
local terms energy: -812.696427
where:
bonds (distance) C4'-P energy: -142.304
bonds (distance) P-C4' energy: -150.233
flat angles C4'-P-C4' energy: -177.054
flat angles P-C4'-P energy: -109.690
tors. eta vs tors. theta energy: -233.414
Dist. restrs. and SS energy: 1.111 (S_DIST_RNA)
chem. 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: -2540.709971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.709971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.742209 (E_RNA)
where:
Base-Base interactions energy: -1761.585
where: short stacking energy: -729.201
Base-Backbone interact. energy: -2.190
local terms energy: -778.966523
where:
bonds (distance) C4'-P energy: -154.515
bonds (distance) P-C4' energy: -143.304
flat angles C4'-P-C4' energy: -173.939
flat angles P-C4'-P energy: -102.099
tors. eta vs tors. theta energy: -205.110
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: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2338.595492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.595492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.065037 (E_RNA)
where:
Base-Base interactions energy: -1577.861
where: short stacking energy: -658.916
Base-Backbone interact. energy: -0.506
local terms energy: -761.697653
where:
bonds (distance) C4'-P energy: -156.942
bonds (distance) P-C4' energy: -147.578
flat angles C4'-P-C4' energy: -172.154
flat angles P-C4'-P energy: -96.418
tors. eta vs tors. theta energy: -188.605
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: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2256.652305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.652305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.703391 (E_RNA)
where:
Base-Base interactions energy: -1546.569
where: short stacking energy: -653.825
Base-Backbone interact. energy: 4.313
local terms energy: -716.446703
where:
bonds (distance) C4'-P energy: -136.922
bonds (distance) P-C4' energy: -129.224
flat angles C4'-P-C4' energy: -143.555
flat angles P-C4'-P energy: -111.679
tors. eta vs tors. theta energy: -195.066
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: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -2051.429053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.429053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.471972 (E_RNA)
where:
Base-Base interactions energy: -1370.481
where: short stacking energy: -591.201
Base-Backbone interact. energy: 1.039
local terms energy: -685.030070
where:
bonds (distance) C4'-P energy: -131.520
bonds (distance) P-C4' energy: -139.115
flat angles C4'-P-C4' energy: -155.513
flat angles P-C4'-P energy: -110.991
tors. eta vs tors. theta energy: -147.892
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: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2006.534019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.534019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.683193 (E_RNA)
where:
Base-Base interactions energy: -1383.858
where: short stacking energy: -584.660
Base-Backbone interact. energy: -3.983
local terms energy: -621.842223
where:
bonds (distance) C4'-P energy: -121.373
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -152.969
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -148.820
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: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1939.663348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.663348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.277475 (E_RNA)
where:
Base-Base interactions energy: -1359.349
where: short stacking energy: -547.574
Base-Backbone interact. energy: -1.308
local terms energy: -581.620247
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -121.714
flat angles C4'-P-C4' energy: -123.862
flat angles P-C4'-P energy: -99.308
tors. eta vs tors. theta energy: -129.289
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: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1817.387450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.387450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.464410 (E_RNA)
where:
Base-Base interactions energy: -1217.926
where: short stacking energy: -497.952
Base-Backbone interact. energy: 1.041
local terms energy: -604.580191
where:
bonds (distance) C4'-P energy: -136.535
bonds (distance) P-C4' energy: -122.546
flat angles C4'-P-C4' energy: -124.447
flat angles P-C4'-P energy: -96.292
tors. eta vs tors. theta energy: -124.760
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: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2959.486448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.486448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.731185 (E_RNA)
where:
Base-Base interactions energy: -2083.127
where: short stacking energy: -858.612
Base-Backbone interact. energy: -5.601
local terms energy: -872.003409
where:
bonds (distance) C4'-P energy: -156.414
bonds (distance) P-C4' energy: -150.685
flat angles C4'-P-C4' energy: -184.662
flat angles P-C4'-P energy: -135.883
tors. eta vs tors. theta energy: -244.360
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2799.490578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.490578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.854216 (E_RNA)
where:
Base-Base interactions energy: -1938.191
where: short stacking energy: -803.300
Base-Backbone interact. energy: -0.194
local terms energy: -862.469337
where:
bonds (distance) C4'-P energy: -158.249
bonds (distance) P-C4' energy: -160.723
flat angles C4'-P-C4' energy: -172.691
flat angles P-C4'-P energy: -129.769
tors. eta vs tors. theta energy: -241.038
Dist. restrs. and SS energy: 1.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2678.195364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.195364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.484903 (E_RNA)
where:
Base-Base interactions energy: -1853.714
where: short stacking energy: -776.983
Base-Backbone interact. energy: -0.662
local terms energy: -825.109820
where:
bonds (distance) C4'-P energy: -158.256
bonds (distance) P-C4' energy: -139.527
flat angles C4'-P-C4' energy: -180.353
flat angles P-C4'-P energy: -122.203
tors. eta vs tors. theta energy: -224.770
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: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2574.404181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.404181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.376885 (E_RNA)
where:
Base-Base interactions energy: -1770.189
where: short stacking energy: -775.212
Base-Backbone interact. energy: -1.393
local terms energy: -804.795248
where:
bonds (distance) C4'-P energy: -138.446
bonds (distance) P-C4' energy: -152.846
flat angles C4'-P-C4' energy: -175.057
flat angles P-C4'-P energy: -113.053
tors. eta vs tors. theta energy: -225.394
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2393.280286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.280286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.037645 (E_RNA)
where:
Base-Base interactions energy: -1624.502
where: short stacking energy: -718.536
Base-Backbone interact. energy: -1.253
local terms energy: -769.281901
where:
bonds (distance) C4'-P energy: -138.074
bonds (distance) P-C4' energy: -160.317
flat angles C4'-P-C4' energy: -163.944
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -199.281
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2239.557329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.557329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.389868 (E_RNA)
where:
Base-Base interactions energy: -1539.128
where: short stacking energy: -645.768
Base-Backbone interact. energy: -2.911
local terms energy: -700.350325
where:
bonds (distance) C4'-P energy: -129.776
bonds (distance) P-C4' energy: -138.841
flat angles C4'-P-C4' energy: -163.812
flat angles P-C4'-P energy: -89.911
tors. eta vs tors. theta energy: -178.011
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: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2131.009040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.009040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.333712 (E_RNA)
where:
Base-Base interactions energy: -1409.087
where: short stacking energy: -592.058
Base-Backbone interact. energy: -5.388
local terms energy: -719.858861
where:
bonds (distance) C4'-P energy: -125.779
bonds (distance) P-C4' energy: -166.487
flat angles C4'-P-C4' energy: -144.167
flat angles P-C4'-P energy: -104.397
tors. eta vs tors. theta energy: -179.030
Dist. restrs. and SS energy: 3.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2008.808700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.808700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.014589 (E_RNA)
where:
Base-Base interactions energy: -1373.214
where: short stacking energy: -583.923
Base-Backbone interact. energy: -2.400
local terms energy: -636.399885
where:
bonds (distance) C4'-P energy: -122.818
bonds (distance) P-C4' energy: -136.992
flat angles C4'-P-C4' energy: -127.163
flat angles P-C4'-P energy: -92.710
tors. eta vs tors. theta energy: -156.717
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: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1892.809302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.809302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.273257 (E_RNA)
where:
Base-Base interactions energy: -1300.464
where: short stacking energy: -536.210
Base-Backbone interact. energy: 6.632
local terms energy: -601.440735
where:
bonds (distance) C4'-P energy: -116.301
bonds (distance) P-C4' energy: -137.574
flat angles C4'-P-C4' energy: -141.398
flat angles P-C4'-P energy: -75.467
tors. eta vs tors. theta energy: -130.701
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: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1840.213623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.213623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.851415 (E_RNA)
where:
Base-Base interactions energy: -1276.240
where: short stacking energy: -534.095
Base-Backbone interact. energy: 5.697
local terms energy: -573.309112
where:
bonds (distance) C4'-P energy: -123.687
bonds (distance) P-C4' energy: -115.802
flat angles C4'-P-C4' energy: -125.474
flat angles P-C4'-P energy: -80.317
tors. eta vs tors. theta energy: -128.029
Dist. restrs. and SS energy: 3.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2932.736531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.736531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.835122 (E_RNA)
where:
Base-Base interactions energy: -2067.573
where: short stacking energy: -827.068
Base-Backbone interact. energy: -3.822
local terms energy: -862.440436
where:
bonds (distance) C4'-P energy: -170.249
bonds (distance) P-C4' energy: -149.703
flat angles C4'-P-C4' energy: -179.061
flat angles P-C4'-P energy: -119.110
tors. eta vs tors. theta energy: -244.318
Dist. restrs. and SS energy: 1.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2817.811453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.811453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.570001 (E_RNA)
where:
Base-Base interactions energy: -1964.667
where: short stacking energy: -837.592
Base-Backbone interact. energy: -4.067
local terms energy: -850.835394
where:
bonds (distance) C4'-P energy: -140.402
bonds (distance) P-C4' energy: -155.018
flat angles C4'-P-C4' energy: -190.409
flat angles P-C4'-P energy: -119.479
tors. eta vs tors. theta energy: -245.527
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2682.442733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.442733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.392310 (E_RNA)
where:
Base-Base interactions energy: -1828.348
where: short stacking energy: -788.736
Base-Backbone interact. energy: -0.214
local terms energy: -856.830269
where:
bonds (distance) C4'-P energy: -152.344
bonds (distance) P-C4' energy: -150.288
flat angles C4'-P-C4' energy: -183.986
flat angles P-C4'-P energy: -139.129
tors. eta vs tors. theta energy: -231.084
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: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2558.583461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.583461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.334905 (E_RNA)
where:
Base-Base interactions energy: -1747.849
where: short stacking energy: -732.723
Base-Backbone interact. energy: -2.386
local terms energy: -811.100034
where:
bonds (distance) C4'-P energy: -150.774
bonds (distance) P-C4' energy: -151.993
flat angles C4'-P-C4' energy: -180.547
flat angles P-C4'-P energy: -119.699
tors. eta vs tors. theta energy: -208.087
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: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2354.195133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.195133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.734835 (E_RNA)
where:
Base-Base interactions energy: -1598.860
where: short stacking energy: -706.048
Base-Backbone interact. energy: -1.654
local terms energy: -755.220558
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -141.527
flat angles C4'-P-C4' energy: -168.744
flat angles P-C4'-P energy: -99.088
tors. eta vs tors. theta energy: -207.833
Dist. restrs. and SS energy: 1.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2272.652796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.652796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.018667 (E_RNA)
where:
Base-Base interactions energy: -1542.264
where: short stacking energy: -653.662
Base-Backbone interact. energy: -3.007
local terms energy: -728.747588
where:
bonds (distance) C4'-P energy: -153.696
bonds (distance) P-C4' energy: -138.487
flat angles C4'-P-C4' energy: -149.166
flat angles P-C4'-P energy: -109.177
tors. eta vs tors. theta energy: -178.221
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: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2115.273026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.273026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.164218 (E_RNA)
where:
Base-Base interactions energy: -1430.854
where: short stacking energy: -621.756
Base-Backbone interact. energy: 0.069
local terms energy: -686.379620
where:
bonds (distance) C4'-P energy: -145.637
bonds (distance) P-C4' energy: -159.756
flat angles C4'-P-C4' energy: -137.267
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -169.691
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: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2016.767920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.767920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.069958 (E_RNA)
where:
Base-Base interactions energy: -1372.857
where: short stacking energy: -585.381
Base-Backbone interact. energy: -2.084
local terms energy: -645.128287
where:
bonds (distance) C4'-P energy: -116.196
bonds (distance) P-C4' energy: -131.983
flat angles C4'-P-C4' energy: -153.600
flat angles P-C4'-P energy: -92.892
tors. eta vs tors. theta energy: -150.458
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1963.877807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.877807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.319531 (E_RNA)
where:
Base-Base interactions energy: -1357.713
where: short stacking energy: -555.992
Base-Backbone interact. energy: 0.664
local terms energy: -609.270388
where:
bonds (distance) C4'-P energy: -127.698
bonds (distance) P-C4' energy: -118.614
flat angles C4'-P-C4' energy: -138.463
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -139.191
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: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1878.051617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.051617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.570625 (E_RNA)
where:
Base-Base interactions energy: -1282.910
where: short stacking energy: -533.064
Base-Backbone interact. energy: 1.306
local terms energy: -598.966394
where:
bonds (distance) C4'-P energy: -127.590
bonds (distance) P-C4' energy: -140.827
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -81.082
tors. eta vs tors. theta energy: -127.675
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: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2981.663297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.663297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2982.892705 (E_RNA)
where:
Base-Base interactions energy: -2087.338
where: short stacking energy: -828.992
Base-Backbone interact. energy: -2.231
local terms energy: -893.323428
where:
bonds (distance) C4'-P energy: -154.449
bonds (distance) P-C4' energy: -159.334
flat angles C4'-P-C4' energy: -198.946
flat angles P-C4'-P energy: -130.649
tors. eta vs tors. theta energy: -249.946
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: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2808.584113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.584113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.731399 (E_RNA)
where:
Base-Base interactions energy: -1933.928
where: short stacking energy: -795.425
Base-Backbone interact. energy: -3.145
local terms energy: -872.658860
where:
bonds (distance) C4'-P energy: -170.864
bonds (distance) P-C4' energy: -150.471
flat angles C4'-P-C4' energy: -188.604
flat angles P-C4'-P energy: -125.255
tors. eta vs tors. theta energy: -237.464
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: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2751.210128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.210128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.542213 (E_RNA)
where:
Base-Base interactions energy: -1902.711
where: short stacking energy: -817.466
Base-Backbone interact. energy: -1.388
local terms energy: -849.443481
where:
bonds (distance) C4'-P energy: -140.947
bonds (distance) P-C4' energy: -147.438
flat angles C4'-P-C4' energy: -182.002
flat angles P-C4'-P energy: -133.772
tors. eta vs tors. theta energy: -245.285
Dist. restrs. and SS energy: 2.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2577.134336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.134336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.532191 (E_RNA)
where:
Base-Base interactions energy: -1789.270
where: short stacking energy: -747.099
Base-Backbone interact. energy: 1.238
local terms energy: -793.500595
where:
bonds (distance) C4'-P energy: -144.723
bonds (distance) P-C4' energy: -138.680
flat angles C4'-P-C4' energy: -170.536
flat angles P-C4'-P energy: -127.840
tors. eta vs tors. theta energy: -211.721
Dist. restrs. and SS energy: 4.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2355.713854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.713854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.075234 (E_RNA)
where:
Base-Base interactions energy: -1619.093
where: short stacking energy: -679.225
Base-Backbone interact. energy: -1.985
local terms energy: -735.998148
where:
bonds (distance) C4'-P energy: -123.464
bonds (distance) P-C4' energy: -129.141
flat angles C4'-P-C4' energy: -180.368
flat angles P-C4'-P energy: -115.326
tors. eta vs tors. theta energy: -187.700
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: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2279.768575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.768575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.064895 (E_RNA)
where:
Base-Base interactions energy: -1525.807
where: short stacking energy: -637.129
Base-Backbone interact. energy: -0.646
local terms energy: -754.611630
where:
bonds (distance) C4'-P energy: -149.932
bonds (distance) P-C4' energy: -157.052
flat angles C4'-P-C4' energy: -158.501
flat angles P-C4'-P energy: -94.640
tors. eta vs tors. theta energy: -194.487
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: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2099.647773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.647773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.229926 (E_RNA)
where:
Base-Base interactions energy: -1401.927
where: short stacking energy: -592.415
Base-Backbone interact. energy: -3.420
local terms energy: -695.882694
where:
bonds (distance) C4'-P energy: -140.630
bonds (distance) P-C4' energy: -135.727
flat angles C4'-P-C4' energy: -157.698
flat angles P-C4'-P energy: -104.024
tors. eta vs tors. theta energy: -157.803
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: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2008.840848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.840848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.737797 (E_RNA)
where:
Base-Base interactions energy: -1361.439
where: short stacking energy: -561.696
Base-Backbone interact. energy: -1.400
local terms energy: -648.898636
where:
bonds (distance) C4'-P energy: -130.633
bonds (distance) P-C4' energy: -133.066
flat angles C4'-P-C4' energy: -129.866
flat angles P-C4'-P energy: -84.640
tors. eta vs tors. theta energy: -170.693
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1910.779501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.779501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.419132 (E_RNA)
where:
Base-Base interactions energy: -1311.163
where: short stacking energy: -542.411
Base-Backbone interact. energy: -2.134
local terms energy: -600.122784
where:
bonds (distance) C4'-P energy: -105.622
bonds (distance) P-C4' energy: -106.617
flat angles C4'-P-C4' energy: -151.544
flat angles P-C4'-P energy: -97.697
tors. eta vs tors. theta energy: -138.643
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: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1873.749208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.749208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.703090 (E_RNA)
where:
Base-Base interactions energy: -1289.408
where: short stacking energy: -528.180
Base-Backbone interact. energy: -1.346
local terms energy: -585.949596
where:
bonds (distance) C4'-P energy: -94.005
bonds (distance) P-C4' energy: -117.120
flat angles C4'-P-C4' energy: -147.071
flat angles P-C4'-P energy: -90.950
tors. eta vs tors. theta energy: -136.804
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: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2933.718014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.718014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.285658 (E_RNA)
where:
Base-Base interactions energy: -2035.470
where: short stacking energy: -844.516
Base-Backbone interact. energy: -4.400
local terms energy: -895.414896
where:
bonds (distance) C4'-P energy: -167.374
bonds (distance) P-C4' energy: -156.928
flat angles C4'-P-C4' energy: -187.214
flat angles P-C4'-P energy: -134.696
tors. eta vs tors. theta energy: -249.203
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: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2785.728128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.728128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.677626 (E_RNA)
where:
Base-Base interactions energy: -1913.595
where: short stacking energy: -838.684
Base-Backbone interact. energy: -1.456
local terms energy: -873.626536
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -166.346
flat angles C4'-P-C4' energy: -192.652
flat angles P-C4'-P energy: -126.695
tors. eta vs tors. theta energy: -243.100
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2762.369976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.369976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.807556 (E_RNA)
where:
Base-Base interactions energy: -1942.711
where: short stacking energy: -808.540
Base-Backbone interact. energy: 0.354
local terms energy: -821.449920
where:
bonds (distance) C4'-P energy: -140.205
bonds (distance) P-C4' energy: -144.497
flat angles C4'-P-C4' energy: -181.991
flat angles P-C4'-P energy: -120.095
tors. eta vs tors. theta energy: -234.662
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: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2585.748465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.748465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.877198 (E_RNA)
where:
Base-Base interactions energy: -1765.452
where: short stacking energy: -747.479
Base-Backbone interact. energy: -2.497
local terms energy: -819.928275
where:
bonds (distance) C4'-P energy: -165.529
bonds (distance) P-C4' energy: -146.288
flat angles C4'-P-C4' energy: -162.143
flat angles P-C4'-P energy: -131.375
tors. eta vs tors. theta energy: -214.593
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2401.705343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.705343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.546270 (E_RNA)
where:
Base-Base interactions energy: -1620.418
where: short stacking energy: -683.176
Base-Backbone interact. energy: -1.635
local terms energy: -783.493173
where:
bonds (distance) C4'-P energy: -154.021
bonds (distance) P-C4' energy: -145.371
flat angles C4'-P-C4' energy: -177.414
flat angles P-C4'-P energy: -103.610
tors. eta vs tors. theta energy: -203.077
Dist. restrs. and SS energy: 3.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2246.021646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.021646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.098280 (E_RNA)
where:
Base-Base interactions energy: -1538.026
where: short stacking energy: -655.424
Base-Backbone interact. energy: -3.886
local terms energy: -706.186621
where:
bonds (distance) C4'-P energy: -135.454
bonds (distance) P-C4' energy: -141.487
flat angles C4'-P-C4' energy: -146.214
flat angles P-C4'-P energy: -94.866
tors. eta vs tors. theta energy: -188.166
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: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2169.501621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.501621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.490435 (E_RNA)
where:
Base-Base interactions energy: -1490.310
where: short stacking energy: -651.543
Base-Backbone interact. energy: 1.839
local terms energy: -684.019278
where:
bonds (distance) C4'-P energy: -136.460
bonds (distance) P-C4' energy: -130.308
flat angles C4'-P-C4' energy: -162.441
flat angles P-C4'-P energy: -82.343
tors. eta vs tors. theta energy: -172.468
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: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -2021.825801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.825801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.327694 (E_RNA)
where:
Base-Base interactions energy: -1375.845
where: short stacking energy: -603.246
Base-Backbone interact. energy: -2.922
local terms energy: -646.560337
where:
bonds (distance) C4'-P energy: -127.708
bonds (distance) P-C4' energy: -141.582
flat angles C4'-P-C4' energy: -137.736
flat angles P-C4'-P energy: -90.244
tors. eta vs tors. theta energy: -149.291
Dist. restrs. and SS energy: 3.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1959.007754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.007754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.349568 (E_RNA)
where:
Base-Base interactions energy: -1317.003
where: short stacking energy: -544.962
Base-Backbone interact. energy: -0.068
local terms energy: -645.279242
where:
bonds (distance) C4'-P energy: -130.824
bonds (distance) P-C4' energy: -140.966
flat angles C4'-P-C4' energy: -149.214
flat angles P-C4'-P energy: -84.905
tors. eta vs tors. theta energy: -139.370
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1860.087258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.087258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.934775 (E_RNA)
where:
Base-Base interactions energy: -1265.667
where: short stacking energy: -505.950
Base-Backbone interact. energy: 4.061
local terms energy: -602.328222
where:
bonds (distance) C4'-P energy: -127.871
bonds (distance) P-C4' energy: -128.122
flat angles C4'-P-C4' energy: -136.315
flat angles P-C4'-P energy: -80.884
tors. eta vs tors. theta energy: -129.135
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: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2929.874263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.874263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.413312 (E_RNA)
where:
Base-Base interactions energy: -2076.525
where: short stacking energy: -843.611
Base-Backbone interact. energy: -5.274
local terms energy: -850.614547
where:
bonds (distance) C4'-P energy: -139.390
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -187.817
flat angles P-C4'-P energy: -127.850
tors. eta vs tors. theta energy: -241.644
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: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2794.111637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.111637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.267681 (E_RNA)
where:
Base-Base interactions energy: -1894.518
where: short stacking energy: -808.134
Base-Backbone interact. energy: -1.828
local terms energy: -899.922397
where:
bonds (distance) C4'-P energy: -163.376
bonds (distance) P-C4' energy: -172.261
flat angles C4'-P-C4' energy: -190.056
flat angles P-C4'-P energy: -130.668
tors. eta vs tors. theta energy: -243.560
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2800.766638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.766638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.176355 (E_RNA)
where:
Base-Base interactions energy: -1926.951
where: short stacking energy: -810.374
Base-Backbone interact. energy: 0.625
local terms energy: -875.850620
where:
bonds (distance) C4'-P energy: -158.764
bonds (distance) P-C4' energy: -159.947
flat angles C4'-P-C4' energy: -186.689
flat angles P-C4'-P energy: -140.507
tors. eta vs tors. theta energy: -229.943
Dist. restrs. and SS energy: 1.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2546.914382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.914382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.511171 (E_RNA)
where:
Base-Base interactions energy: -1741.033
where: short stacking energy: -725.626
Base-Backbone interact. energy: 2.874
local terms energy: -810.352257
where:
bonds (distance) C4'-P energy: -153.117
bonds (distance) P-C4' energy: -140.890
flat angles C4'-P-C4' energy: -183.460
flat angles P-C4'-P energy: -110.439
tors. eta vs tors. theta energy: -222.446
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2448.501523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.501523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.757441 (E_RNA)
where:
Base-Base interactions energy: -1674.799
where: short stacking energy: -721.970
Base-Backbone interact. energy: -0.812
local terms energy: -776.146688
where:
bonds (distance) C4'-P energy: -138.759
bonds (distance) P-C4' energy: -167.446
flat angles C4'-P-C4' energy: -159.598
flat angles P-C4'-P energy: -107.236
tors. eta vs tors. theta energy: -203.109
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2218.743961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.743961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.840095 (E_RNA)
where:
Base-Base interactions energy: -1490.599
where: short stacking energy: -641.423
Base-Backbone interact. energy: -0.119
local terms energy: -730.121905
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -148.950
flat angles C4'-P-C4' energy: -167.927
flat angles P-C4'-P energy: -106.737
tors. eta vs tors. theta energy: -172.386
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: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2105.560964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.560964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.487926 (E_RNA)
where:
Base-Base interactions energy: -1432.363
where: short stacking energy: -589.932
Base-Backbone interact. energy: -1.199
local terms energy: -673.925432
where:
bonds (distance) C4'-P energy: -136.451
bonds (distance) P-C4' energy: -135.686
flat angles C4'-P-C4' energy: -157.904
flat angles P-C4'-P energy: -92.434
tors. eta vs tors. theta energy: -151.451
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1996.443277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.443277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.556925 (E_RNA)
where:
Base-Base interactions energy: -1356.055
where: short stacking energy: -589.159
Base-Backbone interact. energy: -0.671
local terms energy: -642.831777
where:
bonds (distance) C4'-P energy: -139.123
bonds (distance) P-C4' energy: -137.265
flat angles C4'-P-C4' energy: -146.193
flat angles P-C4'-P energy: -79.335
tors. eta vs tors. theta energy: -140.916
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: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1940.279344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.279344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.030972 (E_RNA)
where:
Base-Base interactions energy: -1318.806
where: short stacking energy: -552.014
Base-Backbone interact. energy: -1.552
local terms energy: -622.672622
where:
bonds (distance) C4'-P energy: -130.774
bonds (distance) P-C4' energy: -134.078
flat angles C4'-P-C4' energy: -138.395
flat angles P-C4'-P energy: -89.495
tors. eta vs tors. theta energy: -129.930
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: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1840.015772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.015772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.367873 (E_RNA)
where:
Base-Base interactions energy: -1268.016
where: short stacking energy: -509.762
Base-Backbone interact. energy: -2.990
local terms energy: -572.361358
where:
bonds (distance) C4'-P energy: -122.054
bonds (distance) P-C4' energy: -142.846
flat angles C4'-P-C4' energy: -111.462
flat angles P-C4'-P energy: -78.071
tors. eta vs tors. theta energy: -117.929
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: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2928.919004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.919004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.170108 (E_RNA)
where:
Base-Base interactions energy: -2017.765
where: short stacking energy: -834.757
Base-Backbone interact. energy: -1.444
local terms energy: -910.961072
where:
bonds (distance) C4'-P energy: -164.718
bonds (distance) P-C4' energy: -167.812
flat angles C4'-P-C4' energy: -203.933
flat angles P-C4'-P energy: -131.723
tors. eta vs tors. theta energy: -242.775
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: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2793.081583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.081583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.092080 (E_RNA)
where:
Base-Base interactions energy: -1928.475
where: short stacking energy: -819.964
Base-Backbone interact. energy: -3.271
local terms energy: -864.345997
where:
bonds (distance) C4'-P energy: -156.407
bonds (distance) P-C4' energy: -159.547
flat angles C4'-P-C4' energy: -184.841
flat angles P-C4'-P energy: -115.653
tors. eta vs tors. theta energy: -247.898
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2791.478606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.478606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.348154 (E_RNA)
where:
Base-Base interactions energy: -1939.647
where: short stacking energy: -792.331
Base-Backbone interact. energy: -2.418
local terms energy: -851.283267
where:
bonds (distance) C4'-P energy: -152.374
bonds (distance) P-C4' energy: -145.557
flat angles C4'-P-C4' energy: -179.704
flat angles P-C4'-P energy: -125.536
tors. eta vs tors. theta energy: -248.112
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2583.690187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.690187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.850269 (E_RNA)
where:
Base-Base interactions energy: -1793.457
where: short stacking energy: -776.246
Base-Backbone interact. energy: 3.474
local terms energy: -794.866415
where:
bonds (distance) C4'-P energy: -132.672
bonds (distance) P-C4' energy: -151.849
flat angles C4'-P-C4' energy: -179.891
flat angles P-C4'-P energy: -105.834
tors. eta vs tors. theta energy: -224.621
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: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2472.297371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.297371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.548359 (E_RNA)
where:
Base-Base interactions energy: -1721.980
where: short stacking energy: -699.774
Base-Backbone interact. energy: -1.266
local terms energy: -750.302329
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -150.534
flat angles C4'-P-C4' energy: -178.313
flat angles P-C4'-P energy: -98.729
tors. eta vs tors. theta energy: -203.850
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2310.594225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.594225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.825912 (E_RNA)
where:
Base-Base interactions energy: -1568.506
where: short stacking energy: -687.546
Base-Backbone interact. energy: 0.225
local terms energy: -744.545488
where:
bonds (distance) C4'-P energy: -148.483
bonds (distance) P-C4' energy: -136.067
flat angles C4'-P-C4' energy: -160.906
flat angles P-C4'-P energy: -98.206
tors. eta vs tors. theta energy: -200.884
Dist. restrs. and SS energy: 2.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2122.746841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.746841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.483304 (E_RNA)
where:
Base-Base interactions energy: -1428.271
where: short stacking energy: -631.454
Base-Backbone interact. energy: -3.877
local terms energy: -694.335380
where:
bonds (distance) C4'-P energy: -131.222
bonds (distance) P-C4' energy: -142.209
flat angles C4'-P-C4' energy: -147.969
flat angles P-C4'-P energy: -106.161
tors. eta vs tors. theta energy: -166.774
Dist. restrs. and SS energy: 3.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2053.193688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.193688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.663699 (E_RNA)
where:
Base-Base interactions energy: -1425.722
where: short stacking energy: -628.247
Base-Backbone interact. energy: 1.368
local terms energy: -631.309806
where:
bonds (distance) C4'-P energy: -125.320
bonds (distance) P-C4' energy: -126.591
flat angles C4'-P-C4' energy: -138.643
flat angles P-C4'-P energy: -83.357
tors. eta vs tors. theta energy: -157.399
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1984.518771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.518771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.403723 (E_RNA)
where:
Base-Base interactions energy: -1360.955
where: short stacking energy: -602.905
Base-Backbone interact. energy: 5.405
local terms energy: -631.853322
where:
bonds (distance) C4'-P energy: -122.466
bonds (distance) P-C4' energy: -126.229
flat angles C4'-P-C4' energy: -150.321
flat angles P-C4'-P energy: -62.986
tors. eta vs tors. theta energy: -169.851
Dist. restrs. and SS energy: 2.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1820.723407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.723407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.426472 (E_RNA)
where:
Base-Base interactions energy: -1233.874
where: short stacking energy: -489.475
Base-Backbone interact. energy: 0.390
local terms energy: -591.941821
where:
bonds (distance) C4'-P energy: -132.043
bonds (distance) P-C4' energy: -122.834
flat angles C4'-P-C4' energy: -146.318
flat angles P-C4'-P energy: -79.764
tors. eta vs tors. theta energy: -110.983
Dist. restrs. and SS energy: 4.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2895.666004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.666004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.170514 (E_RNA)
where:
Base-Base interactions energy: -2015.266
where: short stacking energy: -834.373
Base-Backbone interact. energy: -1.052
local terms energy: -880.852326
where:
bonds (distance) C4'-P energy: -153.735
bonds (distance) P-C4' energy: -176.754
flat angles C4'-P-C4' energy: -183.174
flat angles P-C4'-P energy: -127.436
tors. eta vs tors. theta energy: -239.753
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: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2821.959592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.959592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.997783 (E_RNA)
where:
Base-Base interactions energy: -1951.034
where: short stacking energy: -826.451
Base-Backbone interact. energy: -2.775
local terms energy: -871.188418
where:
bonds (distance) C4'-P energy: -153.279
bonds (distance) P-C4' energy: -154.348
flat angles C4'-P-C4' energy: -190.726
flat angles P-C4'-P energy: -129.812
tors. eta vs tors. theta energy: -243.023
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: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2765.424942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.424942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.858641 (E_RNA)
where:
Base-Base interactions energy: -1902.223
where: short stacking energy: -798.349
Base-Backbone interact. energy: -5.488
local terms energy: -860.147456
where:
bonds (distance) C4'-P energy: -145.487
bonds (distance) P-C4' energy: -161.035
flat angles C4'-P-C4' energy: -185.635
flat angles P-C4'-P energy: -123.244
tors. eta vs tors. theta energy: -244.746
Dist. restrs. and SS energy: 2.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2547.985510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.985510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.988275 (E_RNA)
where:
Base-Base interactions energy: -1736.321
where: short stacking energy: -756.966
Base-Backbone interact. energy: 0.738
local terms energy: -815.405174
where:
bonds (distance) C4'-P energy: -143.160
bonds (distance) P-C4' energy: -159.820
flat angles C4'-P-C4' energy: -167.981
flat angles P-C4'-P energy: -124.268
tors. eta vs tors. theta energy: -220.177
Dist. restrs. and SS energy: 3.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2453.312156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.312156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.313091 (E_RNA)
where:
Base-Base interactions energy: -1698.873
where: short stacking energy: -750.516
Base-Backbone interact. energy: -4.669
local terms energy: -751.771277
where:
bonds (distance) C4'-P energy: -116.294
bonds (distance) P-C4' energy: -149.233
flat angles C4'-P-C4' energy: -172.320
flat angles P-C4'-P energy: -103.904
tors. eta vs tors. theta energy: -210.019
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: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2312.572063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.572063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.126014 (E_RNA)
where:
Base-Base interactions energy: -1568.763
where: short stacking energy: -662.716
Base-Backbone interact. energy: 1.856
local terms energy: -747.219540
where:
bonds (distance) C4'-P energy: -144.743
bonds (distance) P-C4' energy: -144.039
flat angles C4'-P-C4' energy: -159.351
flat angles P-C4'-P energy: -105.351
tors. eta vs tors. theta energy: -193.736
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2084.482634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.482634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.877141 (E_RNA)
where:
Base-Base interactions energy: -1442.255
where: short stacking energy: -622.253
Base-Backbone interact. energy: -0.267
local terms energy: -644.354987
where:
bonds (distance) C4'-P energy: -136.772
bonds (distance) P-C4' energy: -124.991
flat angles C4'-P-C4' energy: -145.015
flat angles P-C4'-P energy: -94.218
tors. eta vs tors. theta energy: -143.359
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2046.560122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.560122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.907383 (E_RNA)
where:
Base-Base interactions energy: -1390.807
where: short stacking energy: -617.207
Base-Backbone interact. energy: -4.330
local terms energy: -653.769865
where:
bonds (distance) C4'-P energy: -140.369
bonds (distance) P-C4' energy: -120.619
flat angles C4'-P-C4' energy: -148.967
flat angles P-C4'-P energy: -76.453
tors. eta vs tors. theta energy: -167.361
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1955.041892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.041892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.955644 (E_RNA)
where:
Base-Base interactions energy: -1321.537
where: short stacking energy: -560.454
Base-Backbone interact. energy: -2.636
local terms energy: -634.783184
where:
bonds (distance) C4'-P energy: -122.865
bonds (distance) P-C4' energy: -137.915
flat angles C4'-P-C4' energy: -139.875
flat angles P-C4'-P energy: -82.382
tors. eta vs tors. theta energy: -151.746
Dist. restrs. and SS energy: 3.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1885.926712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.926712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.526020 (E_RNA)
where:
Base-Base interactions energy: -1282.598
where: short stacking energy: -538.477
Base-Backbone interact. energy: 0.628
local terms energy: -606.556008
where:
bonds (distance) C4'-P energy: -126.150
bonds (distance) P-C4' energy: -115.627
flat angles C4'-P-C4' energy: -137.064
flat angles P-C4'-P energy: -91.170
tors. eta vs tors. theta energy: -136.544
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: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2924.216646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.216646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.481148 (E_RNA)
where:
Base-Base interactions energy: -2047.086
where: short stacking energy: -830.699
Base-Backbone interact. energy: -0.715
local terms energy: -877.680331
where:
bonds (distance) C4'-P energy: -160.294
bonds (distance) P-C4' energy: -163.697
flat angles C4'-P-C4' energy: -179.317
flat angles P-C4'-P energy: -127.097
tors. eta vs tors. theta energy: -247.275
Dist. restrs. and SS energy: 1.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2791.955262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.955262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.255533 (E_RNA)
where:
Base-Base interactions energy: -1929.382
where: short stacking energy: -823.429
Base-Backbone interact. energy: -2.415
local terms energy: -862.459049
where:
bonds (distance) C4'-P energy: -176.597
bonds (distance) P-C4' energy: -152.809
flat angles C4'-P-C4' energy: -173.720
flat angles P-C4'-P energy: -111.565
tors. eta vs tors. theta energy: -247.769
Dist. restrs. and SS energy: 2.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2771.789584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.789584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.333707 (E_RNA)
where:
Base-Base interactions energy: -1926.769
where: short stacking energy: -770.638
Base-Backbone interact. energy: -5.199
local terms energy: -841.365409
where:
bonds (distance) C4'-P energy: -152.592
bonds (distance) P-C4' energy: -171.981
flat angles C4'-P-C4' energy: -177.403
flat angles P-C4'-P energy: -115.567
tors. eta vs tors. theta energy: -223.821
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: 477
Temperature: 1.050000
Total energy: -2563.188189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.188189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.016132 (E_RNA)
where:
Base-Base interactions energy: -1770.782
where: short stacking energy: -750.654
Base-Backbone interact. energy: 1.144
local terms energy: -795.378840
where:
bonds (distance) C4'-P energy: -148.626
bonds (distance) P-C4' energy: -147.478
flat angles C4'-P-C4' energy: -177.482
flat angles P-C4'-P energy: -103.380
tors. eta vs tors. theta energy: -218.413
Dist. restrs. and SS energy: 1.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2453.732867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.732867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.071392 (E_RNA)
where:
Base-Base interactions energy: -1699.180
where: short stacking energy: -733.388
Base-Backbone interact. energy: -2.465
local terms energy: -753.425610
where:
bonds (distance) C4'-P energy: -141.114
bonds (distance) P-C4' energy: -150.749
flat angles C4'-P-C4' energy: -160.863
flat angles P-C4'-P energy: -96.599
tors. eta vs tors. theta energy: -204.100
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: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2275.061447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.061447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.104799 (E_RNA)
where:
Base-Base interactions energy: -1537.554
where: short stacking energy: -634.225
Base-Backbone interact. energy: -3.414
local terms energy: -736.137385
where:
bonds (distance) C4'-P energy: -144.274
bonds (distance) P-C4' energy: -149.752
flat angles C4'-P-C4' energy: -156.301
flat angles P-C4'-P energy: -112.511
tors. eta vs tors. theta energy: -173.300
Dist. restrs. and SS energy: 2.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2117.024439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.024439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.596532 (E_RNA)
where:
Base-Base interactions energy: -1440.112
where: short stacking energy: -615.121
Base-Backbone interact. energy: 6.980
local terms energy: -685.465290
where:
bonds (distance) C4'-P energy: -135.891
bonds (distance) P-C4' energy: -143.946
flat angles C4'-P-C4' energy: -144.339
flat angles P-C4'-P energy: -90.183
tors. eta vs tors. theta energy: -171.106
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1994.688686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.688686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.777063 (E_RNA)
where:
Base-Base interactions energy: -1361.901
where: short stacking energy: -564.214
Base-Backbone interact. energy: 0.724
local terms energy: -638.599494
where:
bonds (distance) C4'-P energy: -119.060
bonds (distance) P-C4' energy: -140.368
flat angles C4'-P-C4' energy: -146.839
flat angles P-C4'-P energy: -89.891
tors. eta vs tors. theta energy: -142.440
Dist. restrs. and SS energy: 5.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1960.108970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.108970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.224834 (E_RNA)
where:
Base-Base interactions energy: -1330.682
where: short stacking energy: -574.704
Base-Backbone interact. energy: -0.973
local terms energy: -632.569670
where:
bonds (distance) C4'-P energy: -131.508
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -140.096
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -157.885
Dist. restrs. and SS energy: 4.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1842.416148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.416148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.549524 (E_RNA)
where:
Base-Base interactions energy: -1273.883
where: short stacking energy: -528.712
Base-Backbone interact. energy: -2.481
local terms energy: -568.185418
where:
bonds (distance) C4'-P energy: -102.894
bonds (distance) P-C4' energy: -121.147
flat angles C4'-P-C4' energy: -131.423
flat angles P-C4'-P energy: -75.012
tors. eta vs tors. theta energy: -137.710
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: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2949.325703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.325703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.430972 (E_RNA)
where:
Base-Base interactions energy: -2049.410
where: short stacking energy: -838.344
Base-Backbone interact. energy: -3.385
local terms energy: -897.636225
where:
bonds (distance) C4'-P energy: -155.281
bonds (distance) P-C4' energy: -165.231
flat angles C4'-P-C4' energy: -195.982
flat angles P-C4'-P energy: -129.648
tors. eta vs tors. theta energy: -251.494
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2796.411300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.411300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.278007 (E_RNA)
where:
Base-Base interactions energy: -1932.245
where: short stacking energy: -837.272
Base-Backbone interact. energy: -3.011
local terms energy: -863.021922
where:
bonds (distance) C4'-P energy: -142.623
bonds (distance) P-C4' energy: -146.940
flat angles C4'-P-C4' energy: -193.205
flat angles P-C4'-P energy: -126.622
tors. eta vs tors. theta energy: -253.632
Dist. restrs. and SS energy: 1.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2790.802159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.802159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.998004 (E_RNA)
where:
Base-Base interactions energy: -1931.180
where: short stacking energy: -803.758
Base-Backbone interact. energy: 5.959
local terms energy: -867.776871
where:
bonds (distance) C4'-P energy: -158.365
bonds (distance) P-C4' energy: -165.156
flat angles C4'-P-C4' energy: -180.601
flat angles P-C4'-P energy: -116.378
tors. eta vs tors. theta energy: -247.276
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: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2537.225159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.225159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.190152 (E_RNA)
where:
Base-Base interactions energy: -1756.856
where: short stacking energy: -727.741
Base-Backbone interact. energy: 1.385
local terms energy: -783.719239
where:
bonds (distance) C4'-P energy: -148.889
bonds (distance) P-C4' energy: -151.570
flat angles C4'-P-C4' energy: -165.135
flat angles P-C4'-P energy: -112.263
tors. eta vs tors. theta energy: -205.863
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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2424.402944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.402944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.433166 (E_RNA)
where:
Base-Base interactions energy: -1680.136
where: short stacking energy: -709.891
Base-Backbone interact. energy: 1.033
local terms energy: -746.329709
where:
bonds (distance) C4'-P energy: -122.327
bonds (distance) P-C4' energy: -151.861
flat angles C4'-P-C4' energy: -159.127
flat angles P-C4'-P energy: -110.257
tors. eta vs tors. theta energy: -202.758
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: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2262.696200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.696200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.202815 (E_RNA)
where:
Base-Base interactions energy: -1541.399
where: short stacking energy: -653.134
Base-Backbone interact. energy: 5.089
local terms energy: -728.893250
where:
bonds (distance) C4'-P energy: -138.933
bonds (distance) P-C4' energy: -140.765
flat angles C4'-P-C4' energy: -165.820
flat angles P-C4'-P energy: -101.985
tors. eta vs tors. theta energy: -181.390
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: 478
Temperature: 1.200000
Total energy: -2140.921044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.921044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.638475 (E_RNA)
where:
Base-Base interactions energy: -1424.541
where: short stacking energy: -633.530
Base-Backbone interact. energy: 2.114
local terms energy: -721.212082
where:
bonds (distance) C4'-P energy: -138.411
bonds (distance) P-C4' energy: -142.305
flat angles C4'-P-C4' energy: -174.395
flat angles P-C4'-P energy: -94.575
tors. eta vs tors. theta energy: -171.526
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: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -2000.114620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.114620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.702648 (E_RNA)
where:
Base-Base interactions energy: -1357.583
where: short stacking energy: -565.487
Base-Backbone interact. energy: 2.714
local terms energy: -647.834326
where:
bonds (distance) C4'-P energy: -138.062
bonds (distance) P-C4' energy: -142.610
flat angles C4'-P-C4' energy: -143.752
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: -146.917
Dist. restrs. and SS energy: 2.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1937.368132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.368132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.392254 (E_RNA)
where:
Base-Base interactions energy: -1289.947
where: short stacking energy: -533.256
Base-Backbone interact. energy: 1.507
local terms energy: -651.952023
where:
bonds (distance) C4'-P energy: -136.563
bonds (distance) P-C4' energy: -152.222
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -77.924
tors. eta vs tors. theta energy: -138.006
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: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1860.902090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.902090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.534223 (E_RNA)
where:
Base-Base interactions energy: -1283.861
where: short stacking energy: -529.521
Base-Backbone interact. energy: 0.863
local terms energy: -580.536354
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -136.708
flat angles C4'-P-C4' energy: -102.172
flat angles P-C4'-P energy: -78.671
tors. eta vs tors. theta energy: -121.087
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2937.630671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.630671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.761246 (E_RNA)
where:
Base-Base interactions energy: -2053.519
where: short stacking energy: -837.671
Base-Backbone interact. energy: -0.583
local terms energy: -884.659755
where:
bonds (distance) C4'-P energy: -157.702
bonds (distance) P-C4' energy: -173.285
flat angles C4'-P-C4' energy: -185.798
flat angles P-C4'-P energy: -124.388
tors. eta vs tors. theta energy: -243.487
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: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2830.574734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.574734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.278957 (E_RNA)
where:
Base-Base interactions energy: -1972.456
where: short stacking energy: -827.016
Base-Backbone interact. energy: 4.134
local terms energy: -863.957140
where:
bonds (distance) C4'-P energy: -142.887
bonds (distance) P-C4' energy: -154.721
flat angles C4'-P-C4' energy: -181.660
flat angles P-C4'-P energy: -136.040
tors. eta vs tors. theta energy: -248.650
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2806.753400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2806.753400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.686401 (E_RNA)
where:
Base-Base interactions energy: -1970.524
where: short stacking energy: -802.294
Base-Backbone interact. energy: -3.175
local terms energy: -835.987291
where:
bonds (distance) C4'-P energy: -141.131
bonds (distance) P-C4' energy: -153.517
flat angles C4'-P-C4' energy: -169.968
flat angles P-C4'-P energy: -128.201
tors. eta vs tors. theta energy: -243.171
Dist. restrs. and SS energy: 2.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2538.578570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.578570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.910341 (E_RNA)
where:
Base-Base interactions energy: -1757.951
where: short stacking energy: -739.525
Base-Backbone interact. energy: -2.822
local terms energy: -779.137149
where:
bonds (distance) C4'-P energy: -131.948
bonds (distance) P-C4' energy: -149.766
flat angles C4'-P-C4' energy: -171.155
flat angles P-C4'-P energy: -119.936
tors. eta vs tors. theta energy: -206.332
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: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2412.389780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.389780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.884206 (E_RNA)
where:
Base-Base interactions energy: -1681.822
where: short stacking energy: -718.427
Base-Backbone interact. energy: -0.417
local terms energy: -732.645716
where:
bonds (distance) C4'-P energy: -123.108
bonds (distance) P-C4' energy: -148.654
flat angles C4'-P-C4' energy: -159.987
flat angles P-C4'-P energy: -102.370
tors. eta vs tors. theta energy: -198.526
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: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2273.070369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.070369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.781243 (E_RNA)
where:
Base-Base interactions energy: -1552.015
where: short stacking energy: -673.390
Base-Backbone interact. energy: -5.500
local terms energy: -718.265533
where:
bonds (distance) C4'-P energy: -126.686
bonds (distance) P-C4' energy: -135.165
flat angles C4'-P-C4' energy: -161.309
flat angles P-C4'-P energy: -108.868
tors. eta vs tors. theta energy: -186.238
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: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2121.392540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.392540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.144067 (E_RNA)
where:
Base-Base interactions energy: -1449.546
where: short stacking energy: -621.101
Base-Backbone interact. energy: 8.256
local terms energy: -681.854276
where:
bonds (distance) C4'-P energy: -120.774
bonds (distance) P-C4' energy: -144.727
flat angles C4'-P-C4' energy: -147.759
flat angles P-C4'-P energy: -103.681
tors. eta vs tors. theta energy: -164.914
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1990.524431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.524431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.637821 (E_RNA)
where:
Base-Base interactions energy: -1356.684
where: short stacking energy: -571.259
Base-Backbone interact. energy: -3.062
local terms energy: -632.891889
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -125.964
flat angles C4'-P-C4' energy: -149.798
flat angles P-C4'-P energy: -73.218
tors. eta vs tors. theta energy: -145.367
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: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1915.645966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.645966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.685703 (E_RNA)
where:
Base-Base interactions energy: -1300.780
where: short stacking energy: -541.325
Base-Backbone interact. energy: 7.922
local terms energy: -624.827111
where:
bonds (distance) C4'-P energy: -104.454
bonds (distance) P-C4' energy: -154.272
flat angles C4'-P-C4' energy: -146.864
flat angles P-C4'-P energy: -74.358
tors. eta vs tors. theta energy: -144.879
Dist. restrs. and SS energy: 2.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1916.165771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.165771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.172192 (E_RNA)
where:
Base-Base interactions energy: -1314.339
where: short stacking energy: -552.400
Base-Backbone interact. energy: 2.247
local terms energy: -608.079463
where:
bonds (distance) C4'-P energy: -123.041
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -101.349
tors. eta vs tors. theta energy: -136.337
Dist. restrs. and SS energy: 4.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2904.000342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.000342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.445653 (E_RNA)
where:
Base-Base interactions energy: -2054.460
where: short stacking energy: -833.006
Base-Backbone interact. energy: 0.711
local terms energy: -851.697138
where:
bonds (distance) C4'-P energy: -168.033
bonds (distance) P-C4' energy: -174.632
flat angles C4'-P-C4' energy: -176.076
flat angles P-C4'-P energy: -95.224
tors. eta vs tors. theta energy: -237.732
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: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2810.538429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.538429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.909951 (E_RNA)
where:
Base-Base interactions energy: -1920.537
where: short stacking energy: -806.973
Base-Backbone interact. energy: -2.462
local terms energy: -889.911063
where:
bonds (distance) C4'-P energy: -162.120
bonds (distance) P-C4' energy: -162.252
flat angles C4'-P-C4' energy: -187.138
flat angles P-C4'-P energy: -125.230
tors. eta vs tors. theta energy: -253.171
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2799.130630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.130630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.241570 (E_RNA)
where:
Base-Base interactions energy: -1955.769
where: short stacking energy: -801.860
Base-Backbone interact. energy: 1.235
local terms energy: -847.707215
where:
bonds (distance) C4'-P energy: -148.001
bonds (distance) P-C4' energy: -165.103
flat angles C4'-P-C4' energy: -174.140
flat angles P-C4'-P energy: -120.700
tors. eta vs tors. theta energy: -239.763
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: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2542.549023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.549023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.012394 (E_RNA)
where:
Base-Base interactions energy: -1747.054
where: short stacking energy: -744.551
Base-Backbone interact. energy: -4.706
local terms energy: -793.251848
where:
bonds (distance) C4'-P energy: -145.228
bonds (distance) P-C4' energy: -139.507
flat angles C4'-P-C4' energy: -172.594
flat angles P-C4'-P energy: -129.375
tors. eta vs tors. theta energy: -206.548
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: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2411.857773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.857773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.722569 (E_RNA)
where:
Base-Base interactions energy: -1634.992
where: short stacking energy: -677.427
Base-Backbone interact. energy: -1.683
local terms energy: -778.047907
where:
bonds (distance) C4'-P energy: -140.099
bonds (distance) P-C4' energy: -150.180
flat angles C4'-P-C4' energy: -167.667
flat angles P-C4'-P energy: -111.895
tors. eta vs tors. theta energy: -208.207
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: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2303.737924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.737924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.894254 (E_RNA)
where:
Base-Base interactions energy: -1599.338
where: short stacking energy: -687.717
Base-Backbone interact. energy: 1.522
local terms energy: -707.078388
where:
bonds (distance) C4'-P energy: -131.026
bonds (distance) P-C4' energy: -127.387
flat angles C4'-P-C4' energy: -144.217
flat angles P-C4'-P energy: -100.827
tors. eta vs tors. theta energy: -203.623
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2097.318125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.318125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.570834 (E_RNA)
where:
Base-Base interactions energy: -1432.617
where: short stacking energy: -607.901
Base-Backbone interact. energy: 4.268
local terms energy: -671.222574
where:
bonds (distance) C4'-P energy: -138.333
bonds (distance) P-C4' energy: -131.617
flat angles C4'-P-C4' energy: -139.943
flat angles P-C4'-P energy: -115.888
tors. eta vs tors. theta energy: -145.441
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: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2013.935881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.935881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.612247 (E_RNA)
where:
Base-Base interactions energy: -1347.042
where: short stacking energy: -574.990
Base-Backbone interact. energy: -0.956
local terms energy: -668.613765
where:
bonds (distance) C4'-P energy: -126.765
bonds (distance) P-C4' energy: -139.363
flat angles C4'-P-C4' energy: -152.001
flat angles P-C4'-P energy: -90.905
tors. eta vs tors. theta energy: -159.579
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: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1946.003217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.003217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.796224 (E_RNA)
where:
Base-Base interactions energy: -1345.026
where: short stacking energy: -561.782
Base-Backbone interact. energy: 5.456
local terms energy: -608.225359
where:
bonds (distance) C4'-P energy: -115.306
bonds (distance) P-C4' energy: -127.574
flat angles C4'-P-C4' energy: -144.135
flat angles P-C4'-P energy: -82.483
tors. eta vs tors. theta energy: -138.727
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: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1882.114193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.114193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.397761 (E_RNA)
where:
Base-Base interactions energy: -1288.110
where: short stacking energy: -519.639
Base-Backbone interact. energy: -1.211
local terms energy: -595.076526
where:
bonds (distance) C4'-P energy: -127.633
bonds (distance) P-C4' energy: -133.560
flat angles C4'-P-C4' energy: -127.103
flat angles P-C4'-P energy: -86.359
tors. eta vs tors. theta energy: -120.422
Dist. restrs. and SS energy: 2.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2920.352295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.352295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.570556 (E_RNA)
where:
Base-Base interactions energy: -2057.593
where: short stacking energy: -842.390
Base-Backbone interact. energy: -3.229
local terms energy: -860.749134
where:
bonds (distance) C4'-P energy: -144.083
bonds (distance) P-C4' energy: -164.374
flat angles C4'-P-C4' energy: -178.633
flat angles P-C4'-P energy: -131.292
tors. eta vs tors. theta energy: -242.367
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2809.242155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.242155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.682282 (E_RNA)
where:
Base-Base interactions energy: -1938.799
where: short stacking energy: -811.773
Base-Backbone interact. energy: -1.796
local terms energy: -871.086859
where:
bonds (distance) C4'-P energy: -172.278
bonds (distance) P-C4' energy: -160.636
flat angles C4'-P-C4' energy: -185.923
flat angles P-C4'-P energy: -110.345
tors. eta vs tors. theta energy: -241.905
Dist. restrs. and SS energy: 2.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2759.944287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.944287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.045493 (E_RNA)
where:
Base-Base interactions energy: -1921.733
where: short stacking energy: -786.799
Base-Backbone interact. energy: -1.372
local terms energy: -837.939781
where:
bonds (distance) C4'-P energy: -161.721
bonds (distance) P-C4' energy: -151.418
flat angles C4'-P-C4' energy: -170.675
flat angles P-C4'-P energy: -108.357
tors. eta vs tors. theta energy: -245.769
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2547.750143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.750143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.824868 (E_RNA)
where:
Base-Base interactions energy: -1763.441
where: short stacking energy: -746.547
Base-Backbone interact. energy: 1.774
local terms energy: -787.157804
where:
bonds (distance) C4'-P energy: -145.035
bonds (distance) P-C4' energy: -135.656
flat angles C4'-P-C4' energy: -172.200
flat angles P-C4'-P energy: -114.215
tors. eta vs tors. theta energy: -220.053
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: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2413.730786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.730786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.886326 (E_RNA)
where:
Base-Base interactions energy: -1637.904
where: short stacking energy: -705.459
Base-Backbone interact. energy: -1.385
local terms energy: -776.597232
where:
bonds (distance) C4'-P energy: -133.599
bonds (distance) P-C4' energy: -143.119
flat angles C4'-P-C4' energy: -176.295
flat angles P-C4'-P energy: -126.112
tors. eta vs tors. theta energy: -197.471
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: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2261.997745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.997745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.193068 (E_RNA)
where:
Base-Base interactions energy: -1532.251
where: short stacking energy: -660.223
Base-Backbone interact. energy: -3.970
local terms energy: -727.972241
where:
bonds (distance) C4'-P energy: -122.679
bonds (distance) P-C4' energy: -153.856
flat angles C4'-P-C4' energy: -160.428
flat angles P-C4'-P energy: -100.850
tors. eta vs tors. theta energy: -190.160
Dist. restrs. and SS energy: 2.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2119.715000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.715000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.494407 (E_RNA)
where:
Base-Base interactions energy: -1407.821
where: short stacking energy: -618.113
Base-Backbone interact. energy: -5.990
local terms energy: -709.684260
where:
bonds (distance) C4'-P energy: -127.898
bonds (distance) P-C4' energy: -147.604
flat angles C4'-P-C4' energy: -161.239
flat angles P-C4'-P energy: -98.537
tors. eta vs tors. theta energy: -174.406
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: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2021.335069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.335069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.220787 (E_RNA)
where:
Base-Base interactions energy: -1356.341
where: short stacking energy: -587.960
Base-Backbone interact. energy: -3.956
local terms energy: -665.923796
where:
bonds (distance) C4'-P energy: -125.903
bonds (distance) P-C4' energy: -150.975
flat angles C4'-P-C4' energy: -145.198
flat angles P-C4'-P energy: -93.254
tors. eta vs tors. theta energy: -150.594
Dist. restrs. and SS energy: 4.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1957.613631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.613631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.441503 (E_RNA)
where:
Base-Base interactions energy: -1347.000
where: short stacking energy: -576.468
Base-Backbone interact. energy: 2.054
local terms energy: -616.496221
where:
bonds (distance) C4'-P energy: -123.002
bonds (distance) P-C4' energy: -123.859
flat angles C4'-P-C4' energy: -135.759
flat angles P-C4'-P energy: -83.697
tors. eta vs tors. theta energy: -150.179
Dist. restrs. and SS energy: 3.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1864.756964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.756964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.866299 (E_RNA)
where:
Base-Base interactions energy: -1268.525
where: short stacking energy: -533.793
Base-Backbone interact. energy: 0.038
local terms energy: -598.379735
where:
bonds (distance) C4'-P energy: -129.432
bonds (distance) P-C4' energy: -128.498
flat angles C4'-P-C4' energy: -132.340
flat angles P-C4'-P energy: -90.156
tors. eta vs tors. theta energy: -117.955
Dist. restrs. and SS energy: 2.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2895.233506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.233506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.863570 (E_RNA)
where:
Base-Base interactions energy: -2008.413
where: short stacking energy: -819.554
Base-Backbone interact. energy: 3.358
local terms energy: -891.808926
where:
bonds (distance) C4'-P energy: -167.235
bonds (distance) P-C4' energy: -176.045
flat angles C4'-P-C4' energy: -183.392
flat angles P-C4'-P energy: -125.892
tors. eta vs tors. theta energy: -239.245
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: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2772.191345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.191345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.611012 (E_RNA)
where:
Base-Base interactions energy: -1929.619
where: short stacking energy: -820.955
Base-Backbone interact. energy: -1.446
local terms energy: -843.545100
where:
bonds (distance) C4'-P energy: -138.746
bonds (distance) P-C4' energy: -164.803
flat angles C4'-P-C4' energy: -183.821
flat angles P-C4'-P energy: -115.270
tors. eta vs tors. theta energy: -240.906
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: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2778.345029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.345029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.643050 (E_RNA)
where:
Base-Base interactions energy: -1946.819
where: short stacking energy: -789.964
Base-Backbone interact. energy: 4.223
local terms energy: -837.046663
where:
bonds (distance) C4'-P energy: -154.261
bonds (distance) P-C4' energy: -159.393
flat angles C4'-P-C4' energy: -171.224
flat angles P-C4'-P energy: -116.980
tors. eta vs tors. theta energy: -235.188
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: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2556.130933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.130933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.275196 (E_RNA)
where:
Base-Base interactions energy: -1722.956
where: short stacking energy: -722.195
Base-Backbone interact. energy: 3.890
local terms energy: -838.209251
where:
bonds (distance) C4'-P energy: -152.763
bonds (distance) P-C4' energy: -149.334
flat angles C4'-P-C4' energy: -192.331
flat angles P-C4'-P energy: -123.180
tors. eta vs tors. theta energy: -220.602
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: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2380.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.585316 (E_RNA)
where:
Base-Base interactions energy: -1630.640
where: short stacking energy: -700.654
Base-Backbone interact. energy: 6.068
local terms energy: -758.012780
where:
bonds (distance) C4'-P energy: -154.937
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -159.565
flat angles P-C4'-P energy: -113.259
tors. eta vs tors. theta energy: -188.878
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: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2261.962187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.962187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.532163 (E_RNA)
where:
Base-Base interactions energy: -1534.604
where: short stacking energy: -649.423
Base-Backbone interact. energy: -1.827
local terms energy: -727.101828
where:
bonds (distance) C4'-P energy: -127.299
bonds (distance) P-C4' energy: -138.095
flat angles C4'-P-C4' energy: -155.847
flat angles P-C4'-P energy: -111.377
tors. eta vs tors. theta energy: -194.484
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2132.518725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.518725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.340710 (E_RNA)
where:
Base-Base interactions energy: -1455.509
where: short stacking energy: -634.257
Base-Backbone interact. energy: -0.977
local terms energy: -677.854643
where:
bonds (distance) C4'-P energy: -117.627
bonds (distance) P-C4' energy: -137.198
flat angles C4'-P-C4' energy: -157.260
flat angles P-C4'-P energy: -98.650
tors. eta vs tors. theta energy: -167.120
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: 482
Temperature: 1.250000
Total energy: -1980.800337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.800337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.015724 (E_RNA)
where:
Base-Base interactions energy: -1327.841
where: short stacking energy: -551.915
Base-Backbone interact. energy: -3.715
local terms energy: -651.459345
where:
bonds (distance) C4'-P energy: -148.777
bonds (distance) P-C4' energy: -148.412
flat angles C4'-P-C4' energy: -151.206
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -134.523
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1947.566067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.566067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.783479 (E_RNA)
where:
Base-Base interactions energy: -1334.064
where: short stacking energy: -560.258
Base-Backbone interact. energy: 3.565
local terms energy: -619.283764
where:
bonds (distance) C4'-P energy: -107.777
bonds (distance) P-C4' energy: -133.577
flat angles C4'-P-C4' energy: -134.439
flat angles P-C4'-P energy: -98.392
tors. eta vs tors. theta energy: -145.099
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: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1859.847928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.847928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.878910 (E_RNA)
where:
Base-Base interactions energy: -1278.172
where: short stacking energy: -513.288
Base-Backbone interact. energy: 4.409
local terms energy: -589.115761
where:
bonds (distance) C4'-P energy: -100.669
bonds (distance) P-C4' energy: -130.347
flat angles C4'-P-C4' energy: -145.320
flat angles P-C4'-P energy: -85.413
tors. eta vs tors. theta energy: -127.367
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2924.717603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.717603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.605890 (E_RNA)
where:
Base-Base interactions energy: -2036.008
where: short stacking energy: -845.137
Base-Backbone interact. energy: -0.064
local terms energy: -890.533604
where:
bonds (distance) C4'-P energy: -178.324
bonds (distance) P-C4' energy: -160.165
flat angles C4'-P-C4' energy: -183.653
flat angles P-C4'-P energy: -124.367
tors. eta vs tors. theta energy: -244.025
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: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2762.582154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.582154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.444678 (E_RNA)
where:
Base-Base interactions energy: -1909.412
where: short stacking energy: -800.719
Base-Backbone interact. energy: 2.491
local terms energy: -857.523978
where:
bonds (distance) C4'-P energy: -162.755
bonds (distance) P-C4' energy: -155.012
flat angles C4'-P-C4' energy: -179.080
flat angles P-C4'-P energy: -123.112
tors. eta vs tors. theta energy: -237.565
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: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2715.597823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.597823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.751376 (E_RNA)
where:
Base-Base interactions energy: -1905.250
where: short stacking energy: -769.959
Base-Backbone interact. energy: -3.524
local terms energy: -808.977550
where:
bonds (distance) C4'-P energy: -159.531
bonds (distance) P-C4' energy: -145.828
flat angles C4'-P-C4' energy: -173.458
flat angles P-C4'-P energy: -111.337
tors. eta vs tors. theta energy: -218.823
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: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2532.541193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.541193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.132286 (E_RNA)
where:
Base-Base interactions energy: -1767.039
where: short stacking energy: -737.972
Base-Backbone interact. energy: 3.084
local terms energy: -770.176795
where:
bonds (distance) C4'-P energy: -150.655
bonds (distance) P-C4' energy: -137.096
flat angles C4'-P-C4' energy: -179.292
flat angles P-C4'-P energy: -99.858
tors. eta vs tors. theta energy: -203.276
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: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2356.573274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.573274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.982404 (E_RNA)
where:
Base-Base interactions energy: -1615.880
where: short stacking energy: -707.252
Base-Backbone interact. energy: 5.539
local terms energy: -748.641719
where:
bonds (distance) C4'-P energy: -145.365
bonds (distance) P-C4' energy: -123.797
flat angles C4'-P-C4' energy: -163.843
flat angles P-C4'-P energy: -108.392
tors. eta vs tors. theta energy: -207.245
Dist. restrs. and SS energy: 2.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2296.582272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.582272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.864840 (E_RNA)
where:
Base-Base interactions energy: -1559.172
where: short stacking energy: -681.667
Base-Backbone interact. energy: 1.111
local terms energy: -739.804146
where:
bonds (distance) C4'-P energy: -144.687
bonds (distance) P-C4' energy: -151.194
flat angles C4'-P-C4' energy: -155.398
flat angles P-C4'-P energy: -98.369
tors. eta vs tors. theta energy: -190.156
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: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2090.819775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.819775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.114793 (E_RNA)
where:
Base-Base interactions energy: -1405.575
where: short stacking energy: -597.608
Base-Backbone interact. energy: -2.693
local terms energy: -683.847167
where:
bonds (distance) C4'-P energy: -125.052
bonds (distance) P-C4' energy: -136.855
flat angles C4'-P-C4' energy: -158.450
flat angles P-C4'-P energy: -100.978
tors. eta vs tors. theta energy: -162.512
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1995.218188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.218188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.400143 (E_RNA)
where:
Base-Base interactions energy: -1334.965
where: short stacking energy: -579.150
Base-Backbone interact. energy: -2.768
local terms energy: -660.667033
where:
bonds (distance) C4'-P energy: -133.340
bonds (distance) P-C4' energy: -130.693
flat angles C4'-P-C4' energy: -137.019
flat angles P-C4'-P energy: -97.889
tors. eta vs tors. theta energy: -161.726
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: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1953.307932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.307932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.931972 (E_RNA)
where:
Base-Base interactions energy: -1307.431
where: short stacking energy: -529.503
Base-Backbone interact. energy: -2.079
local terms energy: -646.422304
where:
bonds (distance) C4'-P energy: -120.198
bonds (distance) P-C4' energy: -141.756
flat angles C4'-P-C4' energy: -151.536
flat angles P-C4'-P energy: -102.640
tors. eta vs tors. theta energy: -130.293
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: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1824.306840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.306840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.768215 (E_RNA)
where:
Base-Base interactions energy: -1226.819
where: short stacking energy: -509.612
Base-Backbone interact. energy: 4.574
local terms energy: -608.523184
where:
bonds (distance) C4'-P energy: -129.971
bonds (distance) P-C4' energy: -132.673
flat angles C4'-P-C4' energy: -138.792
flat angles P-C4'-P energy: -69.696
tors. eta vs tors. theta energy: -137.393
Dist. restrs. and SS energy: 6.461 (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: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2909.087546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.087546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.139729 (E_RNA)
where:
Base-Base interactions energy: -2056.028
where: short stacking energy: -835.338
Base-Backbone interact. energy: -2.952
local terms energy: -851.159558
where:
bonds (distance) C4'-P energy: -161.572
bonds (distance) P-C4' energy: -167.760
flat angles C4'-P-C4' energy: -175.119
flat angles P-C4'-P energy: -113.258
tors. eta vs tors. theta energy: -233.451
Dist. restrs. and SS energy: 1.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2758.304204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.304204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.304577 (E_RNA)
where:
Base-Base interactions energy: -1910.402
where: short stacking energy: -801.531
Base-Backbone interact. energy: 4.416
local terms energy: -853.318545
where:
bonds (distance) C4'-P energy: -132.087
bonds (distance) P-C4' energy: -164.332
flat angles C4'-P-C4' energy: -185.700
flat angles P-C4'-P energy: -123.574
tors. eta vs tors. theta energy: -247.626
Dist. restrs. and SS energy: 1.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2724.449577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.449577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.762606 (E_RNA)
where:
Base-Base interactions energy: -1916.257
where: short stacking energy: -804.860
Base-Backbone interact. energy: -1.570
local terms energy: -807.935819
where:
bonds (distance) C4'-P energy: -148.586
bonds (distance) P-C4' energy: -144.686
flat angles C4'-P-C4' energy: -170.588
flat angles P-C4'-P energy: -114.263
tors. eta vs tors. theta energy: -229.812
Dist. restrs. and SS energy: 1.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2534.548696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.548696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.359533 (E_RNA)
where:
Base-Base interactions energy: -1740.194
where: short stacking energy: -723.644
Base-Backbone interact. energy: -2.065
local terms energy: -795.100995
where:
bonds (distance) C4'-P energy: -143.222
bonds (distance) P-C4' energy: -155.925
flat angles C4'-P-C4' energy: -179.761
flat angles P-C4'-P energy: -105.786
tors. eta vs tors. theta energy: -210.407
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2358.976662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.976662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.926011 (E_RNA)
where:
Base-Base interactions energy: -1619.244
where: short stacking energy: -684.454
Base-Backbone interact. energy: 2.763
local terms energy: -744.445633
where:
bonds (distance) C4'-P energy: -120.504
bonds (distance) P-C4' energy: -134.047
flat angles C4'-P-C4' energy: -176.751
flat angles P-C4'-P energy: -110.684
tors. eta vs tors. theta energy: -202.460
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2268.317902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.317902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.424031 (E_RNA)
where:
Base-Base interactions energy: -1549.761
where: short stacking energy: -642.757
Base-Backbone interact. energy: -2.331
local terms energy: -718.332260
where:
bonds (distance) C4'-P energy: -132.188
bonds (distance) P-C4' energy: -151.823
flat angles C4'-P-C4' energy: -157.184
flat angles P-C4'-P energy: -102.406
tors. eta vs tors. theta energy: -174.731
Dist. restrs. and SS energy: 2.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2080.172644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.172644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.572009 (E_RNA)
where:
Base-Base interactions energy: -1415.866
where: short stacking energy: -587.392
Base-Backbone interact. energy: -1.260
local terms energy: -664.445304
where:
bonds (distance) C4'-P energy: -128.758
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -146.977
flat angles P-C4'-P energy: -89.631
tors. eta vs tors. theta energy: -156.942
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2021.539556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.539556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.642457 (E_RNA)
where:
Base-Base interactions energy: -1368.632
where: short stacking energy: -582.284
Base-Backbone interact. energy: 3.302
local terms energy: -658.312383
where:
bonds (distance) C4'-P energy: -131.763
bonds (distance) P-C4' energy: -136.623
flat angles C4'-P-C4' energy: -142.116
flat angles P-C4'-P energy: -88.652
tors. eta vs tors. theta energy: -159.158
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: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1907.455595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.455595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.313342 (E_RNA)
where:
Base-Base interactions energy: -1275.302
where: short stacking energy: -513.557
Base-Backbone interact. energy: 6.305
local terms energy: -641.315404
where:
bonds (distance) C4'-P energy: -137.149
bonds (distance) P-C4' energy: -137.848
flat angles C4'-P-C4' energy: -148.427
flat angles P-C4'-P energy: -77.695
tors. eta vs tors. theta energy: -140.197
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: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1826.362325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.362325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.400330 (E_RNA)
where:
Base-Base interactions energy: -1257.955
where: short stacking energy: -533.594
Base-Backbone interact. energy: 1.095
local terms energy: -573.540754
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -122.204
flat angles C4'-P-C4' energy: -136.331
flat angles P-C4'-P energy: -73.165
tors. eta vs tors. theta energy: -119.290
Dist. restrs. and SS energy: 4.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2912.804892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.804892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.073640 (E_RNA)
where:
Base-Base interactions energy: -2044.487
where: short stacking energy: -828.757
Base-Backbone interact. energy: -3.797
local terms energy: -866.789752
where:
bonds (distance) C4'-P energy: -151.478
bonds (distance) P-C4' energy: -161.034
flat angles C4'-P-C4' energy: -184.002
flat angles P-C4'-P energy: -128.828
tors. eta vs tors. theta energy: -241.448
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: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2750.830744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.830744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.706671 (E_RNA)
where:
Base-Base interactions energy: -1896.952
where: short stacking energy: -808.451
Base-Backbone interact. energy: -0.877
local terms energy: -854.877366
where:
bonds (distance) C4'-P energy: -148.927
bonds (distance) P-C4' energy: -166.657
flat angles C4'-P-C4' energy: -186.688
flat angles P-C4'-P energy: -119.563
tors. eta vs tors. theta energy: -233.043
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: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2717.239920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.239920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.292194 (E_RNA)
where:
Base-Base interactions energy: -1882.952
where: short stacking energy: -790.259
Base-Backbone interact. energy: -3.101
local terms energy: -833.239853
where:
bonds (distance) C4'-P energy: -151.001
bonds (distance) P-C4' energy: -148.051
flat angles C4'-P-C4' energy: -183.812
flat angles P-C4'-P energy: -110.304
tors. eta vs tors. theta energy: -240.072
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: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2545.058302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.058302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.094116 (E_RNA)
where:
Base-Base interactions energy: -1751.362
where: short stacking energy: -755.929
Base-Backbone interact. energy: 5.364
local terms energy: -801.096586
where:
bonds (distance) C4'-P energy: -137.086
bonds (distance) P-C4' energy: -155.915
flat angles C4'-P-C4' energy: -172.522
flat angles P-C4'-P energy: -116.049
tors. eta vs tors. theta energy: -219.525
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: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2355.182859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.182859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.368988 (E_RNA)
where:
Base-Base interactions energy: -1599.307
where: short stacking energy: -686.440
Base-Backbone interact. energy: -0.739
local terms energy: -757.322596
where:
bonds (distance) C4'-P energy: -144.667
bonds (distance) P-C4' energy: -140.298
flat angles C4'-P-C4' energy: -176.119
flat angles P-C4'-P energy: -102.846
tors. eta vs tors. theta energy: -193.392
Dist. restrs. and SS energy: 2.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2293.980491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.980491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.793284 (E_RNA)
where:
Base-Base interactions energy: -1559.672
where: short stacking energy: -661.776
Base-Backbone interact. energy: 0.170
local terms energy: -736.290694
where:
bonds (distance) C4'-P energy: -139.166
bonds (distance) P-C4' energy: -134.679
flat angles C4'-P-C4' energy: -173.968
flat angles P-C4'-P energy: -111.742
tors. eta vs tors. theta energy: -176.735
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: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2102.826422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.826422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.663642 (E_RNA)
where:
Base-Base interactions energy: -1395.169
where: short stacking energy: -612.126
Base-Backbone interact. energy: -0.410
local terms energy: -709.084718
where:
bonds (distance) C4'-P energy: -128.166
bonds (distance) P-C4' energy: -146.517
flat angles C4'-P-C4' energy: -146.493
flat angles P-C4'-P energy: -115.300
tors. eta vs tors. theta energy: -172.609
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: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2017.968518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.968518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.832047 (E_RNA)
where:
Base-Base interactions energy: -1329.144
where: short stacking energy: -586.325
Base-Backbone interact. energy: 9.003
local terms energy: -700.691587
where:
bonds (distance) C4'-P energy: -146.596
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -146.986
flat angles P-C4'-P energy: -120.147
tors. eta vs tors. theta energy: -143.186
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: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1946.817896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.817896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.629912 (E_RNA)
where:
Base-Base interactions energy: -1342.011
where: short stacking energy: -578.018
Base-Backbone interact. energy: 3.459
local terms energy: -610.077473
where:
bonds (distance) C4'-P energy: -117.634
bonds (distance) P-C4' energy: -127.714
flat angles C4'-P-C4' energy: -140.538
flat angles P-C4'-P energy: -79.942
tors. eta vs tors. theta energy: -144.249
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: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1883.127444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.127444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.960652 (E_RNA)
where:
Base-Base interactions energy: -1308.245
where: short stacking energy: -560.523
Base-Backbone interact. energy: 4.232
local terms energy: -581.947394
where:
bonds (distance) C4'-P energy: -119.152
bonds (distance) P-C4' energy: -122.288
flat angles C4'-P-C4' energy: -116.026
flat angles P-C4'-P energy: -84.839
tors. eta vs tors. theta energy: -139.643
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: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2919.284305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.284305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.560512 (E_RNA)
where:
Base-Base interactions energy: -2052.641
where: short stacking energy: -831.969
Base-Backbone interact. energy: 4.147
local terms energy: -872.066115
where:
bonds (distance) C4'-P energy: -151.657
bonds (distance) P-C4' energy: -171.439
flat angles C4'-P-C4' energy: -188.082
flat angles P-C4'-P energy: -113.442
tors. eta vs tors. theta energy: -247.447
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2758.539566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.539566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.396233 (E_RNA)
where:
Base-Base interactions energy: -1889.908
where: short stacking energy: -806.815
Base-Backbone interact. energy: 1.677
local terms energy: -872.164898
where:
bonds (distance) C4'-P energy: -162.066
bonds (distance) P-C4' energy: -161.697
flat angles C4'-P-C4' energy: -196.128
flat angles P-C4'-P energy: -115.861
tors. eta vs tors. theta energy: -236.412
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: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2738.445409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.445409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.442127 (E_RNA)
where:
Base-Base interactions energy: -1930.312
where: short stacking energy: -770.193
Base-Backbone interact. energy: 6.286
local terms energy: -815.416540
where:
bonds (distance) C4'-P energy: -143.419
bonds (distance) P-C4' energy: -150.944
flat angles C4'-P-C4' energy: -172.960
flat angles P-C4'-P energy: -124.379
tors. eta vs tors. theta energy: -223.715
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2580.793504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.793504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.139619 (E_RNA)
where:
Base-Base interactions energy: -1783.334
where: short stacking energy: -734.527
Base-Backbone interact. energy: 6.449
local terms energy: -806.254473
where:
bonds (distance) C4'-P energy: -144.728
bonds (distance) P-C4' energy: -150.655
flat angles C4'-P-C4' energy: -172.163
flat angles P-C4'-P energy: -115.811
tors. eta vs tors. theta energy: -222.898
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: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2382.126512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.126512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.525833 (E_RNA)
where:
Base-Base interactions energy: -1628.642
where: short stacking energy: -698.065
Base-Backbone interact. energy: 1.395
local terms energy: -756.278919
where:
bonds (distance) C4'-P energy: -147.794
bonds (distance) P-C4' energy: -144.034
flat angles C4'-P-C4' energy: -160.992
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -213.041
Dist. restrs. and SS energy: 1.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2240.336492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.336492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.813396 (E_RNA)
where:
Base-Base interactions energy: -1536.202
where: short stacking energy: -674.537
Base-Backbone interact. energy: -3.066
local terms energy: -704.545694
where:
bonds (distance) C4'-P energy: -141.215
bonds (distance) P-C4' energy: -118.050
flat angles C4'-P-C4' energy: -179.174
flat angles P-C4'-P energy: -91.776
tors. eta vs tors. theta energy: -174.330
Dist. restrs. and SS energy: 3.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2081.824326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.824326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.567626 (E_RNA)
where:
Base-Base interactions energy: -1388.477
where: short stacking energy: -604.026
Base-Backbone interact. energy: 1.823
local terms energy: -698.912923
where:
bonds (distance) C4'-P energy: -141.085
bonds (distance) P-C4' energy: -140.333
flat angles C4'-P-C4' energy: -164.819
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -159.013
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: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1974.527939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.527939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.337120 (E_RNA)
where:
Base-Base interactions energy: -1344.482
where: short stacking energy: -545.947
Base-Backbone interact. energy: 4.212
local terms energy: -637.067337
where:
bonds (distance) C4'-P energy: -122.627
bonds (distance) P-C4' energy: -121.762
flat angles C4'-P-C4' energy: -142.644
flat angles P-C4'-P energy: -108.569
tors. eta vs tors. theta energy: -141.466
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: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1955.529775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.529775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.907472 (E_RNA)
where:
Base-Base interactions energy: -1288.324
where: short stacking energy: -543.466
Base-Backbone interact. energy: -4.866
local terms energy: -666.717927
where:
bonds (distance) C4'-P energy: -128.864
bonds (distance) P-C4' energy: -132.441
flat angles C4'-P-C4' energy: -164.172
flat angles P-C4'-P energy: -97.682
tors. eta vs tors. theta energy: -143.560
Dist. restrs. and SS energy: 4.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1912.102887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.102887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.980315 (E_RNA)
where:
Base-Base interactions energy: -1280.069
where: short stacking energy: -517.453
Base-Backbone interact. energy: 1.145
local terms energy: -638.057087
where:
bonds (distance) C4'-P energy: -137.086
bonds (distance) P-C4' energy: -160.460
flat angles C4'-P-C4' energy: -128.453
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -138.773
Dist. restrs. and SS energy: 4.877 (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: 487
Temperature: 0.900000
Total energy: -2929.258278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.258278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.225709 (E_RNA)
where:
Base-Base interactions energy: -2052.604
where: short stacking energy: -840.364
Base-Backbone interact. energy: 5.551
local terms energy: -883.172818
where:
bonds (distance) C4'-P energy: -172.542
bonds (distance) P-C4' energy: -148.729
flat angles C4'-P-C4' energy: -178.217
flat angles P-C4'-P energy: -134.649
tors. eta vs tors. theta energy: -249.036
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2843.779755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.779755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.946193 (E_RNA)
where:
Base-Base interactions energy: -1989.776
where: short stacking energy: -836.978
Base-Backbone interact. energy: 2.836
local terms energy: -858.006472
where:
bonds (distance) C4'-P energy: -156.510
bonds (distance) P-C4' energy: -153.184
flat angles C4'-P-C4' energy: -183.667
flat angles P-C4'-P energy: -118.062
tors. eta vs tors. theta energy: -246.583
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: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2703.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.598074 (E_RNA)
where:
Base-Base interactions energy: -1862.907
where: short stacking energy: -788.767
Base-Backbone interact. energy: -2.698
local terms energy: -838.993572
where:
bonds (distance) C4'-P energy: -152.321
bonds (distance) P-C4' energy: -166.684
flat angles C4'-P-C4' energy: -176.487
flat angles P-C4'-P energy: -124.147
tors. eta vs tors. theta energy: -219.354
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: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2560.302403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.302403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.508088 (E_RNA)
where:
Base-Base interactions energy: -1772.662
where: short stacking energy: -725.749
Base-Backbone interact. energy: -4.334
local terms energy: -785.512516
where:
bonds (distance) C4'-P energy: -146.791
bonds (distance) P-C4' energy: -149.168
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -120.126
tors. eta vs tors. theta energy: -206.719
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: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2375.653576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.653576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.025791 (E_RNA)
where:
Base-Base interactions energy: -1589.176
where: short stacking energy: -683.270
Base-Backbone interact. energy: 0.074
local terms energy: -788.923432
where:
bonds (distance) C4'-P energy: -165.699
bonds (distance) P-C4' energy: -156.154
flat angles C4'-P-C4' energy: -170.236
flat angles P-C4'-P energy: -100.499
tors. eta vs tors. theta energy: -196.335
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2254.541960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.541960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.506123 (E_RNA)
where:
Base-Base interactions energy: -1527.481
where: short stacking energy: -648.142
Base-Backbone interact. energy: 2.682
local terms energy: -730.707137
where:
bonds (distance) C4'-P energy: -120.600
bonds (distance) P-C4' energy: -145.177
flat angles C4'-P-C4' energy: -169.312
flat angles P-C4'-P energy: -111.094
tors. eta vs tors. theta energy: -184.525
Dist. restrs. and SS energy: 0.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2102.985678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.985678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.852386 (E_RNA)
where:
Base-Base interactions energy: -1407.063
where: short stacking energy: -593.003
Base-Backbone interact. energy: 3.532
local terms energy: -702.321557
where:
bonds (distance) C4'-P energy: -136.065
bonds (distance) P-C4' energy: -154.236
flat angles C4'-P-C4' energy: -153.532
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: -170.484
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: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1998.764150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.764150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.500307 (E_RNA)
where:
Base-Base interactions energy: -1345.119
where: short stacking energy: -558.319
Base-Backbone interact. energy: 0.353
local terms energy: -656.734730
where:
bonds (distance) C4'-P energy: -149.995
bonds (distance) P-C4' energy: -132.630
flat angles C4'-P-C4' energy: -136.061
flat angles P-C4'-P energy: -97.283
tors. eta vs tors. theta energy: -140.766
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: 487
Temperature: 1.300000
Total energy: -1943.221840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.221840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.477908 (E_RNA)
where:
Base-Base interactions energy: -1300.703
where: short stacking energy: -568.332
Base-Backbone interact. energy: -2.724
local terms energy: -643.051448
where:
bonds (distance) C4'-P energy: -123.157
bonds (distance) P-C4' energy: -112.389
flat angles C4'-P-C4' energy: -152.414
flat angles P-C4'-P energy: -96.516
tors. eta vs tors. theta energy: -158.576
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1917.011589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.011589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.577805 (E_RNA)
where:
Base-Base interactions energy: -1299.463
where: short stacking energy: -529.976
Base-Backbone interact. energy: 0.485
local terms energy: -621.599674
where:
bonds (distance) C4'-P energy: -114.201
bonds (distance) P-C4' energy: -147.460
flat angles C4'-P-C4' energy: -119.514
flat angles P-C4'-P energy: -86.049
tors. eta vs tors. theta energy: -154.375
Dist. restrs. and SS energy: 3.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2907.462935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.462935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.558289 (E_RNA)
where:
Base-Base interactions energy: -2009.899
where: short stacking energy: -828.382
Base-Backbone interact. energy: -0.930
local terms energy: -897.729167
where:
bonds (distance) C4'-P energy: -169.932
bonds (distance) P-C4' energy: -166.068
flat angles C4'-P-C4' energy: -185.988
flat angles P-C4'-P energy: -124.707
tors. eta vs tors. theta energy: -251.034
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2817.756759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.756759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.392128 (E_RNA)
where:
Base-Base interactions energy: -1956.739
where: short stacking energy: -824.643
Base-Backbone interact. energy: -7.775
local terms energy: -853.878176
where:
bonds (distance) C4'-P energy: -151.375
bonds (distance) P-C4' energy: -155.748
flat angles C4'-P-C4' energy: -181.060
flat angles P-C4'-P energy: -119.633
tors. eta vs tors. theta energy: -246.062
Dist. restrs. and SS energy: 0.635 (S_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: 488
Temperature: 1.000000
Total energy: -2702.790020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.790020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.896319 (E_RNA)
where:
Base-Base interactions energy: -1893.496
where: short stacking energy: -812.567
Base-Backbone interact. energy: -0.869
local terms energy: -810.532125
where:
bonds (distance) C4'-P energy: -151.301
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -174.620
flat angles P-C4'-P energy: -115.800
tors. eta vs tors. theta energy: -233.789
Dist. restrs. and SS energy: 2.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2543.681445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.681445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.532704 (E_RNA)
where:
Base-Base interactions energy: -1768.277
where: short stacking energy: -718.014
Base-Backbone interact. energy: -1.777
local terms energy: -775.478923
where:
bonds (distance) C4'-P energy: -132.347
bonds (distance) P-C4' energy: -144.553
flat angles C4'-P-C4' energy: -162.778
flat angles P-C4'-P energy: -127.230
tors. eta vs tors. theta energy: -208.571
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: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2363.428637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.428637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.400176 (E_RNA)
where:
Base-Base interactions energy: -1598.732
where: short stacking energy: -667.540
Base-Backbone interact. energy: 4.328
local terms energy: -769.996145
where:
bonds (distance) C4'-P energy: -146.967
bonds (distance) P-C4' energy: -151.294
flat angles C4'-P-C4' energy: -161.025
flat angles P-C4'-P energy: -118.320
tors. eta vs tors. theta energy: -192.390
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2299.992643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.992643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.739498 (E_RNA)
where:
Base-Base interactions energy: -1592.747
where: short stacking energy: -669.698
Base-Backbone interact. energy: 1.194
local terms energy: -710.185864
where:
bonds (distance) C4'-P energy: -124.832
bonds (distance) P-C4' energy: -155.311
flat angles C4'-P-C4' energy: -162.714
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -182.023
Dist. restrs. and SS energy: 1.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2082.477356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.477356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.505281 (E_RNA)
where:
Base-Base interactions energy: -1387.334
where: short stacking energy: -580.380
Base-Backbone interact. energy: 3.672
local terms energy: -700.843275
where:
bonds (distance) C4'-P energy: -139.183
bonds (distance) P-C4' energy: -147.648
flat angles C4'-P-C4' energy: -162.678
flat angles P-C4'-P energy: -96.093
tors. eta vs tors. theta energy: -155.241
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: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1972.565714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.565714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.925374 (E_RNA)
where:
Base-Base interactions energy: -1324.934
where: short stacking energy: -557.770
Base-Backbone interact. energy: -3.026
local terms energy: -646.965991
where:
bonds (distance) C4'-P energy: -127.049
bonds (distance) P-C4' energy: -151.285
flat angles C4'-P-C4' energy: -152.157
flat angles P-C4'-P energy: -88.240
tors. eta vs tors. theta energy: -128.235
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1933.332922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.332922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.950400 (E_RNA)
where:
Base-Base interactions energy: -1302.522
where: short stacking energy: -540.437
Base-Backbone interact. energy: 1.358
local terms energy: -635.785660
where:
bonds (distance) C4'-P energy: -117.770
bonds (distance) P-C4' energy: -134.904
flat angles C4'-P-C4' energy: -149.238
flat angles P-C4'-P energy: -90.242
tors. eta vs tors. theta energy: -143.632
Dist. restrs. and SS energy: 3.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -1843.462405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.462405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.450983 (E_RNA)
where:
Base-Base interactions energy: -1280.067
where: short stacking energy: -521.597
Base-Backbone interact. energy: 2.929
local terms energy: -573.312689
where:
bonds (distance) C4'-P energy: -113.524
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -144.838
flat angles P-C4'-P energy: -76.693
tors. eta vs tors. theta energy: -121.213
Dist. restrs. and SS energy: 6.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2939.712548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.712548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.574956 (E_RNA)
where:
Base-Base interactions energy: -2013.678
where: short stacking energy: -829.500
Base-Backbone interact. energy: -2.314
local terms energy: -925.583482
where:
bonds (distance) C4'-P energy: -174.586
bonds (distance) P-C4' energy: -170.738
flat angles C4'-P-C4' energy: -193.891
flat angles P-C4'-P energy: -131.495
tors. eta vs tors. theta energy: -254.873
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: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2811.090280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.090280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.185458 (E_RNA)
where:
Base-Base interactions energy: -1956.105
where: short stacking energy: -815.802
Base-Backbone interact. energy: -3.397
local terms energy: -852.683249
where:
bonds (distance) C4'-P energy: -149.996
bonds (distance) P-C4' energy: -157.538
flat angles C4'-P-C4' energy: -178.328
flat angles P-C4'-P energy: -121.943
tors. eta vs tors. theta energy: -244.878
Dist. restrs. and SS energy: 1.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2705.006669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.006669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.331368 (E_RNA)
where:
Base-Base interactions energy: -1858.393
where: short stacking energy: -805.904
Base-Backbone interact. energy: -2.976
local terms energy: -845.962262
where:
bonds (distance) C4'-P energy: -158.030
bonds (distance) P-C4' energy: -148.334
flat angles C4'-P-C4' energy: -182.959
flat angles P-C4'-P energy: -109.898
tors. eta vs tors. theta energy: -246.740
Dist. restrs. and SS energy: 2.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2558.440853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.440853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.203772 (E_RNA)
where:
Base-Base interactions energy: -1744.082
where: short stacking energy: -750.325
Base-Backbone interact. energy: -0.727
local terms energy: -815.394598
where:
bonds (distance) C4'-P energy: -160.373
bonds (distance) P-C4' energy: -152.255
flat angles C4'-P-C4' energy: -161.829
flat angles P-C4'-P energy: -128.237
tors. eta vs tors. theta energy: -212.701
Dist. restrs. and SS energy: 1.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2345.484401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.484401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.241623 (E_RNA)
where:
Base-Base interactions energy: -1589.707
where: short stacking energy: -682.090
Base-Backbone interact. energy: 3.263
local terms energy: -760.797121
where:
bonds (distance) C4'-P energy: -153.231
bonds (distance) P-C4' energy: -155.952
flat angles C4'-P-C4' energy: -167.046
flat angles P-C4'-P energy: -95.369
tors. eta vs tors. theta energy: -189.200
Dist. restrs. and SS energy: 1.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2276.408701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.408701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.084993 (E_RNA)
where:
Base-Base interactions energy: -1544.244
where: short stacking energy: -667.588
Base-Backbone interact. energy: -1.196
local terms energy: -731.645727
where:
bonds (distance) C4'-P energy: -129.494
bonds (distance) P-C4' energy: -140.486
flat angles C4'-P-C4' energy: -147.993
flat angles P-C4'-P energy: -112.066
tors. eta vs tors. theta energy: -201.607
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2082.741438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.741438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.468233 (E_RNA)
where:
Base-Base interactions energy: -1398.052
where: short stacking energy: -600.180
Base-Backbone interact. energy: -2.812
local terms energy: -685.604149
where:
bonds (distance) C4'-P energy: -138.066
bonds (distance) P-C4' energy: -134.947
flat angles C4'-P-C4' energy: -154.878
flat angles P-C4'-P energy: -91.987
tors. eta vs tors. theta energy: -165.726
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2026.879849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.879849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.147726 (E_RNA)
where:
Base-Base interactions energy: -1335.653
where: short stacking energy: -593.994
Base-Backbone interact. energy: 2.834
local terms energy: -696.328866
where:
bonds (distance) C4'-P energy: -128.175
bonds (distance) P-C4' energy: -142.308
flat angles C4'-P-C4' energy: -154.142
flat angles P-C4'-P energy: -102.369
tors. eta vs tors. theta energy: -169.335
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1920.506015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.506015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.797714 (E_RNA)
where:
Base-Base interactions energy: -1298.949
where: short stacking energy: -545.239
Base-Backbone interact. energy: 2.853
local terms energy: -627.701556
where:
bonds (distance) C4'-P energy: -153.471
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -131.325
flat angles P-C4'-P energy: -83.206
tors. eta vs tors. theta energy: -134.062
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: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -1841.039526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.039526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.990142 (E_RNA)
where:
Base-Base interactions energy: -1301.177
where: short stacking energy: -518.715
Base-Backbone interact. energy: 4.161
local terms energy: -548.973757
where:
bonds (distance) C4'-P energy: -121.603
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -111.658
flat angles P-C4'-P energy: -86.600
tors. eta vs tors. theta energy: -104.551
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2927.138598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.138598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.256311 (E_RNA)
where:
Base-Base interactions energy: -2053.391
where: short stacking energy: -838.364
Base-Backbone interact. energy: -1.779
local terms energy: -874.086709
where:
bonds (distance) C4'-P energy: -162.289
bonds (distance) P-C4' energy: -163.813
flat angles C4'-P-C4' energy: -173.981
flat angles P-C4'-P energy: -131.915
tors. eta vs tors. theta energy: -242.088
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: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2856.679712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.679712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.675541 (E_RNA)
where:
Base-Base interactions energy: -1992.246
where: short stacking energy: -824.056
Base-Backbone interact. energy: -2.997
local terms energy: -864.432566
where:
bonds (distance) C4'-P energy: -162.155
bonds (distance) P-C4' energy: -161.004
flat angles C4'-P-C4' energy: -178.385
flat angles P-C4'-P energy: -116.341
tors. eta vs tors. theta energy: -246.548
Dist. restrs. and SS energy: 2.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2696.977885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.977885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.394887 (E_RNA)
where:
Base-Base interactions energy: -1850.010
where: short stacking energy: -800.475
Base-Backbone interact. energy: -3.018
local terms energy: -846.366684
where:
bonds (distance) C4'-P energy: -135.018
bonds (distance) P-C4' energy: -154.927
flat angles C4'-P-C4' energy: -188.629
flat angles P-C4'-P energy: -122.376
tors. eta vs tors. theta energy: -245.417
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: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2574.228066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.228066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.445921 (E_RNA)
where:
Base-Base interactions energy: -1756.467
where: short stacking energy: -740.153
Base-Backbone interact. energy: -1.710
local terms energy: -817.269219
where:
bonds (distance) C4'-P energy: -142.936
bonds (distance) P-C4' energy: -156.725
flat angles C4'-P-C4' energy: -163.797
flat angles P-C4'-P energy: -128.023
tors. eta vs tors. theta energy: -225.789
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2322.053886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.053886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.178848 (E_RNA)
where:
Base-Base interactions energy: -1602.058
where: short stacking energy: -675.980
Base-Backbone interact. energy: 6.327
local terms energy: -729.448322
where:
bonds (distance) C4'-P energy: -141.995
bonds (distance) P-C4' energy: -130.204
flat angles C4'-P-C4' energy: -165.107
flat angles P-C4'-P energy: -110.959
tors. eta vs tors. theta energy: -181.184
Dist. restrs. and SS energy: 3.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2263.163742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.163742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.218035 (E_RNA)
where:
Base-Base interactions energy: -1515.884
where: short stacking energy: -650.384
Base-Backbone interact. energy: -0.796
local terms energy: -748.537418
where:
bonds (distance) C4'-P energy: -155.944
bonds (distance) P-C4' energy: -147.448
flat angles C4'-P-C4' energy: -157.995
flat angles P-C4'-P energy: -108.893
tors. eta vs tors. theta energy: -178.257
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: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2113.643558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.643558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.028786 (E_RNA)
where:
Base-Base interactions energy: -1477.954
where: short stacking energy: -639.532
Base-Backbone interact. energy: -1.469
local terms energy: -636.605760
where:
bonds (distance) C4'-P energy: -117.975
bonds (distance) P-C4' energy: -135.593
flat angles C4'-P-C4' energy: -130.293
flat angles P-C4'-P energy: -93.890
tors. eta vs tors. theta energy: -158.854
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: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2009.512410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.512410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.314502 (E_RNA)
where:
Base-Base interactions energy: -1359.085
where: short stacking energy: -558.620
Base-Backbone interact. energy: 0.718
local terms energy: -653.948113
where:
bonds (distance) C4'-P energy: -145.359
bonds (distance) P-C4' energy: -144.821
flat angles C4'-P-C4' energy: -143.318
flat angles P-C4'-P energy: -83.122
tors. eta vs tors. theta energy: -137.328
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: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1938.609359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.609359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.287448 (E_RNA)
where:
Base-Base interactions energy: -1337.768
where: short stacking energy: -545.163
Base-Backbone interact. energy: -2.010
local terms energy: -601.509931
where:
bonds (distance) C4'-P energy: -134.224
bonds (distance) P-C4' energy: -122.219
flat angles C4'-P-C4' energy: -137.298
flat angles P-C4'-P energy: -79.137
tors. eta vs tors. theta energy: -128.631
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: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1876.307775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.307775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.054630 (E_RNA)
where:
Base-Base interactions energy: -1312.894
where: short stacking energy: -528.865
Base-Backbone interact. energy: 0.236
local terms energy: -566.396597
where:
bonds (distance) C4'-P energy: -114.360
bonds (distance) P-C4' energy: -136.918
flat angles C4'-P-C4' energy: -114.308
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -121.719
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: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2926.108412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.108412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.218953 (E_RNA)
where:
Base-Base interactions energy: -2043.475
where: short stacking energy: -856.266
Base-Backbone interact. energy: -2.365
local terms energy: -882.378926
where:
bonds (distance) C4'-P energy: -161.513
bonds (distance) P-C4' energy: -151.764
flat angles C4'-P-C4' energy: -186.426
flat angles P-C4'-P energy: -129.301
tors. eta vs tors. theta energy: -253.375
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: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2870.692831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.692831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.072101 (E_RNA)
where:
Base-Base interactions energy: -1997.514
where: short stacking energy: -830.028
Base-Backbone interact. energy: 2.651
local terms energy: -879.209415
where:
bonds (distance) C4'-P energy: -166.059
bonds (distance) P-C4' energy: -161.486
flat angles C4'-P-C4' energy: -179.257
flat angles P-C4'-P energy: -127.176
tors. eta vs tors. theta energy: -245.231
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: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2682.964868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.964868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.543658 (E_RNA)
where:
Base-Base interactions energy: -1853.625
where: short stacking energy: -809.102
Base-Backbone interact. energy: 3.846
local terms energy: -835.764510
where:
bonds (distance) C4'-P energy: -149.835
bonds (distance) P-C4' energy: -147.688
flat angles C4'-P-C4' energy: -180.433
flat angles P-C4'-P energy: -122.391
tors. eta vs tors. theta energy: -235.418
Dist. restrs. and SS energy: 2.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2583.443937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.443937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.900677 (E_RNA)
where:
Base-Base interactions energy: -1793.327
where: short stacking energy: -757.578
Base-Backbone interact. energy: 1.558
local terms energy: -793.132052
where:
bonds (distance) C4'-P energy: -132.905
bonds (distance) P-C4' energy: -160.980
flat angles C4'-P-C4' energy: -161.645
flat angles P-C4'-P energy: -115.916
tors. eta vs tors. theta energy: -221.686
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: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2282.551160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.551160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.165943 (E_RNA)
where:
Base-Base interactions energy: -1571.919
where: short stacking energy: -664.990
Base-Backbone interact. energy: 5.704
local terms energy: -718.950478
where:
bonds (distance) C4'-P energy: -138.559
bonds (distance) P-C4' energy: -147.611
flat angles C4'-P-C4' energy: -152.288
flat angles P-C4'-P energy: -102.002
tors. eta vs tors. theta energy: -178.491
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2252.445205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.445205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.244513 (E_RNA)
where:
Base-Base interactions energy: -1556.247
where: short stacking energy: -666.481
Base-Backbone interact. energy: 2.611
local terms energy: -700.609206
where:
bonds (distance) C4'-P energy: -149.547
bonds (distance) P-C4' energy: -127.780
flat angles C4'-P-C4' energy: -161.297
flat angles P-C4'-P energy: -91.481
tors. eta vs tors. theta energy: -170.504
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2135.915796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.915796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.758090 (E_RNA)
where:
Base-Base interactions energy: -1425.704
where: short stacking energy: -611.243
Base-Backbone interact. energy: -2.896
local terms energy: -709.158407
where:
bonds (distance) C4'-P energy: -142.212
bonds (distance) P-C4' energy: -152.629
flat angles C4'-P-C4' energy: -146.532
flat angles P-C4'-P energy: -96.682
tors. eta vs tors. theta energy: -171.103
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: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -2032.650275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.650275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.318342 (E_RNA)
where:
Base-Base interactions energy: -1396.610
where: short stacking energy: -585.002
Base-Backbone interact. energy: -2.480
local terms energy: -636.228067
where:
bonds (distance) C4'-P energy: -127.672
bonds (distance) P-C4' energy: -123.588
flat angles C4'-P-C4' energy: -143.337
flat angles P-C4'-P energy: -94.629
tors. eta vs tors. theta energy: -147.002
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: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1940.325318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.325318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.394529 (E_RNA)
where:
Base-Base interactions energy: -1350.614
where: short stacking energy: -578.276
Base-Backbone interact. energy: 0.962
local terms energy: -593.742928
where:
bonds (distance) C4'-P energy: -113.768
bonds (distance) P-C4' energy: -123.757
flat angles C4'-P-C4' energy: -159.166
flat angles P-C4'-P energy: -69.073
tors. eta vs tors. theta energy: -127.979
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: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1880.458068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.458068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.687915 (E_RNA)
where:
Base-Base interactions energy: -1277.352
where: short stacking energy: -548.173
Base-Backbone interact. energy: 3.101
local terms energy: -610.436411
where:
bonds (distance) C4'-P energy: -111.756
bonds (distance) P-C4' energy: -133.005
flat angles C4'-P-C4' energy: -144.213
flat angles P-C4'-P energy: -74.350
tors. eta vs tors. theta energy: -147.111
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: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2931.263545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.263545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.830231 (E_RNA)
where:
Base-Base interactions energy: -2053.625
where: short stacking energy: -836.730
Base-Backbone interact. energy: -4.217
local terms energy: -875.988077
where:
bonds (distance) C4'-P energy: -149.800
bonds (distance) P-C4' energy: -161.310
flat angles C4'-P-C4' energy: -183.883
flat angles P-C4'-P energy: -136.404
tors. eta vs tors. theta energy: -244.592
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: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2833.725700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2833.725700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.437677 (E_RNA)
where:
Base-Base interactions energy: -1964.547
where: short stacking energy: -819.059
Base-Backbone interact. energy: 1.311
local terms energy: -873.202095
where:
bonds (distance) C4'-P energy: -155.655
bonds (distance) P-C4' energy: -158.491
flat angles C4'-P-C4' energy: -174.711
flat angles P-C4'-P energy: -128.835
tors. eta vs tors. theta energy: -255.510
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: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2672.566457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.566457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.090417 (E_RNA)
where:
Base-Base interactions energy: -1828.426
where: short stacking energy: -759.705
Base-Backbone interact. energy: -4.076
local terms energy: -841.589145
where:
bonds (distance) C4'-P energy: -163.175
bonds (distance) P-C4' energy: -140.464
flat angles C4'-P-C4' energy: -184.868
flat angles P-C4'-P energy: -118.475
tors. eta vs tors. theta energy: -234.607
Dist. restrs. and SS energy: 1.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2620.206064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.206064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.873225 (E_RNA)
where:
Base-Base interactions energy: -1803.051
where: short stacking energy: -774.132
Base-Backbone interact. energy: -2.371
local terms energy: -816.451118
where:
bonds (distance) C4'-P energy: -129.980
bonds (distance) P-C4' energy: -146.607
flat angles C4'-P-C4' energy: -178.101
flat angles P-C4'-P energy: -121.995
tors. eta vs tors. theta energy: -239.768
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: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2310.118720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.118720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.469085 (E_RNA)
where:
Base-Base interactions energy: -1580.924
where: short stacking energy: -659.586
Base-Backbone interact. energy: 6.007
local terms energy: -736.552319
where:
bonds (distance) C4'-P energy: -156.141
bonds (distance) P-C4' energy: -145.865
flat angles C4'-P-C4' energy: -161.055
flat angles P-C4'-P energy: -97.852
tors. eta vs tors. theta energy: -175.639
Dist. restrs. and SS energy: 1.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2296.306044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.306044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.606537 (E_RNA)
where:
Base-Base interactions energy: -1579.981
where: short stacking energy: -673.492
Base-Backbone interact. energy: -0.736
local terms energy: -716.889604
where:
bonds (distance) C4'-P energy: -132.413
bonds (distance) P-C4' energy: -133.925
flat angles C4'-P-C4' energy: -170.603
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -175.365
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2075.285216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.285216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.918822 (E_RNA)
where:
Base-Base interactions energy: -1399.321
where: short stacking energy: -581.356
Base-Backbone interact. energy: 1.877
local terms energy: -679.475354
where:
bonds (distance) C4'-P energy: -132.737
bonds (distance) P-C4' energy: -124.958
flat angles C4'-P-C4' energy: -154.478
flat angles P-C4'-P energy: -111.653
tors. eta vs tors. theta energy: -155.650
Dist. restrs. and SS energy: 1.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2055.020388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.020388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.274315 (E_RNA)
where:
Base-Base interactions energy: -1427.835
where: short stacking energy: -592.996
Base-Backbone interact. energy: 1.595
local terms energy: -631.033664
where:
bonds (distance) C4'-P energy: -132.373
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -134.148
flat angles P-C4'-P energy: -82.959
tors. eta vs tors. theta energy: -149.510
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: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1926.138449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.138449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.654613 (E_RNA)
where:
Base-Base interactions energy: -1300.604
where: short stacking energy: -561.252
Base-Backbone interact. energy: 1.106
local terms energy: -630.156548
where:
bonds (distance) C4'-P energy: -125.628
bonds (distance) P-C4' energy: -113.494
flat angles C4'-P-C4' energy: -144.027
flat angles P-C4'-P energy: -85.872
tors. eta vs tors. theta energy: -161.135
Dist. restrs. and SS energy: 3.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1905.151327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.151327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.214771 (E_RNA)
where:
Base-Base interactions energy: -1319.759
where: short stacking energy: -555.989
Base-Backbone interact. energy: -0.068
local terms energy: -588.387950
where:
bonds (distance) C4'-P energy: -134.541
bonds (distance) P-C4' energy: -126.321
flat angles C4'-P-C4' energy: -123.788
flat angles P-C4'-P energy: -65.118
tors. eta vs tors. theta energy: -138.620
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: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2913.662406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.662406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.681766 (E_RNA)
where:
Base-Base interactions energy: -2044.476
where: short stacking energy: -823.576
Base-Backbone interact. energy: -0.259
local terms energy: -870.947582
where:
bonds (distance) C4'-P energy: -153.886
bonds (distance) P-C4' energy: -167.909
flat angles C4'-P-C4' energy: -189.676
flat angles P-C4'-P energy: -129.432
tors. eta vs tors. theta energy: -230.044
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: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2808.152259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.152259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.003041 (E_RNA)
where:
Base-Base interactions energy: -1969.654
where: short stacking energy: -824.936
Base-Backbone interact. energy: -1.367
local terms energy: -838.982481
where:
bonds (distance) C4'-P energy: -142.568
bonds (distance) P-C4' energy: -162.848
flat angles C4'-P-C4' energy: -169.977
flat angles P-C4'-P energy: -124.349
tors. eta vs tors. theta energy: -239.241
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: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2684.806741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.806741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.131432 (E_RNA)
where:
Base-Base interactions energy: -1835.325
where: short stacking energy: -788.178
Base-Backbone interact. energy: -0.616
local terms energy: -850.190092
where:
bonds (distance) C4'-P energy: -154.049
bonds (distance) P-C4' energy: -150.357
flat angles C4'-P-C4' energy: -175.362
flat angles P-C4'-P energy: -126.080
tors. eta vs tors. theta energy: -244.342
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2569.102246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.102246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.233878 (E_RNA)
where:
Base-Base interactions energy: -1749.132
where: short stacking energy: -725.346
Base-Backbone interact. energy: -3.252
local terms energy: -818.850310
where:
bonds (distance) C4'-P energy: -148.612
bonds (distance) P-C4' energy: -165.601
flat angles C4'-P-C4' energy: -165.379
flat angles P-C4'-P energy: -118.269
tors. eta vs tors. theta energy: -220.990
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: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2272.441450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.441450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.282623 (E_RNA)
where:
Base-Base interactions energy: -1573.174
where: short stacking energy: -663.557
Base-Backbone interact. energy: 7.482
local terms energy: -708.590940
where:
bonds (distance) C4'-P energy: -141.853
bonds (distance) P-C4' energy: -135.491
flat angles C4'-P-C4' energy: -134.294
flat angles P-C4'-P energy: -116.699
tors. eta vs tors. theta energy: -180.254
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2303.997095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.997095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.332627 (E_RNA)
where:
Base-Base interactions energy: -1549.052
where: short stacking energy: -672.257
Base-Backbone interact. energy: 4.355
local terms energy: -761.635441
where:
bonds (distance) C4'-P energy: -164.148
bonds (distance) P-C4' energy: -152.439
flat angles C4'-P-C4' energy: -157.654
flat angles P-C4'-P energy: -92.955
tors. eta vs tors. theta energy: -194.441
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: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2153.431420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.431420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.115199 (E_RNA)
where:
Base-Base interactions energy: -1439.308
where: short stacking energy: -628.180
Base-Backbone interact. energy: -1.497
local terms energy: -714.309901
where:
bonds (distance) C4'-P energy: -138.658
bonds (distance) P-C4' energy: -130.100
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -103.214
tors. eta vs tors. theta energy: -176.903
Dist. restrs. and SS energy: 1.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -2044.412930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.412930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.649214 (E_RNA)
where:
Base-Base interactions energy: -1383.157
where: short stacking energy: -612.883
Base-Backbone interact. energy: -4.198
local terms energy: -660.294316
where:
bonds (distance) C4'-P energy: -124.159
bonds (distance) P-C4' energy: -125.528
flat angles C4'-P-C4' energy: -143.081
flat angles P-C4'-P energy: -79.121
tors. eta vs tors. theta energy: -188.406
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: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1969.459355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.459355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.290736 (E_RNA)
where:
Base-Base interactions energy: -1336.389
where: short stacking energy: -594.131
Base-Backbone interact. energy: -1.521
local terms energy: -635.380670
where:
bonds (distance) C4'-P energy: -116.959
bonds (distance) P-C4' energy: -149.229
flat angles C4'-P-C4' energy: -149.294
flat angles P-C4'-P energy: -66.165
tors. eta vs tors. theta energy: -153.734
Dist. restrs. and SS energy: 3.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1873.238111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.238111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.164696 (E_RNA)
where:
Base-Base interactions energy: -1264.636
where: short stacking energy: -527.054
Base-Backbone interact. energy: 0.485
local terms energy: -615.014403
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -143.733
flat angles C4'-P-C4' energy: -125.387
flat angles P-C4'-P energy: -91.647
tors. eta vs tors. theta energy: -143.717
Dist. restrs. and SS energy: 5.927 (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: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2922.716741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.570232 (E_RNA)
where:
Base-Base interactions energy: -2041.296
where: short stacking energy: -819.530
Base-Backbone interact. energy: 1.661
local terms energy: -884.935202
where:
bonds (distance) C4'-P energy: -164.363
bonds (distance) P-C4' energy: -164.178
flat angles C4'-P-C4' energy: -184.804
flat angles P-C4'-P energy: -127.149
tors. eta vs tors. theta energy: -244.442
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2846.234767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.234767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.989592 (E_RNA)
where:
Base-Base interactions energy: -1961.770
where: short stacking energy: -817.416
Base-Backbone interact. energy: -1.630
local terms energy: -885.589226
where:
bonds (distance) C4'-P energy: -152.742
bonds (distance) P-C4' energy: -169.480
flat angles C4'-P-C4' energy: -182.957
flat angles P-C4'-P energy: -133.457
tors. eta vs tors. theta energy: -246.954
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2655.076051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.076051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.265608 (E_RNA)
where:
Base-Base interactions energy: -1808.602
where: short stacking energy: -771.526
Base-Backbone interact. energy: 8.822
local terms energy: -857.485327
where:
bonds (distance) C4'-P energy: -167.459
bonds (distance) P-C4' energy: -152.983
flat angles C4'-P-C4' energy: -172.045
flat angles P-C4'-P energy: -129.221
tors. eta vs tors. theta energy: -235.777
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: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2566.702801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.702801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.940897 (E_RNA)
where:
Base-Base interactions energy: -1781.981
where: short stacking energy: -744.015
Base-Backbone interact. energy: -4.234
local terms energy: -782.726477
where:
bonds (distance) C4'-P energy: -144.490
bonds (distance) P-C4' energy: -142.629
flat angles C4'-P-C4' energy: -174.222
flat angles P-C4'-P energy: -90.382
tors. eta vs tors. theta energy: -231.004
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: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2337.190980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.190980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.836922 (E_RNA)
where:
Base-Base interactions energy: -1608.704
where: short stacking energy: -680.915
Base-Backbone interact. energy: 0.531
local terms energy: -731.663535
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -144.844
flat angles C4'-P-C4' energy: -157.070
flat angles P-C4'-P energy: -105.732
tors. eta vs tors. theta energy: -200.157
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: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2287.989801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.989801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.325526 (E_RNA)
where:
Base-Base interactions energy: -1567.068
where: short stacking energy: -682.202
Base-Backbone interact. energy: -1.307
local terms energy: -721.950491
where:
bonds (distance) C4'-P energy: -132.672
bonds (distance) P-C4' energy: -149.137
flat angles C4'-P-C4' energy: -161.543
flat angles P-C4'-P energy: -97.241
tors. eta vs tors. theta energy: -181.357
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: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2166.529984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.529984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.932332 (E_RNA)
where:
Base-Base interactions energy: -1464.764
where: short stacking energy: -597.179
Base-Backbone interact. energy: -3.853
local terms energy: -700.315584
where:
bonds (distance) C4'-P energy: -141.456
bonds (distance) P-C4' energy: -149.403
flat angles C4'-P-C4' energy: -159.429
flat angles P-C4'-P energy: -89.422
tors. eta vs tors. theta energy: -160.606
Dist. restrs. and SS energy: 2.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2017.697251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.697251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.198028 (E_RNA)
where:
Base-Base interactions energy: -1330.990
where: short stacking energy: -574.042
Base-Backbone interact. energy: -2.420
local terms energy: -687.788116
where:
bonds (distance) C4'-P energy: -132.912
bonds (distance) P-C4' energy: -143.767
flat angles C4'-P-C4' energy: -151.900
flat angles P-C4'-P energy: -101.931
tors. eta vs tors. theta energy: -157.279
Dist. restrs. and SS energy: 3.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1950.492020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.492020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.455701 (E_RNA)
where:
Base-Base interactions energy: -1334.898
where: short stacking energy: -555.885
Base-Backbone interact. energy: -0.818
local terms energy: -618.740122
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -130.559
flat angles C4'-P-C4' energy: -155.204
flat angles P-C4'-P energy: -94.615
tors. eta vs tors. theta energy: -142.949
Dist. restrs. and SS energy: 3.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1844.096260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.096260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.281202 (E_RNA)
where:
Base-Base interactions energy: -1271.855
where: short stacking energy: -517.352
Base-Backbone interact. energy: -2.290
local terms energy: -573.136130
where:
bonds (distance) C4'-P energy: -105.673
bonds (distance) P-C4' energy: -107.570
flat angles C4'-P-C4' energy: -135.295
flat angles P-C4'-P energy: -85.561
tors. eta vs tors. theta energy: -139.037
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: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2936.812298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.812298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.964759 (E_RNA)
where:
Base-Base interactions energy: -2069.181
where: short stacking energy: -877.896
Base-Backbone interact. energy: -2.348
local terms energy: -866.436441
where:
bonds (distance) C4'-P energy: -159.628
bonds (distance) P-C4' energy: -154.028
flat angles C4'-P-C4' energy: -182.277
flat angles P-C4'-P energy: -126.518
tors. eta vs tors. theta energy: -243.986
Dist. restrs. and SS energy: 1.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2826.601011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.601011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.367177 (E_RNA)
where:
Base-Base interactions energy: -1976.967
where: short stacking energy: -828.972
Base-Backbone interact. energy: -2.027
local terms energy: -849.373026
where:
bonds (distance) C4'-P energy: -152.908
bonds (distance) P-C4' energy: -149.569
flat angles C4'-P-C4' energy: -185.560
flat angles P-C4'-P energy: -116.295
tors. eta vs tors. theta energy: -245.041
Dist. restrs. and SS energy: 1.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2670.724545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.724545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.702698 (E_RNA)
where:
Base-Base interactions energy: -1862.082
where: short stacking energy: -778.551
Base-Backbone interact. energy: -1.983
local terms energy: -808.637630
where:
bonds (distance) C4'-P energy: -154.793
bonds (distance) P-C4' energy: -147.544
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -222.677
Dist. restrs. and SS energy: 1.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2587.584430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.584430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.426691 (E_RNA)
where:
Base-Base interactions energy: -1778.056
where: short stacking energy: -774.857
Base-Backbone interact. energy: -3.486
local terms energy: -807.884234
where:
bonds (distance) C4'-P energy: -140.543
bonds (distance) P-C4' energy: -155.041
flat angles C4'-P-C4' energy: -172.408
flat angles P-C4'-P energy: -119.494
tors. eta vs tors. theta energy: -220.398
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: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2327.981634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.981634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.302012 (E_RNA)
where:
Base-Base interactions energy: -1566.358
where: short stacking energy: -661.129
Base-Backbone interact. energy: 0.411
local terms energy: -764.355042
where:
bonds (distance) C4'-P energy: -160.528
bonds (distance) P-C4' energy: -144.597
flat angles C4'-P-C4' energy: -166.616
flat angles P-C4'-P energy: -107.214
tors. eta vs tors. theta energy: -185.400
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: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2293.846565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.846565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.191516 (E_RNA)
where:
Base-Base interactions energy: -1576.905
where: short stacking energy: -662.208
Base-Backbone interact. energy: 0.344
local terms energy: -718.630124
where:
bonds (distance) C4'-P energy: -131.509
bonds (distance) P-C4' energy: -139.902
flat angles C4'-P-C4' energy: -156.529
flat angles P-C4'-P energy: -100.255
tors. eta vs tors. theta energy: -190.434
Dist. restrs. and SS energy: 1.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2116.701901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.701901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.794596 (E_RNA)
where:
Base-Base interactions energy: -1438.753
where: short stacking energy: -611.388
Base-Backbone interact. energy: 2.198
local terms energy: -682.239666
where:
bonds (distance) C4'-P energy: -134.331
bonds (distance) P-C4' energy: -129.226
flat angles C4'-P-C4' energy: -161.933
flat angles P-C4'-P energy: -85.711
tors. eta vs tors. theta energy: -171.040
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1981.627533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.627533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.223470 (E_RNA)
where:
Base-Base interactions energy: -1352.601
where: short stacking energy: -538.914
Base-Backbone interact. energy: -1.089
local terms energy: -629.533436
where:
bonds (distance) C4'-P energy: -126.039
bonds (distance) P-C4' energy: -142.162
flat angles C4'-P-C4' energy: -147.041
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -135.775
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1927.181846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.181846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.354472 (E_RNA)
where:
Base-Base interactions energy: -1317.881
where: short stacking energy: -554.668
Base-Backbone interact. energy: -0.810
local terms energy: -611.663656
where:
bonds (distance) C4'-P energy: -132.839
bonds (distance) P-C4' energy: -114.457
flat angles C4'-P-C4' energy: -147.256
flat angles P-C4'-P energy: -81.856
tors. eta vs tors. theta energy: -135.256
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: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1818.417631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.417631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.291798 (E_RNA)
where:
Base-Base interactions energy: -1246.194
where: short stacking energy: -491.215
Base-Backbone interact. energy: 2.993
local terms energy: -579.090806
where:
bonds (distance) C4'-P energy: -122.369
bonds (distance) P-C4' energy: -131.023
flat angles C4'-P-C4' energy: -128.013
flat angles P-C4'-P energy: -82.185
tors. eta vs tors. theta energy: -115.501
Dist. restrs. and SS energy: 3.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2929.525649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.525649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.178144 (E_RNA)
where:
Base-Base interactions energy: -2034.368
where: short stacking energy: -827.448
Base-Backbone interact. energy: -4.638
local terms energy: -892.172562
where:
bonds (distance) C4'-P energy: -168.170
bonds (distance) P-C4' energy: -167.285
flat angles C4'-P-C4' energy: -185.556
flat angles P-C4'-P energy: -130.207
tors. eta vs tors. theta energy: -240.954
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2848.615376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.615376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.101231 (E_RNA)
where:
Base-Base interactions energy: -2006.421
where: short stacking energy: -838.135
Base-Backbone interact. energy: -5.114
local terms energy: -839.566868
where:
bonds (distance) C4'-P energy: -157.059
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -182.126
flat angles P-C4'-P energy: -117.541
tors. eta vs tors. theta energy: -245.115
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: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2665.159787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.159787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.286738 (E_RNA)
where:
Base-Base interactions energy: -1848.659
where: short stacking energy: -788.003
Base-Backbone interact. energy: 3.511
local terms energy: -821.138674
where:
bonds (distance) C4'-P energy: -146.317
bonds (distance) P-C4' energy: -161.223
flat angles C4'-P-C4' energy: -169.244
flat angles P-C4'-P energy: -125.952
tors. eta vs tors. theta energy: -218.403
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2638.923305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.923305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.166660 (E_RNA)
where:
Base-Base interactions energy: -1838.152
where: short stacking energy: -755.623
Base-Backbone interact. energy: -0.994
local terms energy: -802.020921
where:
bonds (distance) C4'-P energy: -148.624
bonds (distance) P-C4' energy: -141.973
flat angles C4'-P-C4' energy: -172.463
flat angles P-C4'-P energy: -113.242
tors. eta vs tors. theta energy: -225.720
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2376.638051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.638051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.347994 (E_RNA)
where:
Base-Base interactions energy: -1612.208
where: short stacking energy: -687.103
Base-Backbone interact. energy: -0.912
local terms energy: -766.227939
where:
bonds (distance) C4'-P energy: -143.027
bonds (distance) P-C4' energy: -139.838
flat angles C4'-P-C4' energy: -160.167
flat angles P-C4'-P energy: -112.856
tors. eta vs tors. theta energy: -210.340
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: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2270.740357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.740357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.410097 (E_RNA)
where:
Base-Base interactions energy: -1527.082
where: short stacking energy: -667.968
Base-Backbone interact. energy: -0.122
local terms energy: -746.206042
where:
bonds (distance) C4'-P energy: -148.113
bonds (distance) P-C4' energy: -141.514
flat angles C4'-P-C4' energy: -167.517
flat angles P-C4'-P energy: -91.789
tors. eta vs tors. theta energy: -197.274
Dist. restrs. and SS energy: 2.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -2114.048224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.048224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.757364 (E_RNA)
where:
Base-Base interactions energy: -1407.685
where: short stacking energy: -623.166
Base-Backbone interact. energy: 4.998
local terms energy: -714.069944
where:
bonds (distance) C4'-P energy: -140.017
bonds (distance) P-C4' energy: -145.264
flat angles C4'-P-C4' energy: -144.868
flat angles P-C4'-P energy: -98.805
tors. eta vs tors. theta energy: -185.115
Dist. restrs. and SS energy: 2.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2064.251546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.251546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.195504 (E_RNA)
where:
Base-Base interactions energy: -1399.607
where: short stacking energy: -580.828
Base-Backbone interact. energy: -0.238
local terms energy: -666.350693
where:
bonds (distance) C4'-P energy: -141.373
bonds (distance) P-C4' energy: -124.376
flat angles C4'-P-C4' energy: -159.289
flat angles P-C4'-P energy: -90.022
tors. eta vs tors. theta energy: -151.290
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1946.492967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.492967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.398402 (E_RNA)
where:
Base-Base interactions energy: -1340.451
where: short stacking energy: -576.913
Base-Backbone interact. energy: -2.037
local terms energy: -607.910587
where:
bonds (distance) C4'-P energy: -109.166
bonds (distance) P-C4' energy: -129.847
flat angles C4'-P-C4' energy: -135.558
flat angles P-C4'-P energy: -77.665
tors. eta vs tors. theta energy: -155.674
Dist. restrs. and SS energy: 3.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1834.056696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.056696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.245004 (E_RNA)
where:
Base-Base interactions energy: -1232.072
where: short stacking energy: -511.606
Base-Backbone interact. energy: -1.945
local terms energy: -605.227615
where:
bonds (distance) C4'-P energy: -139.235
bonds (distance) P-C4' energy: -134.451
flat angles C4'-P-C4' energy: -122.695
flat angles P-C4'-P energy: -91.339
tors. eta vs tors. theta energy: -117.509
Dist. restrs. and SS energy: 5.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2927.834612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.834612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.518624 (E_RNA)
where:
Base-Base interactions energy: -2037.712
where: short stacking energy: -830.226
Base-Backbone interact. energy: -4.304
local terms energy: -886.502204
where:
bonds (distance) C4'-P energy: -150.612
bonds (distance) P-C4' energy: -159.682
flat angles C4'-P-C4' energy: -191.179
flat angles P-C4'-P energy: -137.794
tors. eta vs tors. theta energy: -247.235
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: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2888.365392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.365392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.127661 (E_RNA)
where:
Base-Base interactions energy: -2012.808
where: short stacking energy: -835.754
Base-Backbone interact. energy: -5.608
local terms energy: -871.711805
where:
bonds (distance) C4'-P energy: -178.075
bonds (distance) P-C4' energy: -151.205
flat angles C4'-P-C4' energy: -177.879
flat angles P-C4'-P energy: -111.428
tors. eta vs tors. theta energy: -253.125
Dist. restrs. and SS energy: 1.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2659.238907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.238907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.038724 (E_RNA)
where:
Base-Base interactions energy: -1829.655
where: short stacking energy: -785.714
Base-Backbone interact. energy: 0.400
local terms energy: -831.783859
where:
bonds (distance) C4'-P energy: -156.163
bonds (distance) P-C4' energy: -145.361
flat angles C4'-P-C4' energy: -174.763
flat angles P-C4'-P energy: -127.858
tors. eta vs tors. theta energy: -227.638
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: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2591.639859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.639859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.968487 (E_RNA)
where:
Base-Base interactions energy: -1780.839
where: short stacking energy: -776.527
Base-Backbone interact. energy: -6.397
local terms energy: -805.733100
where:
bonds (distance) C4'-P energy: -143.655
bonds (distance) P-C4' energy: -135.336
flat angles C4'-P-C4' energy: -183.348
flat angles P-C4'-P energy: -111.209
tors. eta vs tors. theta energy: -232.185
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: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2351.917382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.917382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.439027 (E_RNA)
where:
Base-Base interactions energy: -1615.422
where: short stacking energy: -681.541
Base-Backbone interact. energy: -1.769
local terms energy: -736.247414
where:
bonds (distance) C4'-P energy: -148.505
bonds (distance) P-C4' energy: -129.915
flat angles C4'-P-C4' energy: -162.773
flat angles P-C4'-P energy: -88.561
tors. eta vs tors. theta energy: -206.493
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2135.146978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.146978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.368264 (E_RNA)
where:
Base-Base interactions energy: -1434.092
where: short stacking energy: -636.003
Base-Backbone interact. energy: 1.593
local terms energy: -704.868536
where:
bonds (distance) C4'-P energy: -146.018
bonds (distance) P-C4' energy: -123.546
flat angles C4'-P-C4' energy: -157.188
flat angles P-C4'-P energy: -110.529
tors. eta vs tors. theta energy: -167.587
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: 497
Temperature: 1.200000
Total energy: -2231.609247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.609247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.492845 (E_RNA)
where:
Base-Base interactions energy: -1523.708
where: short stacking energy: -634.971
Base-Backbone interact. energy: -2.968
local terms energy: -707.817141
where:
bonds (distance) C4'-P energy: -128.546
bonds (distance) P-C4' energy: -158.613
flat angles C4'-P-C4' energy: -154.638
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -177.272
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: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -2052.884481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.884481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.488511 (E_RNA)
where:
Base-Base interactions energy: -1379.636
where: short stacking energy: -597.149
Base-Backbone interact. energy: -3.666
local terms energy: -673.186501
where:
bonds (distance) C4'-P energy: -140.492
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -139.402
flat angles P-C4'-P energy: -101.062
tors. eta vs tors. theta energy: -165.571
Dist. restrs. and SS energy: 3.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1959.699132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.699132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.279808 (E_RNA)
where:
Base-Base interactions energy: -1354.556
where: short stacking energy: -568.519
Base-Backbone interact. energy: -4.278
local terms energy: -603.445354
where:
bonds (distance) C4'-P energy: -110.303
bonds (distance) P-C4' energy: -132.071
flat angles C4'-P-C4' energy: -140.583
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -147.421
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: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1780.830509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.830509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.091035 (E_RNA)
where:
Base-Base interactions energy: -1226.877
where: short stacking energy: -524.090
Base-Backbone interact. energy: -1.233
local terms energy: -559.980401
where:
bonds (distance) C4'-P energy: -108.354
bonds (distance) P-C4' energy: -118.746
flat angles C4'-P-C4' energy: -131.759
flat angles P-C4'-P energy: -78.872
tors. eta vs tors. theta energy: -122.249
Dist. restrs. and SS energy: 7.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2916.507883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.507883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.674798 (E_RNA)
where:
Base-Base interactions energy: -2047.364
where: short stacking energy: -829.891
Base-Backbone interact. energy: -1.186
local terms energy: -869.124522
where:
bonds (distance) C4'-P energy: -158.094
bonds (distance) P-C4' energy: -163.154
flat angles C4'-P-C4' energy: -188.957
flat angles P-C4'-P energy: -122.842
tors. eta vs tors. theta energy: -236.077
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2839.428478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.428478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.614170 (E_RNA)
where:
Base-Base interactions energy: -1992.382
where: short stacking energy: -836.830
Base-Backbone interact. energy: -7.043
local terms energy: -842.189239
where:
bonds (distance) C4'-P energy: -154.896
bonds (distance) P-C4' energy: -156.020
flat angles C4'-P-C4' energy: -175.168
flat angles P-C4'-P energy: -113.292
tors. eta vs tors. theta energy: -242.812
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: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2648.626753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.626753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.316707 (E_RNA)
where:
Base-Base interactions energy: -1795.816
where: short stacking energy: -748.834
Base-Backbone interact. energy: -1.145
local terms energy: -853.356361
where:
bonds (distance) C4'-P energy: -158.497
bonds (distance) P-C4' energy: -173.388
flat angles C4'-P-C4' energy: -180.919
flat angles P-C4'-P energy: -122.942
tors. eta vs tors. theta energy: -217.611
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2640.784315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.784315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.199494 (E_RNA)
where:
Base-Base interactions energy: -1829.334
where: short stacking energy: -761.559
Base-Backbone interact. energy: -2.044
local terms energy: -810.821908
where:
bonds (distance) C4'-P energy: -149.245
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -176.327
flat angles P-C4'-P energy: -104.984
tors. eta vs tors. theta energy: -238.527
Dist. restrs. and SS energy: 1.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2405.504046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.504046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.349488 (E_RNA)
where:
Base-Base interactions energy: -1622.935
where: short stacking energy: -715.663
Base-Backbone interact. energy: -4.616
local terms energy: -780.798090
where:
bonds (distance) C4'-P energy: -149.206
bonds (distance) P-C4' energy: -151.223
flat angles C4'-P-C4' energy: -169.159
flat angles P-C4'-P energy: -104.769
tors. eta vs tors. theta energy: -206.441
Dist. restrs. and SS energy: 2.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2159.809178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.809178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.170243 (E_RNA)
where:
Base-Base interactions energy: -1439.987
where: short stacking energy: -620.591
Base-Backbone interact. energy: 0.747
local terms energy: -722.930426
where:
bonds (distance) C4'-P energy: -145.036
bonds (distance) P-C4' energy: -149.507
flat angles C4'-P-C4' energy: -164.839
flat angles P-C4'-P energy: -96.385
tors. eta vs tors. theta energy: -167.164
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2160.140495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.140495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.720592 (E_RNA)
where:
Base-Base interactions energy: -1470.111
where: short stacking energy: -622.813
Base-Backbone interact. energy: -0.284
local terms energy: -692.325176
where:
bonds (distance) C4'-P energy: -125.946
bonds (distance) P-C4' energy: -148.668
flat angles C4'-P-C4' energy: -158.184
flat angles P-C4'-P energy: -112.965
tors. eta vs tors. theta energy: -146.561
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -2065.813735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.678237 (E_RNA)
where:
Base-Base interactions energy: -1414.722
where: short stacking energy: -578.496
Base-Backbone interact. energy: -2.923
local terms energy: -651.033401
where:
bonds (distance) C4'-P energy: -120.010
bonds (distance) P-C4' energy: -127.851
flat angles C4'-P-C4' energy: -165.180
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -150.739
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: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1950.427015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.427015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.124086 (E_RNA)
where:
Base-Base interactions energy: -1323.071
where: short stacking energy: -536.123
Base-Backbone interact. energy: -2.537
local terms energy: -627.515715
where:
bonds (distance) C4'-P energy: -127.172
bonds (distance) P-C4' energy: -150.972
flat angles C4'-P-C4' energy: -143.143
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -126.927
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: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1821.921967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.921967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.387375 (E_RNA)
where:
Base-Base interactions energy: -1264.135
where: short stacking energy: -527.849
Base-Backbone interact. energy: -2.153
local terms energy: -562.099388
where:
bonds (distance) C4'-P energy: -123.512
bonds (distance) P-C4' energy: -117.425
flat angles C4'-P-C4' energy: -121.410
flat angles P-C4'-P energy: -70.110
tors. eta vs tors. theta energy: -129.643
Dist. restrs. and SS energy: 6.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2958.446193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2958.446193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2960.452046 (E_RNA)
where:
Base-Base interactions energy: -2061.746
where: short stacking energy: -847.753
Base-Backbone interact. energy: -0.671
local terms energy: -898.035391
where:
bonds (distance) C4'-P energy: -157.678
bonds (distance) P-C4' energy: -164.788
flat angles C4'-P-C4' energy: -197.133
flat angles P-C4'-P energy: -131.434
tors. eta vs tors. theta energy: -247.003
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: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2889.475293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.475293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.086775 (E_RNA)
where:
Base-Base interactions energy: -2036.332
where: short stacking energy: -835.910
Base-Backbone interact. energy: -2.698
local terms energy: -853.057019
where:
bonds (distance) C4'-P energy: -157.455
bonds (distance) P-C4' energy: -140.510
flat angles C4'-P-C4' energy: -184.090
flat angles P-C4'-P energy: -128.393
tors. eta vs tors. theta energy: -242.608
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: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2656.981718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.981718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.092856 (E_RNA)
where:
Base-Base interactions energy: -1836.528
where: short stacking energy: -787.480
Base-Backbone interact. energy: -1.311
local terms energy: -822.254112
where:
bonds (distance) C4'-P energy: -153.791
bonds (distance) P-C4' energy: -156.235
flat angles C4'-P-C4' energy: -175.936
flat angles P-C4'-P energy: -111.435
tors. eta vs tors. theta energy: -224.857
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: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2647.543432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.543432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.301043 (E_RNA)
where:
Base-Base interactions energy: -1799.141
where: short stacking energy: -781.288
Base-Backbone interact. energy: -3.744
local terms energy: -846.415544
where:
bonds (distance) C4'-P energy: -160.733
bonds (distance) P-C4' energy: -171.163
flat angles C4'-P-C4' energy: -181.824
flat angles P-C4'-P energy: -104.155
tors. eta vs tors. theta energy: -228.541
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: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2351.444084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.444084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.735071 (E_RNA)
where:
Base-Base interactions energy: -1601.195
where: short stacking energy: -691.361
Base-Backbone interact. energy: -3.611
local terms energy: -748.929666
where:
bonds (distance) C4'-P energy: -144.976
bonds (distance) P-C4' energy: -142.013
flat angles C4'-P-C4' energy: -174.131
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -188.932
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: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2274.159222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.159222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.764147 (E_RNA)
where:
Base-Base interactions energy: -1566.763
where: short stacking energy: -650.427
Base-Backbone interact. energy: -1.470
local terms energy: -709.530928
where:
bonds (distance) C4'-P energy: -121.043
bonds (distance) P-C4' energy: -149.373
flat angles C4'-P-C4' energy: -163.960
flat angles P-C4'-P energy: -101.408
tors. eta vs tors. theta energy: -173.747
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: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2143.421733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.548525 (E_RNA)
where:
Base-Base interactions energy: -1419.501
where: short stacking energy: -609.395
Base-Backbone interact. energy: 3.200
local terms energy: -729.247249
where:
bonds (distance) C4'-P energy: -138.460
bonds (distance) P-C4' energy: -154.945
flat angles C4'-P-C4' energy: -166.248
flat angles P-C4'-P energy: -103.771
tors. eta vs tors. theta energy: -165.823
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: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2014.963560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.963560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.488578 (E_RNA)
where:
Base-Base interactions energy: -1357.566
where: short stacking energy: -559.428
Base-Backbone interact. energy: -1.104
local terms energy: -658.818483
where:
bonds (distance) C4'-P energy: -134.426
bonds (distance) P-C4' energy: -140.517
flat angles C4'-P-C4' energy: -144.455
flat angles P-C4'-P energy: -92.330
tors. eta vs tors. theta energy: -147.090
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: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1938.876599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.876599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.074204 (E_RNA)
where:
Base-Base interactions energy: -1287.843
where: short stacking energy: -555.573
Base-Backbone interact. energy: 1.130
local terms energy: -656.360707
where:
bonds (distance) C4'-P energy: -136.998
bonds (distance) P-C4' energy: -132.622
flat angles C4'-P-C4' energy: -149.537
flat angles P-C4'-P energy: -104.454
tors. eta vs tors. theta energy: -132.749
Dist. restrs. and SS energy: 4.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1839.372714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.372714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.037926 (E_RNA)
where:
Base-Base interactions energy: -1269.038
where: short stacking energy: -511.906
Base-Backbone interact. energy: 0.265
local terms energy: -573.265357
where:
bonds (distance) C4'-P energy: -131.609
bonds (distance) P-C4' energy: -122.013
flat angles C4'-P-C4' energy: -134.410
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -112.564
Dist. restrs. and SS energy: 2.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2926.062062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.062062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.986992 (E_RNA)
where:
Base-Base interactions energy: -2063.620
where: short stacking energy: -865.768
Base-Backbone interact. energy: -0.614
local terms energy: -863.752693
where:
bonds (distance) C4'-P energy: -162.802
bonds (distance) P-C4' energy: -153.130
flat angles C4'-P-C4' energy: -176.135
flat angles P-C4'-P energy: -124.213
tors. eta vs tors. theta energy: -247.472
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: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2871.822360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2871.822360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.030854 (E_RNA)
where:
Base-Base interactions energy: -2021.875
where: short stacking energy: -824.531
Base-Backbone interact. energy: -5.941
local terms energy: -846.215050
where:
bonds (distance) C4'-P energy: -155.627
bonds (distance) P-C4' energy: -157.248
flat angles C4'-P-C4' energy: -186.317
flat angles P-C4'-P energy: -107.994
tors. eta vs tors. theta energy: -239.029
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: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2665.791443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.791443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.600472 (E_RNA)
where:
Base-Base interactions energy: -1852.238
where: short stacking energy: -780.632
Base-Backbone interact. energy: -2.254
local terms energy: -813.108565
where:
bonds (distance) C4'-P energy: -145.975
bonds (distance) P-C4' energy: -142.742
flat angles C4'-P-C4' energy: -176.747
flat angles P-C4'-P energy: -124.162
tors. eta vs tors. theta energy: -223.483
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: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2676.269147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.269147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.653551 (E_RNA)
where:
Base-Base interactions energy: -1841.444
where: short stacking energy: -797.351
Base-Backbone interact. energy: -3.137
local terms energy: -833.072448
where:
bonds (distance) C4'-P energy: -145.209
bonds (distance) P-C4' energy: -147.575
flat angles C4'-P-C4' energy: -161.430
flat angles P-C4'-P energy: -126.901
tors. eta vs tors. theta energy: -251.957
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: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2371.977497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.977497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.148812 (E_RNA)
where:
Base-Base interactions energy: -1637.352
where: short stacking energy: -680.745
Base-Backbone interact. energy: -0.028
local terms energy: -735.768177
where:
bonds (distance) C4'-P energy: -134.046
bonds (distance) P-C4' energy: -156.214
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -89.837
tors. eta vs tors. theta energy: -198.728
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: 6, replica: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2248.391210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.391210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.208803 (E_RNA)
where:
Base-Base interactions energy: -1525.053
where: short stacking energy: -627.224
Base-Backbone interact. energy: 3.364
local terms energy: -729.519703
where:
bonds (distance) C4'-P energy: -129.775
bonds (distance) P-C4' energy: -144.332
flat angles C4'-P-C4' energy: -173.016
flat angles P-C4'-P energy: -102.695
tors. eta vs tors. theta energy: -179.702
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2070.115144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.115144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.455647 (E_RNA)
where:
Base-Base interactions energy: -1399.432
where: short stacking energy: -597.244
Base-Backbone interact. energy: -1.568
local terms energy: -671.455661
where:
bonds (distance) C4'-P energy: -129.133
bonds (distance) P-C4' energy: -119.952
flat angles C4'-P-C4' energy: -155.101
flat angles P-C4'-P energy: -108.514
tors. eta vs tors. theta energy: -158.755
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: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2026.027263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.027263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.218181 (E_RNA)
where:
Base-Base interactions energy: -1419.129
where: short stacking energy: -601.313
Base-Backbone interact. energy: 0.564
local terms energy: -609.653675
where:
bonds (distance) C4'-P energy: -114.590
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -151.276
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -144.783
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: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1932.142195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.142195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.601716 (E_RNA)
where:
Base-Base interactions energy: -1316.695
where: short stacking energy: -565.965
Base-Backbone interact. energy: -2.249
local terms energy: -614.657586
where:
bonds (distance) C4'-P energy: -128.441
bonds (distance) P-C4' energy: -129.962
flat angles C4'-P-C4' energy: -144.059
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -138.066
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: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1878.453372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.453372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.672418 (E_RNA)
where:
Base-Base interactions energy: -1269.972
where: short stacking energy: -527.217
Base-Backbone interact. energy: -1.148
local terms energy: -609.552460
where:
bonds (distance) C4'-P energy: -121.856
bonds (distance) P-C4' energy: -136.939
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -86.144
tors. eta vs tors. theta energy: -139.499
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2967.342369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.342369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2970.147299 (E_RNA)
where:
Base-Base interactions energy: -2054.247
where: short stacking energy: -867.640
Base-Backbone interact. energy: -2.440
local terms energy: -913.460239
where:
bonds (distance) C4'-P energy: -163.593
bonds (distance) P-C4' energy: -168.206
flat angles C4'-P-C4' energy: -188.282
flat angles P-C4'-P energy: -128.039
tors. eta vs tors. theta energy: -265.341
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: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2897.192916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.192916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.058767 (E_RNA)
where:
Base-Base interactions energy: -2032.563
where: short stacking energy: -831.845
Base-Backbone interact. energy: -0.730
local terms energy: -864.764914
where:
bonds (distance) C4'-P energy: -158.431
bonds (distance) P-C4' energy: -152.549
flat angles C4'-P-C4' energy: -182.671
flat angles P-C4'-P energy: -119.743
tors. eta vs tors. theta energy: -251.372
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2669.987364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.987364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.464895 (E_RNA)
where:
Base-Base interactions energy: -1820.245
where: short stacking energy: -787.099
Base-Backbone interact. energy: -0.539
local terms energy: -850.681267
where:
bonds (distance) C4'-P energy: -149.112
bonds (distance) P-C4' energy: -160.676
flat angles C4'-P-C4' energy: -188.290
flat angles P-C4'-P energy: -114.756
tors. eta vs tors. theta energy: -237.847
Dist. restrs. and SS energy: 1.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2672.804156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.804156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.768627 (E_RNA)
where:
Base-Base interactions energy: -1843.990
where: short stacking energy: -810.051
Base-Backbone interact. energy: -3.078
local terms energy: -827.700875
where:
bonds (distance) C4'-P energy: -155.546
bonds (distance) P-C4' energy: -143.894
flat angles C4'-P-C4' energy: -156.267
flat angles P-C4'-P energy: -123.923
tors. eta vs tors. theta energy: -248.071
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: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2398.898345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.898345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.536464 (E_RNA)
where:
Base-Base interactions energy: -1651.175
where: short stacking energy: -713.561
Base-Backbone interact. energy: -2.009
local terms energy: -748.352675
where:
bonds (distance) C4'-P energy: -145.046
bonds (distance) P-C4' energy: -135.408
flat angles C4'-P-C4' energy: -164.527
flat angles P-C4'-P energy: -108.767
tors. eta vs tors. theta energy: -194.606
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: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2246.024250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.024250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.195569 (E_RNA)
where:
Base-Base interactions energy: -1537.535
where: short stacking energy: -644.556
Base-Backbone interact. energy: 2.700
local terms energy: -714.360461
where:
bonds (distance) C4'-P energy: -147.392
bonds (distance) P-C4' energy: -131.229
flat angles C4'-P-C4' energy: -162.214
flat angles P-C4'-P energy: -99.024
tors. eta vs tors. theta energy: -174.501
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -2078.716084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.716084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.075725 (E_RNA)
where:
Base-Base interactions energy: -1381.007
where: short stacking energy: -579.184
Base-Backbone interact. energy: 1.199
local terms energy: -702.268504
where:
bonds (distance) C4'-P energy: -140.565
bonds (distance) P-C4' energy: -152.159
flat angles C4'-P-C4' energy: -168.601
flat angles P-C4'-P energy: -97.872
tors. eta vs tors. theta energy: -143.071
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -2038.745446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.745446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.518650 (E_RNA)
where:
Base-Base interactions energy: -1388.380
where: short stacking energy: -610.495
Base-Backbone interact. energy: 0.179
local terms energy: -653.317301
where:
bonds (distance) C4'-P energy: -135.945
bonds (distance) P-C4' energy: -120.889
flat angles C4'-P-C4' energy: -164.242
flat angles P-C4'-P energy: -91.303
tors. eta vs tors. theta energy: -140.939
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: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1913.060569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.060569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.155138 (E_RNA)
where:
Base-Base interactions energy: -1303.885
where: short stacking energy: -550.104
Base-Backbone interact. energy: 0.450
local terms energy: -613.720488
where:
bonds (distance) C4'-P energy: -124.604
bonds (distance) P-C4' energy: -134.662
flat angles C4'-P-C4' energy: -140.167
flat angles P-C4'-P energy: -82.107
tors. eta vs tors. theta energy: -132.181
Dist. restrs. and SS energy: 4.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -1931.727621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.727621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.298704 (E_RNA)
where:
Base-Base interactions energy: -1323.601
where: short stacking energy: -563.670
Base-Backbone interact. energy: -3.772
local terms energy: -607.926172
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -129.715
flat angles C4'-P-C4' energy: -121.426
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -141.215
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 157205440
moves confirmed later: 178406159
all moves confirmed: 335611599
percent of confirmed moves: 41.951450
current total energy: -2779.755360
recalc. total energy: -2779.755360
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 126928013
moves confirmed later: 137878759
all moves confirmed: 264806772
percent of confirmed moves: 33.100847
current total energy: -2809.238573
recalc. total energy: -2809.238573
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 142349183
moves confirmed later: 157980951
all moves confirmed: 300330134
percent of confirmed moves: 37.541267
current total energy: -2580.092853
recalc. total energy: -2580.092853
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 125419143
moves confirmed later: 135409583
all moves confirmed: 260828726
percent of confirmed moves: 32.603591
current total energy: -2497.147166
recalc. total energy: -2497.147166
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 174862096
moves confirmed later: 202154451
all moves confirmed: 377016547
percent of confirmed moves: 47.127068
current total energy: -2234.630644
recalc. total energy: -2234.630644
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 152615959
moves confirmed later: 171631733
all moves confirmed: 324247692
percent of confirmed moves: 40.530961
current total energy: -2185.655758
recalc. total energy: -2185.655758
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 173205341
moves confirmed later: 199874292
all moves confirmed: 373079633
percent of confirmed moves: 46.634954
current total energy: -1944.770739
recalc. total energy: -1944.770739
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 185457162
moves confirmed later: 216697633
all moves confirmed: 402154795
percent of confirmed moves: 50.269349
current total energy: -1824.884279
recalc. total energy: -1824.884279
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 175308805
moves confirmed later: 202536448
all moves confirmed: 377845253
percent of confirmed moves: 47.230657
current total energy: -1783.273422
recalc. total energy: -1783.273422
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 182491849
moves confirmed later: 212404291
all moves confirmed: 394896140
percent of confirmed moves: 49.362018
current total energy: -1770.411594
recalc. total energy: -1770.411594
out arg RESULTS//1/test-a97498f1_01
Time of doing 8000000 iterations: 59320.499 seconds